smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(C)CCn1c(Cn2nc3ccccc3n2)nc2cc(C(F)(F)F)ccc21 1656591 CHDHEQVOFUWVJH-UHFFFAOYSA-N 388.397 3.410 0 1 GGAF CSC1=Nc2ccccc2C2=N[C@@H](CN3CCN(c4ccccc4)CC3)CN12 100740198 PLRBHBBTDYEFEG-KRWDZBQOSA-N 391.544 3.304 0 1 GGAF O=C(NC(=O)c1nc2cc(F)ccc2[nH]1)Nc1ccc(Br)cc1 103289209 KQYCNJGOJOZNAN-UHFFFAOYSA-N 377.173 3.426 0 1 GGAF Nc1ncnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CC2 101469154 DVHSQIPHRVBFFO-OKILXGFUSA-N 380.448 3.010 0 1 GGAF COc1ccc(CC(=O)N2CC[C@@H]3COC(=O)N3c3cc(F)ccc3C2)cc1 2356548909 JHYZDPFBKVJSHK-QGZVFWFLSA-N 384.407 3.135 0 1 GGAF COC(=O)Cc1cc2c(cc1[C@H]1[C@@H](C)c3ccc4c(c3CN1C)OCO4)OCO2 14930646 QTJGELCKRFLMOF-LAJNKCICSA-N 397.427 3.150 0 1 GGAF biogenic CN1CC[C@]23Cc4nc5cc(F)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 95559612 HBJVMWWOGZBGDL-WXFUMESZSA-N 390.458 3.107 0 1 GGAF [C-]#[N+]c1ccc(NC[C@@H]2CCCN2C[C@H](O)c2ccc3c(c2C)COC3=O)nc1 261100023 GEEMYPXYKAFEDX-JXFKEZNVSA-N 392.459 3.221 0 1 GGAF CCCCC[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)SC[C@@H](N)C(=O)O 299853804 QFKIYSGYJHNORJ-DLBZAZTESA-N 397.537 3.387 0 1 GGAF CCn1cc(COCc2c(-c3ccc(OC)cc3)nc3sc(C)nn23)nn1 473248361 NHAOVNPBYBUXOG-UHFFFAOYSA-N 384.465 3.103 0 1 GGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc5cn[nH]c5cc4[nH]3)cc12 587036820 ALUZIXZKDBZUII-VIFPVBQESA-N 379.449 3.187 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(O)cc2)N1 587832926 LHFLRCDHMNYKQI-VVVCHXIZSA-N 380.213 3.156 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)N4CCCC4)cc1)[C@@H](C2)C3=O 587440634 BMSXRYIWGLWJMN-MBSDFSHPSA-N 393.439 3.185 0 1 GGAF CN1CCN(c2ccc3nc([C@@]4(C)C=C(c5ccccc5F)NO4)[nH]c3c2)CC1 587154763 GORNUVAOARKHPG-JOCHJYFZSA-N 393.466 3.245 0 1 GGAF CC(C)(C)NS(=O)(=O)c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)nc1 587876684 VREJLIBKGVLEOP-UHFFFAOYSA-N 388.424 3.256 0 1 GGAF COC(=O)c1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2n1 587222253 JCWRTDPROJWRGW-GOSISDBHSA-N 386.411 3.264 0 1 GGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cccc(C(=O)O)c4[nH]3)CC2)cc1 586955593 SEGDZABKOVUZJI-UHFFFAOYSA-N 399.472 3.138 0 1 GGAF CN=c1[nH]c(SC)ncc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587845974 PDISTUFWMWBVAR-RMLUDKJBSA-N 397.317 3.187 0 1 GGAF N=C(N)c1ccc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc1 14957476 FBJWMDIGYYDMGL-IBGZPJMESA-N 385.471 3.463 0 1 GGAF CC(C)C(=O)N1CC[C@@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 168009451 KONWNNYUEMJZFS-HXUWFJFHSA-N 394.475 3.265 0 1 GGAF CC[C@H](C)[C@H]1Nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2NC1=O 6785581 XGCVCZCMGITBDB-HXPMCKFVSA-N 381.432 3.124 0 3 GGAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc2C1)c1ccccc1 2356298082 SGNQDVJRDGBDAL-GMKZXUHWSA-N 389.543 3.185 0 1 GGAF OCCN1c2cc(C(F)(F)F)ccc2CC12CCN(CC1CCOCC1)CC2 1911583997 REWFKXHHWWGPPF-UHFFFAOYSA-N 398.469 3.321 0 1 GGAF COc1cccc(N2CCN(CCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1 52716763 WUEHCYPOVQCXIO-UHFFFAOYSA-N 384.505 3.435 0 1 GGAF Cc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@@H]3C2)cc1 20098555 LGHNSILAIFKICR-RTWAWAEBSA-N 380.540 3.356 0 3 GGAF O=C(O)c1ccccc1NC(=O)N1CCCN(c2cnc3ccccc3n2)CC1 28969730 FFSVVDFJASBTMW-UHFFFAOYSA-N 391.431 3.072 0 1 GGAF COc1cc2[nH]c(=S)n(CCCn3ccnc3)c(=O)c2cc1-c1cnco1 28332756 NTEMWUWETOUAMH-UHFFFAOYSA-N 383.433 3.009 0 1 GGAF COc1ccc(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)N=C2O 26646860 WLISKFHJJXKVDF-UHFFFAOYSA-N 393.871 3.216 0 1 GGAF CN1C(=N)NC(=Cc2c[nH]c3cc(Br)c(Br)cc23)C1=O 2356505264 XUVBKQXEGSJTDJ-UHFFFAOYSA-N 398.058 3.030 0 1 GGAF CCCCCC=CC[C@H](O)[C@H](O)C=C[C@@H]1C[C@]1(O)[C@H]1CCCCCC(=O)O1 2356804140 XREMQJFWBLOXAM-AIYVTKCESA-N 380.525 3.418 0 1 GGAF Cc1ccccc1NCC(=O)N1CCCN(Cc2nc3ccccc3[nH]2)CC1 49089026 ZJORIKLDVHMVIM-UHFFFAOYSA-N 377.492 3.018 0 1 GGAF CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 40847131 IDFHLDRTPQHTBX-ZWKOTPCHSA-N 396.487 3.300 0 1 GGAF CCc1nnc2c(C(=O)N(CC)CC)c(N(C)CC(C)C)c3cccnc3n12 45245953 OXUJWPJVNHBXPO-UHFFFAOYSA-N 382.512 3.414 0 1 GGAF O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2F)cs1 82193455 FXBCBYWTARPUDC-DYVFJYSZSA-N 393.459 3.352 0 1 GGAF NCCC(=O)N1N=C(c2cc(F)ccc2F)S[C@]12CCOc1ccccc12 141986685 JEEPQMREUASVEU-IBGZPJMESA-N 389.427 3.186 0 1 GGAF COc1cc([C@H]2SCC(=O)N2c2ccc3c(C)cc(=O)[nH]c3c2)ccc1O 96905466 WDJBJGFRHLMGSP-HXUWFJFHSA-N 382.441 3.329 0 1 GGAF CCC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3ccc(OC)cc3)ccc1N(C)[C@H]2CO 95877909 JPPMMFNKXYTZHE-RZFNWQHOSA-N 380.488 3.473 0 1 GGAF CCn1c(=O)n([C@@H]2CCN(C[C@@H]3C[C@@H]4CC[C@H]3C4)C[C@H]2CO)c2ccccc21 96888366 JLJYBYQTMFFXIF-JAZQRGJZSA-N 383.536 3.114 0 1 GGAF COc1cc(C)cc(O)c1C(=O)c1cccc(O/C=C\[C@@H](C)C(=O)O)c1C=O 238785453 QLMLRTCODOKNMY-MEJMFZKBSA-N 384.384 3.366 0 1 GGAF O=[n+]1[nH]c2c(I)cnn2c2cc(-c3ccccc3)ccc21 377827772 JCHJJZLBEZIABP-UHFFFAOYSA-N 389.176 3.002 0 1 GGAF COc1nc(-c2cnc3ccccc3c2)nc(=NCCc2ccc(F)cc2)[nH]1 473162855 VDKKTZLKDYNFMZ-UHFFFAOYSA-N 375.407 3.311 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCC(N)=O)c2)N1 587750917 VJSGBVJWAMBBTF-MGNBDDOMSA-N 393.256 3.076 0 1 GGAF N=C(N)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 587000293 IERKJQGHUCRWPU-ZDUSSCGKSA-N 397.280 3.333 0 1 GGAF COc1ccccc1-c1nc2nc(O)nc(O)c2cc1[C@@H]1CCCC[C@H]1C(=O)O 587559791 OCBBYRFCKYOEGF-VXGBXAGGSA-N 395.415 3.470 0 1 GGAF O=C(Nc1cccc(-c2nc3c(O)nc(S)nc3[nH]2)c1)c1ccc(F)cc1 587164413 VBRHWBJGRQDHBC-UHFFFAOYSA-N 381.392 3.406 0 1 GGAF CCOC(=O)c1coc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587775634 SOIYRXJYNGXSGD-RMLUDKJBSA-N 383.217 3.377 0 1 GGAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOC(C)=O 587397722 AMCLVQGCTYYHAO-LJQANCHMSA-N 385.416 3.234 0 1 GGAF N=c1nc(O)c2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2[nH]1 587068381 UGXWXXHNXOQLTK-UHFFFAOYSA-N 393.794 3.237 0 1 GGAF O=C(O)[C@H]1CCCN(c2ccnc3ccc(I)cc23)C1 957663662 JBOWJTANTKKYBN-JTQLQIEISA-N 382.201 3.140 0 1 GGAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc(Cl)cc3c2OCOC3)N1 963228400 RPZNZPHRKJCZST-RTBURBONSA-N 396.830 3.443 0 1 GGAF CC[C@@]1(c2c[nH]c(C(=O)N3CCOCC3)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963108496 PCMNQSHPLGWVJM-WMZHIEFXSA-N 397.494 3.300 0 1 GGAF CN1C(=O)C[C@H]2CN[C@H](c3ccc(OCCn4ccnc4)cc3)c3cccc1c32 963032833 TXPDRARDYRSNFR-GAJHUEQPSA-N 388.471 3.105 0 1 GGAF COc1ccc(-c2c(C(N)=O)c3n(c2C2CC2)CCN(C(=O)NC(C)C)C3)cc1 1772641238 GFMQXYWUGGLRHB-UHFFFAOYSA-N 396.491 3.074 0 1 GGAF Cc1cncc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)c1 1772651755 SIDMHSIGIKPIRX-MRXNPFEDSA-N 390.491 3.167 0 1 GGAF O=C(NCCCc1ccncc1)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 12305150 FIRPBQDOHWLAKQ-SFHVURJKSA-N 385.895 3.223 0 3 GGAF OCc1ccc(CN2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)o1 14954962 NIENCCZQIRWCKB-UHFFFAOYSA-N 390.487 3.040 0 1 GGAF COC1CCC2(CC1)Oc1ccc(Br)cc1[C@@]21N=C(C)C(N)=N1 169708614 JCRQLFDPHZWIEQ-SEFLRBGSSA-N 378.270 3.154 0 1 GGAF COc1ccc2c(c1OC)CCN(Cc1nc3c4c(cccc4n1)C(=O)N=N3)C2 169710170 JOXIJZNPMICTBV-UHFFFAOYSA-N 389.415 3.443 0 1 GGAF CCn1ncc2c1CC[C@H](N=c1nc3c(-c4cncc(Cl)c4)cccn3[nH]1)C2 1857752976 YYGKOOZHHBFTGY-INIZCTEOSA-N 393.882 3.052 0 1 GGAF O=S1(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CCCC1(F)F 148606343 NJLWZWJRYGEZPN-CQSZACIVSA-N 394.443 3.174 0 1 GGAF COc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1 2467320 GJXHBFYNNCYAGP-UHFFFAOYSA-N 395.864 3.302 0 1 GGAF COc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4nn[nH]n4)cc3s2)cc1 103290055 DIVFOEXRPLOFCQ-KGLIPLIRSA-N 392.444 3.227 0 1 GGAF CC(=O)OC[C@H](O)[C@](O)(CO)[C@@H]1C[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]32C)C1 2356390568 HDYYOZGCKVOQKY-AZWSAXANSA-N 396.568 3.293 0 1 GGAF CCc1sc2nc(SCCO)n(-c3ccc(OC)cc3)c(=O)c2c1C 28949132 MVZGKSTWTKLSQS-UHFFFAOYSA-N 376.503 3.411 0 1 GGAF CO[C@]1(c2ccc3c(c2)OCO3)O[C@H](c2ccc3c(c2)OCO3)[C@H](C)[C@@]1(C)O 2356422226 KBHMRUUVCVKJQY-BMQAXYIDSA-N 386.400 3.102 0 1 GGAF CCc1cnc(N2CCN(Cc3cc(F)ccc3Br)CC2)nc1 66078643 XAMBVQWNRUJGGP-UHFFFAOYSA-N 379.277 3.263 0 1 GGAF C[C@H](Nc1ncnc2c(C(N)=O)cc(-c3cnn(C)c3)cc12)c1cccc(F)c1 114347240 NNNVEAQZJOPFCS-LBPRGKRZSA-N 390.422 3.441 0 1 GGAF CCc1oc(=O)c(Cc2c(OC)cc(O)c(C(=O)[C@@H](C)CC)c2O)c(O)c1C 2356508599 JPJQULLMOMCISM-JTQLQIEISA-N 390.432 3.456 0 1 GGAF Cn1c(=O)cc(SCC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21 20855918 LBGCWESAXHKIEQ-UHFFFAOYSA-N 399.560 3.108 0 3 GGAF O=C1NCc2ccc3c(c21)C[C@@H](NCCCc1c[nH]c2ccc(F)cc12)CO3 35067187 HLUXTZQWSRDLAS-MRXNPFEDSA-N 379.435 3.076 0 1 GGAF CC(=O)OCC[C@@H](CO)CC[C@H]1[C@@H](C)CC=C2C(CO)(CO)CCC[C@@]21C 136846211 LJMWAXIAAXBUJR-MCNSAMFCSA-N 382.541 3.072 0 1 GGAF Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2-c2nc(C)c(C)o2)c1 82173340 FGQZVVDYTSSKQF-QGZVFWFLSA-N 391.475 3.426 0 1 GGAF CN(Cc1ccc2[nH]ccc2c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 45256417 CBKGCLRRPJOUEL-NRFANRHFSA-N 397.429 3.057 0 1 GGAF CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3cc[nH]c3c2)cc1 40915924 FYKPJZSQHXGLEJ-UHFFFAOYSA-N 388.470 3.431 0 1 GGAF c1cc2[nH]cc(-c3cncc(C4CC4)n3)c2cc1-c1nnc(N2CCOCC2)o1 145411717 DJNAAVCOMOYFNT-UHFFFAOYSA-N 388.431 3.389 0 1 GGAF COC(=O)c1nn(C(=O)c2cccc(OC)c2)c2ccc(Br)cc12 96273880 QAEZHEWSSYNVBB-UHFFFAOYSA-N 389.205 3.283 0 1 GGAF COC(=O)N1CCN(c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)CC1 144751212 SAIUVBIPQYTNHD-LJQANCHMSA-N 392.377 3.354 0 1 GGAF O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1F 95866588 BJYSSVMXHLTPLG-FCHUYYIVSA-N 394.490 3.167 0 1 GGAF CCOC(=O)c1cc2c(n(C)c1=O)-c1cnn(-c3ccc(Cl)cc3)c1CC2 473081297 BYMCGUQFVQGKNM-UHFFFAOYSA-N 383.835 3.167 0 1 GGAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(Cl)ncnc2[nH]1 587000974 CXOZHGZXLLLBAU-JTQLQIEISA-N 391.660 3.493 0 1 GGAF COC(=O)C(=O)C[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592743 KAORUHTVQFPGPS-HTAPYJJXSA-N 398.411 3.271 0 1 GGAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(S)nc(S)nc4[nH]1)(C3)C2 587949973 HBJMUOTUUUALSF-KBDCMEBJSA-N 376.507 3.084 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)O2 587393262 DKAMZQDEUNWZCC-HOCLYGCPSA-N 376.453 3.283 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2nn[nH]n2)cc1 587592261 GDPWKVAIRXYCJP-YLJYHZDGSA-N 386.367 3.275 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C(=O)N(C)c4c(C(F)(F)F)cccc41)[C@@H](C2)C3=O 587421364 KGHINMGMHYNDFE-DJJJIMSYSA-N 389.329 3.333 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(=O)Nc1ccccn1 587862708 WNLRIPITWPTJQP-UHFFFAOYSA-N 390.321 3.251 0 1 GGAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)s1 587015115 XGZXIHXUTDKRIP-NSHDSACASA-N 394.522 3.343 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(-c3ccccc3)cc1)(C(O)O)O2 587403741 LKBONCIHQHCVKN-HSZRJFAPSA-N 375.424 3.416 0 1 GGAF C[C@H](c1ccccc1)N1CCC(N(C)C(=O)c2cn(C)c(=O)c3[nH]ccc23)CC1 1772585114 YSPRKABKBRUYOT-MRXNPFEDSA-N 392.503 3.164 0 1 GGAF CN(Cc1ccc2nccnc2c1)C(=O)CCc1nnc(-c2ccsc2)o1 12459607 DCXBORBSJMIEKJ-UHFFFAOYSA-N 379.445 3.333 0 1 GGAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CN1CCN(c3ncccn3)CC1)O2 13651324 FEJVKMXFWQJHNA-QFIPXVFZSA-N 382.508 3.013 0 1 GGAF COc1ccccc1N1CCN(CCCCNC(=O)c2sccc2C)CC1 13740990 NYSDVJIUWZYMPH-UHFFFAOYSA-N 387.549 3.397 0 1 GGAF CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(N)=O)C(=O)N1 13820434 LFRCBGUYFGOVRU-ZDUSSCGKSA-N 385.342 3.076 0 1 GGAF C[C@H](NC(=O)[C@@H]1CCCN1C)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1 1857753519 AGYLNZJSYZFVFY-ZFCZOSEKSA-N 392.503 3.095 0 1 GGAF Cc1cccc(N2CCN(S(=O)(=O)c3cccc4cccnc34)C[C@H]2C)c1 2465220 HBWOXSZPJJPTHI-QGZVFWFLSA-N 381.501 3.443 0 1 GGAF O=c1[nH]c(CCCN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc12 3820039 WNEWPRAKPXLTSH-UHFFFAOYSA-N 382.895 3.331 0 1 GGAF CC(C)(C)c1ccc(C(=O)Oc2ccc(C[C@@H]3NC(=S)NC3=O)cc2)cc1 103199391 OLIKHTGBQCRLEQ-KRWDZBQOSA-N 382.485 3.119 0 1 GGAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CCCCC3)[C@H](O)[C@H]2[C@H]1C 2356533611 MAYBNQJIYGYBCP-HNVVPZLMSA-N 392.584 3.399 0 1 GGAF COc1ccc2c(n1)N(C1CCN([C@@H]3/C=C/CCCCC3)CC1)C(=O)CC(=O)N2 114073268 NEQQBFAZUUAWQM-BIENSFFJSA-N 398.507 3.119 0 1 GGAF CCCNC(=O)OC[C@H]1C[C@H]2CCN1C[C@H]2c1cc(-c2cccs2)nn1C 2356830221 JFRRLYBBVBKSHJ-BZUAXINKSA-N 388.537 3.463 0 1 GGAF COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NC1CCCCC1 36384283 LROMADDFVWJFRT-DOTOQJQBSA-N 387.480 3.497 0 3 GGAF Cc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 82059791 QLSQIRLUTZBLDK-HKARXFIJSA-N 399.487 3.331 0 1 GGAF Nc1nc(N)c2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2n1 45202108 VCHCFFQQOCDNJB-UHFFFAOYSA-N 391.456 3.262 0 1 GGAF COc1ccc(NC(=O)CCc2nc(Cc3ccc(NC(C)=O)cc3)no2)cc1 40917689 RYQUONJTIFWIQM-UHFFFAOYSA-N 394.431 3.199 0 1 GGAF COc1nc(-c2ccc(C)cn2)cc(N2CC(c3nc4ccccc4n3C)C2)n1 143126745 PHLPYHSRYTXKKL-UHFFFAOYSA-N 386.459 3.346 0 1 GGAF Cc1cccc(F)c1NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1 95590823 CTOACSABQUQRQN-UHFFFAOYSA-N 389.408 3.012 0 1 GGAF Cc1ccc(NC(=O)c2cnc(Cl)cn2)cc1[C@]1(C)CCSC(N)=N1 147781783 KFZBNXGVAUKQLR-KRWDZBQOSA-N 375.885 3.358 0 1 GGAF COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 96175204 ZAKOAAGMLYVQEK-SUMWQHHRSA-N 382.485 3.369 0 1 GGAF CC[C@@H](C)[C@H](CNC)N1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@H](CO)C1 653700749 WOAVGPIBJVIPMQ-SRTFMOQBSA-N 391.644 3.206 0 1 GGAF CCOC(=O)[C@@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340677 VMCDWOHBROKNIY-FYYCGKGUSA-N 399.418 3.267 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(CS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C2)C3=O 587448019 GZLRWDQDWYSWMY-KXBFYZLASA-N 392.860 3.329 0 1 GGAF Cc1cc2c(O)nc(O)nc2nc1-c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 587367578 ZTRHVFURSIEEGB-UHFFFAOYSA-N 387.610 3.292 0 1 GGAF O=C1CC(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587603549 NIZOYKAOOHBMPT-NZQKXSOJSA-N 386.359 3.405 0 1 GGAF COC(=O)Cn1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587754023 KHSWMSMPLKEEBA-BMLIUANNSA-N 381.245 3.186 0 1 GGAF FC(F)(F)Oc1cc2nc(C[C@H]3COCCO3)[nH]c2cc1Br 586908930 CWKXYFPCWZZSEZ-ZETCQYMHSA-N 381.148 3.182 0 1 GGAF COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(/C=C/C=C/C(=O)O)nc2c1 587968361 MYVPOEBCHRLHDD-KBXRYBNXSA-N 399.428 3.026 0 1 GGAF C[C@]1(CC(=O)Nc2nc3ccccc3s2)NCCc2c(C(=O)O)cccc21 963122428 NDGUSKUHHZDJCN-HXUWFJFHSA-N 381.457 3.384 0 1 GGAF COc1ccc(Cl)c2c1CCN[C@]21C(C(=O)O)=CN(C)c2ccc(F)cc21 963269392 IWTWWYORTOKACV-HXUWFJFHSA-N 388.826 3.295 0 1 GGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2cnc(C(F)(F)F)s2)N1 963216992 AXJFUXKGGQGXNC-GXTWGEPZSA-N 379.363 3.398 0 1 GGAF CC(C)C[C@H](CO)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CCC1=O 13111156 PLMNTVMJYWPDBQ-CQSZACIVSA-N 387.307 3.075 0 3 GGAF COc1ccc(Nc2ncc3c(n2)CCN(Cc2ccccn2)C3)c(OC)c1 15778979 OXFKVYPFEWBPNQ-UHFFFAOYSA-N 377.448 3.191 0 1 GGAF COC[C@]12C[C@H](CC1=O)[C@@H]1[C@@H]2ON2c3ccccc3C(=O)[C@@]12c1ccccc1 17218608 FLDNSLQVGNOXOV-XGQZBTOSSA-N 375.424 3.140 0 1 GGAF O=C(O)c1ccc(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 1857773087 DEXRECXXHCTNHS-DOIPELPJSA-N 380.488 3.420 0 1 GGAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)OCc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 100728322 CODRVQGKDHKTDZ-NCYKPQTJSA-N 379.456 3.438 0 1 GGAF O=C(c1ccccc1F)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26009873 FFYLEJHZFBJVBX-QGZVFWFLSA-N 380.206 3.495 0 1 GGAF C[C@@](O)(c1ccccc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26011155 ALSZSBJXLWUUGS-MSOLQXFVSA-N 378.259 3.380 0 1 GGAF COc1ccccc1CCNC[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@]3(C)[C@@H](O)[C@H]21 504517465 XTTGKVUTQFWVDF-MXBXLFQHSA-N 399.531 3.112 0 1 GGAF biogenic CCCCC/C=C\C[C@@H](O)[C@H](O)C/C=C\C/C=C\CCCC(=O)NCCO 34962009 WYSZRDPBSSHJLF-XXHBABOJSA-N 381.557 3.406 0 1 GGAF C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=O)C1=CC[C@H]2c1ccc(=O)oc1 6624487 GINUJYZEMXGGKW-FZPPZSKXSA-N 398.499 3.341 0 1 GGAF biogenic Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1CCOc1ccccc1 95604906 LJFKPHCTRNHLGH-JOCHJYFZSA-N 391.475 3.196 0 3 GGAF OC[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(CC3CC3)CCCCN12 95875271 LPVOCHZCCVGHEL-RBZQAINGSA-N 377.532 3.383 0 1 GGAF O=C(N[C@@H]1C=CC[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12)OCc1ccccc1 299815371 FJNBWKYPMHKHAW-GUDVDZBRSA-N 376.412 3.047 0 1 GGAF COC(=O)C(=O)C[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592745 KAORUHTVQFPGPS-VGOFRKELSA-N 398.411 3.271 0 1 GGAF COC(=O)C1CCN(C(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587516121 YCDLXRBIYOFMAU-HSZRJFAPSA-N 399.487 3.091 0 1 GGAF Cc1cc2[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc2cc1Br 586930879 JMGUJZYGDPEVTM-UHFFFAOYSA-N 380.267 3.089 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(Cc2ccccc2)C[C@@H]1C(=O)O 587479952 VQJPMSZONWWGFI-WZONZLPQSA-N 395.455 3.265 0 1 GGAF CC1(C)OC(=O)C(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C(=O)O1 586992812 XYOZTIBSRMDLMB-UHFFFAOYSA-N 389.363 3.072 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C[C@@H](CC(=O)O)c4cc(OC)ccc41)[C@@H](C2)C3=O 587442216 KKAXKWMQTZADPV-WAQMSGSHSA-N 380.396 3.309 0 1 GGAF CCOC(=O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 586922467 OBLYGSZETMVQOV-UHFFFAOYSA-N 398.484 3.245 0 1 GGAF CC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 587650390 KQUTXELNHIKRKQ-UHFFFAOYSA-N 385.445 3.091 0 1 GGAF O=C(O)[C@@H]1[C@@H]2[C@@H]3C[C@H]1[C@]1(Oc4cc(O)ccc4C(=O)[C@@H]1c1ccc(F)cc1)[C@@H]32 587348019 BXGWWVJLGJNRQK-XQRBYBSYSA-N 380.371 3.226 0 1 GGAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586973653 QCBYPTJIQOOIER-IBGZPJMESA-N 396.516 3.375 0 1 GGAF CN(C)S(=O)(=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587081468 XDLFWMMBXUOFEM-MRXNPFEDSA-N 377.853 3.143 0 1 GGAF CC(C)(C)NCc1cc(NC(=O)Nc2cccc3c2[C@H]2CCCN2C3=O)n[nH]1 13471130 GTZWWDDACCTQQM-OAHLLOKOSA-N 382.468 3.233 0 1 GGAF CNc1ncnc2c1c(-c1cnn(C)c1-c1ccc(C(F)(F)F)cc1)nn2C 169685305 RCPKOFJPUJIKJL-UHFFFAOYSA-N 387.369 3.491 0 1 GGAF COc1ccc2c(c1)[C@@H](O)C(=O)[C@@H](c1ccc(OC)c(Br)c1)O2 169690315 VNARNCLQMGHYSY-NVXWUHKLSA-N 379.206 3.203 0 1 GGAF COC(=O)c1sc2ncnc(Nc3cccnc3O[C@@H](C)CCN)c2c1C 169708359 VTBUOEIKBOTRGK-JTQLQIEISA-N 387.465 3.041 0 1 GGAF COc1ccccc1CCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cncnc21 4238550 NBINILKZOCPDKC-UHFFFAOYSA-N 394.381 3.383 0 1 GGAF NCc1cc(O[C@H]2CCN(C(=O)Nc3ccccc3)C2)nc(C(F)(F)F)c1 1857562591 ZWHOTPNCEFWATE-AWEZNQCLSA-N 380.370 3.244 0 1 GGAF COc1ccc(CCNC(=O)c2nn(C)c3c2CCc2sccc2-3)cc1OC 9687520 ZVINGVZXVCLTHJ-UHFFFAOYSA-N 397.500 3.237 0 1 GGAF Cc1ccc(C(=O)N[C@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)cc1CC(=O)N1CCOCC1 101291615 YXKKKXDMHWGXKH-WNOPAQSVSA-N 398.547 3.341 0 1 GGAF Cc1[nH]c2ccccc2c1C1=C(NCCc2c[nH]c3ccccc23)C(=O)N(C)C1=O 59086694 BWAXRKMLCWTMDM-UHFFFAOYSA-N 398.466 3.500 0 1 GGAF CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccccc2)[C@H]1c1ccccc1 58603059 IALMGZYMFZDZKC-JTHBVZDNSA-N 394.471 3.283 0 1 GGAF COc1cccc(-c2cn(C)c(CSc3nc4nc(C)cc(C)n4n3)n2)c1 113421493 YYVHBBNOBVYPJV-UHFFFAOYSA-N 380.477 3.443 0 1 GGAF Cc1cccc2c1CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 22941240 FMTZLPYHNXPXCD-UHFFFAOYSA-N 383.923 3.355 0 1 GGAF CC(C)C(=O)Nc1nc2c([nH]1)C[C@H](c1cnc(NC(=O)c3ccccc3)[nH]1)CC2 2356860381 UEMGEMFUMMACSA-CQSZACIVSA-N 392.463 3.252 0 1 GGAF CC(=O)c1c(O)c(C(C)C)cc2c(c1=O)[C@@]13CCCC(C)(C)[C@@H]1C(=O)[C@H]2OC3=O 2356874905 ZWMNXVIUPFQWFJ-JTAQYXEDSA-N 398.455 3.323 0 1 GGAF CC(=O)O[C@@H]1C[C@H](C)[C@](O)(CCc2ccoc2)[C@@]23CCC[C@@](C)(C(=O)OC2)[C@@H]13 15198651 NRXALCWIVBLUAS-DGYFLMCXSA-N 390.476 3.264 0 1 GGAF biogenic COc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H]3C[C@@H]4C=C[C@@H]3C4)C2=O)cc1 136748667 WLDNKAUYZYEEKC-FNZOVBQBSA-N 398.484 3.060 0 1 GGAF CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(C)cc4)cc3)[C@H]2C1 95873943 ZFJSDRDQKLPFMQ-SMIHKQSGSA-N 378.516 3.433 0 1 GGAF Cc1csc(-n2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 146141363 WFVIVWANXDMMEG-UHFFFAOYSA-N 388.396 3.457 0 1 GGAF O=C1[C@@H]2[C@@H](ON3c4ccccc4C(=O)[C@]23c2ccccc2)C(=O)N1c1ccccc1 254145398 MFGKNCXXMLCDSY-ROKPMTFOSA-N 396.402 3.088 0 1 GGAF COc1cc(O)c(C(=O)OCC2CCCCC2)c(/C=C/CN2C(=O)C=CC2=O)c1 299824974 FFRTZPOZWGTAJA-VMPITWQZSA-N 399.443 3.076 0 1 GGAF CCOC(=O)/C(=C/N(C)C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587757044 UGPAHAGWKPUWRH-FPXYEXFZSA-N 385.277 3.172 0 1 GGAF COC(=O)c1cc(Br)c2[nH]c(-c3cnc([C@H](C)O)s3)nc2c1 587021186 GHGYUXNFJTWWSK-LURJTMIESA-N 382.239 3.289 0 1 GGAF CSc1ncc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(=N)[nH]1 587842788 GLAHKKMQMGKWTE-VPTHRUTESA-N 397.317 3.310 0 1 GGAF CCc1cc(O)nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587657065 RXNPGIDUWIWKTQ-UHFFFAOYSA-N 380.354 3.389 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CC[C@H]1NC(=O)OCc1ccccc1)[C@@H](C2)C3=O 587432929 NPTMNCINVJVVDI-AQOAWAETSA-N 379.412 3.270 0 1 GGAF COC(=O)[C@@H]1CC(OC)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587807989 GHBYESPLNBVCAP-ZPQPFTAQSA-N 384.245 3.041 0 1 GGAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnncc3[nH]2)C[C@H]2CCCC[C@H]21 586958848 IXKNIMGPCJQPKE-XWIAVFTESA-N 383.477 3.047 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Br)cc(F)cc21 587385731 UOTRPTQALJZIHA-QGZVFWFLSA-N 391.196 3.292 0 1 GGAF CCCc1c(O)ccc2c1O[C@](C)(Cn1c(=O)oc(=O)c3ccccc31)CC2=O 587489324 UPADMGQXCKFYNO-QFIPXVFZSA-N 395.411 3.037 0 1 GGAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587225102 NFDBDNRXEGGMIU-QMMMGPOBSA-N 399.760 3.060 0 1 GGAF COC(=O)C[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587775603 SFQVLLJKXUYZHE-VOJFVSQTSA-N 393.256 3.324 0 1 GGAF COCC[C@@]1(Cc2cccc(F)c2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963232438 NPOLIHGJPGLEAI-GMAHTHKFSA-N 394.446 3.447 0 1 GGAF NS(=O)(=O)c1ccc(-c2nc3scc(-c4ccc(Cl)cc4)n3n2)cc1 1772581402 VMLPLUPKEVGPQQ-UHFFFAOYSA-N 390.877 3.426 0 1 GGAF Cn1cc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1 12757708 DEZZIHPGOWQOPM-UHFFFAOYSA-N 381.505 3.394 0 3 GGAF COc1cccc2c1CCN(CCN1CCN(c3ccc(Cl)cc3)CC1)C2=O 13804235 RSEPGIMWDIKONM-UHFFFAOYSA-N 399.922 3.169 0 1 GGAF Cc1ccc2c(c1)[C@](O)([C@@H]1C(=O)N(C)c3ccccc31)C(=O)N2Cc1ccccc1 203697279 GVRXNAUYJYEBQO-DHLKQENFSA-N 398.462 3.490 0 3 GGAF Cc1cccc(CSc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)c1 1857567471 XCLPSOZWXNMFSH-KRWDZBQOSA-N 380.469 3.048 0 1 GGAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@@H]1c1ccc(O)c(OC)c1)CCC3 1857597781 WTEOKOMECMCFGI-GOSISDBHSA-N 396.443 3.228 0 1 GGAF CN1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1 591199 FINHYBFECTZECE-UHFFFAOYSA-N 386.455 3.064 0 1 GGAF O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F 4055237 ULRAOCBHQOOPAD-RDJZCZTQSA-N 397.233 3.333 0 1 GGAF COC[C@@H](Cc1ccc2c(c1)OCO2)[C@H](COC)Cc1ccc2c(c1)OCO2 14437716 NQFDLHKMNTXMAG-HDICACEKSA-N 386.444 3.454 0 1 GGAF biogenic COC(=O)N1CCc2cc(OC)c(OC)c3c2[C@H]1Cc1ccc(OC)c(O)c1-3 14559015 JWSAYTXQWHOMHU-CYBMUJFWSA-N 385.416 3.307 0 1 GGAF endogenous,in-man CCCCCCC(=O)N(C)CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26500632 UZWVYQKNDVAHCI-QGZVFWFLSA-N 392.521 3.388 0 1 GGAF Cc1ccc(C2(O)CCN([C@H](C)[C@H](O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1 28952104 DSRUIFDXWAYHHS-HXOBKFHXSA-N 394.515 3.285 0 1 GGAF CCCCCCC(=O)OC[C@]1(CO)C/C(=C/c2ccc(OC)cc2)C(=O)O1 40393540 SXZVJRVGVPLAQS-NYXAKURHSA-N 376.449 3.270 0 1 GGAF O=C(C1CCCCC1)N1[C@H]2C[C@@H]1CN(S(=O)(=O)c1cccc3ccccc13)C2 40411003 DMYLIFKDVYIQAM-KDURUIRLSA-N 398.528 3.394 0 1 GGAF CN1C(=N)N[C@](c2ccncc2)(c2cccc(-c3cccc(F)c3F)c2)C1=O 49125780 GIDCLQLMYYYDAO-OAQYLSRUSA-N 378.382 3.267 0 1 GGAF Cc1nn(CCN2CCCC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565092 VXZLQLSKMSLTMN-UHFFFAOYSA-N 392.906 3.247 0 1 GGAF CC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CNC(=O)CC1CC1 95667893 KDOZGJRMZZMEFS-WMTXJRDZSA-N 396.531 3.236 0 1 GGAF F[C@@]1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCCNC1 96175124 IOMPXUVGZPWQSW-NRFANRHFSA-N 377.423 3.415 0 1 GGAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](c1ccccc1)(N1CC[C@@H](N)C1)C(=O)N2 219378714 HTDNSDJUZYAHLV-WZONZLPQSA-N 388.471 3.187 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC[C@@H](O)C4CCCCC4)ncc23)ccn1 219762802 USLIDDGMHXQDCD-GOSISDBHSA-N 394.479 3.391 0 1 GGAF O=S(=O)(O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587003416 KNTMUBLQLIXOCD-UHFFFAOYSA-N 393.222 3.115 0 1 GGAF N[C@@H](N=O)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587117855 HJCYBSXQICNUDH-AWEZNQCLSA-N 391.313 3.205 0 1 GGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(Br)cc2[nH]1 587231249 NAFDGLJLFXJLLB-QWHCGFSZSA-N 380.286 3.362 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(CCN3CCOCC3)c1C)O2 587389666 MRZQLPBCQDBROZ-OAQYLSRUSA-N 383.492 3.034 0 1 GGAF CCOC(=O)C[C@@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556900 PKLAAQSDLZXWRQ-HNAYVOBHSA-N 378.327 3.311 0 1 GGAF CCc1ccc([C@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587612442 VUPVOWXCMVKZIE-XXBNENTESA-N 392.407 3.122 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795862 JPIUKKAGNHFLTM-YPMLDQLKSA-N 398.272 3.250 0 1 GGAF COc1ncc(C)cc1[C@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962719039 ZDUJNRIUQGONJV-GJZGRUSLSA-N 384.329 3.245 0 1 GGAF COc1cc2c(cc1[C@H]1N[C@H](C(=O)C(F)(F)F)Cc3ccccc31)OCO2 962765136 MDENVVIKSIAXBL-GUYCJALGSA-N 379.334 3.159 0 1 GGAF CCOC(=O)CC[C@]1(c2ccc(F)cc2)NCCc2ccc(C(=O)N(C)C)cc21 962929758 WYYYQFXZSYDAKH-HSZRJFAPSA-N 398.478 3.260 0 1 GGAF CCOC(=O)[C@H](CCC(=O)OC)[C@]1(C)c2c(F)cccc2C[C@H]2CCCN21 963104079 GZQTWQJHFLNYPR-VWKPWSFCSA-N 377.456 3.194 0 1 GGAF CCc1ccc(/C=C2\SC(=O)N(CC[C@H]3C[C@@H]4C[C@H]3[C@@H](O)[C@H]4O)C2=O)cc1 1857603031 VNZRDFOIVYGPLM-TWGSQKQESA-N 387.501 3.053 0 1 GGAF COc1ccc2nc(C[C@@H]3CN(C(=O)C4CCCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356361321 YVIRFMXDCVGJNE-HZPDHXFCSA-N 399.491 3.244 0 1 GGAF CC(=O)OCC(C)=CCCC1=CCC[C@](C)([C@H](O)CCC(C)=CCO)OC1=O 2356630554 VJXZNMFEQJQUKW-IFMALSPDSA-N 394.508 3.378 0 1 GGAF CN(C(=O)C1=CC2=N[C@H](c3ccco3)C[C@H](C(F)(F)F)N2N1)c1ccccc1 104009480 AHIPQEVESXHYLE-XJKSGUPXSA-N 390.365 3.421 0 3 GGAF Cc1ccc(C)c(-n2c(CNc3ccc(F)cc3)nnc2SCC(N)=O)c1 1328481 XRPKTJBXUDFBGV-UHFFFAOYSA-N 385.468 3.213 0 3 GGAF CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4216324 DJGARSHNWDGLPW-YTQUADARSA-N 375.469 3.031 0 1 GGAF O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100302635 SLCZZOFASVPFSO-WJRACZLCSA-N 386.451 3.044 0 1 GGAF CCOC(=O)[C@@H]1Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H]1c1cccnc1 1911573924 HPCBATDLKAKUKW-TZIWHRDSSA-N 390.439 3.056 0 1 GGAF CCc1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 104041676 WSLVAGBQCYQCTJ-QGZVFWFLSA-N 399.450 3.195 0 1 GGAF COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1cccnc1 27842919 QZYWDGGNQHHBFI-REWPJTCUSA-N 379.504 3.243 0 1 GGAF O=C1N(c2ccccc2)c2nc[nH]c(=O)c2[C@H]2[C@H](N3CCCC3)CCCCN12 103201376 BYVKSBZNMZWONN-SJLPKXTDSA-N 379.464 3.033 0 1 GGAF O=S(=O)(NCCCCc1c[nH]cn1)NCc1ccc(-c2ccccc2)cc1 26830926 DXRVTWFKLDNABL-UHFFFAOYSA-N 384.505 3.024 0 1 GGAF C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(F)cc(F)c2)CC1 22941468 PXSNASRAIMXQPZ-MRXNPFEDSA-N 385.458 3.060 0 1 GGAF COc1ccccc1C(=O)NC(=O)Nc1cccc([C@@H]2CN3CCSC3=N2)c1 29390014 ARZPANMUCCMXOP-INIZCTEOSA-N 396.472 3.117 0 1 GGAF COc1ccc(C=C(Oc2ccc(C=CC(=O)O)cc2OC)C(=O)O)cc1O 2356728811 VNYIROSWAJPVDY-UHFFFAOYSA-N 386.356 3.012 0 1 GGAF O=C(CCc1cn2c(n1)sc1cc(O)ccc12)NC1=C(C(=O)O)CCCC1 34853234 GGGKZUYCIJIKSM-UHFFFAOYSA-N 385.445 3.216 0 1 GGAF CN(CCCN1C(=O)[C@H]2Cc3ccccc3CN2C1=S)Cc1ccccc1 49055571 RWSUJQVKRGPHDD-HXUWFJFHSA-N 379.529 3.063 0 1 GGAF Cc1nc([C@](C)(CC2CC2)NC(=O)c2cc(OCCF)c(C3CC3)cn2)no1 146282043 KPAGEHBKYZRGRG-FQEVSTJZSA-N 388.443 3.444 0 1 GGAF CC1=C(C(N)=O)[C@@H](c2ccsc2)N2NC(SCc3ccccc3)=NC2=N1 473135978 MDWYQXLNNVOBKX-OAHLLOKOSA-N 383.502 3.028 0 1 GGAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3c[nH]c4ccccc34)c2)c1 653883036 GXJDRACBRYFMJE-UHFFFAOYSA-N 386.411 3.493 0 1 GGAF COc1cc2ncn(Cc3ccc(Br)cc3)c(=O)c2cc1OC 653711616 YRKHFTUZXVMLHR-UHFFFAOYSA-N 375.222 3.225 0 1 GGAF Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)cc1F 653696909 ZOHDVAWTMSEUJJ-UHFFFAOYSA-N 382.376 3.039 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)C(F)F)cc1)O2 587383955 XUKYJMKFXUHOFR-GOSISDBHSA-N 381.400 3.454 0 1 GGAF COc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1OC 587151000 WYTRNIJDOZCUEO-GFCCVEGCSA-N 387.386 3.374 0 1 GGAF CCOC(=O)c1nn(C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580070 GYAXXKCKLFRPKH-OXJNMPFZSA-N 394.383 3.005 0 1 GGAF CC[C@@H](C)n1ncc(I)c1-c1nc2cnc(OC)cc2[nH]1 587181175 OAXVFECOXQALLK-MRVPVSSYSA-N 397.220 3.406 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc3c(c1)OCCCO3)O2 587415258 YYLRREMSTWZJGU-QFIPXVFZSA-N 397.427 3.464 0 1 GGAF N=c1ncc(-c2cccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)c[nH]1 587254805 PGOWPEGPBDMUFQ-UHFFFAOYSA-N 385.200 3.396 0 1 GGAF COc1cc2c3c(c1)O[C@@](Cn1nc(C)cc1C)(c1cccc(N)c1)[C@@H](C2)C3=O 587433377 WZAAIRROZHYOAQ-CVDCTZTESA-N 389.455 3.434 0 1 GGAF CCOc1ccccc1[C@@](N)(c1nc2ccc(C(=O)O)cc2[nH]1)C(F)(F)F 587091199 BYQMCUTVNHKMOM-QGZVFWFLSA-N 379.338 3.424 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)O)n(C)c2)N1 587752286 QOFIJIYAXBSNBZ-XYZCENFISA-N 381.245 3.423 0 1 GGAF Cc1nc(-c2c[nH]cc2-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cs1 587022234 WHKBQFNWGROCAO-UHFFFAOYSA-N 387.490 3.240 0 1 GGAF CN1c2ccc(F)cc2-c2ccnc3[nH]c(C4=CCNCC4)c(c23)[C@H]1C(=O)O 1772606146 SJKLLCWLZBUZDK-IBGZPJMESA-N 378.407 3.321 0 1 GGAF CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc([C@H](O)CNC(C)(C)C)c1 1772620390 MQNIMNOIMYBNPW-QGZVFWFLSA-N 395.500 3.009 0 1 GGAF CN(CCOc1ccc([C@@H]2SC(=O)NC2=O)cc1)c1nc2ccccc2o1 12358050 HTANXWFGXPQIQT-INIZCTEOSA-N 383.429 3.367 0 1 GGAF COc1ccc2c(c1)CN(C(=O)NO)N=C2Cc1c(Cl)cncc1Cl 13436030 ISPIFLJDLBSAFD-UHFFFAOYSA-N 381.219 3.258 0 1 GGAF CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)c2ccc(=O)oc2)C1 14958501 ACHYXOVKBZZARW-QGZVFWFLSA-N 381.407 3.408 0 3 GGAF CN1C(=O)[C@@]2(N=C1N)c1cc(Cl)ccc1CC21CCC(OC(F)F)CC1 201260381 XJNSFXNHQZJLLO-WQHGFJKVSA-N 383.826 3.046 0 1 GGAF N[C@@H]1CCCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)C1 205246617 AUGGRGUVEXOOJJ-CYBMUJFWSA-N 389.438 3.149 0 1 GGAF NS(=O)(=O)c1c(F)ccc(OCc2nc3cc(Cl)ccc3s2)c1F 207023677 JTMBNELIEPQCNX-UHFFFAOYSA-N 390.820 3.454 0 1 GGAF CCCCOC(=O)Nc1cccc([C@@H](O)CN2CCN(c3ccncc3)CC2)c1 1857631799 IGAPSVNSHXVKGJ-NRFANRHFSA-N 398.507 3.286 0 1 GGAF COc1ccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@@H]2C)OCO4)cc1 105518500 YALHRVPUHAFPQG-KHIBUBOWSA-N 383.444 3.243 0 1 GGAF COc1ccc(Cl)cc1-c1ccc2c(c1)C(=O)N1C[C@H](OC)C[C@H]1C(=O)N2 8297192 QYQQERQDVBPPHP-DYVFJYSZSA-N 386.835 3.197 0 1 GGAF biogenic Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OC[C@@H]2CCCN2C)C(C)C)co1 82070336 NZXSVKWJRXBLKP-LPHOPBHVSA-N 399.491 3.042 0 1 GGAF Cc1csc(N2NC(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)n1 49112138 KYESWVXTUKXOKB-CSODTCANSA-N 387.464 3.353 0 1 GGAF Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3C[C@H]3CCCO3)nc12 49031590 XFQVAGHLSGFVLY-CYBMUJFWSA-N 378.461 3.378 0 1 GGAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCCc1ccc(F)cc1 82207745 LQERMJMIYLBEEC-LTUFVJNNSA-N 390.499 3.237 0 1 GGAF Cc1nc(C(=O)Cc2ccc(F)c([C@@]3(C)N=C(N)SCC3(F)F)c2)co1 96172066 PIEPDFKCOXUZRD-MRXNPFEDSA-N 383.395 3.460 0 1 GGAF O=C(O)COc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1F 473088533 OTDKUCYIDOJWAZ-UHFFFAOYSA-N 387.285 3.325 0 1 GGAF COC(=O)c1cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2cn1 587204564 WVTRXFBWVBZPHG-UHFFFAOYSA-N 395.419 3.262 0 1 GGAF COC(=O)C[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587773259 PXYQWEASUVLZKY-BBATYDOGSA-N 393.256 3.324 0 1 GGAF CCn1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587657444 XANOGOVMJLFILD-UHFFFAOYSA-N 380.354 3.247 0 1 GGAF CC[C@@]1(c2ccccc2OCC(=O)N(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430482 UJOLOQVFSSCWRY-HXOBKFHXSA-N 395.455 3.215 0 1 GGAF CN(c1ccc(-c2csc(CC(=O)OC(C)(C)C)n2)cc1)S(C)(=O)=O 587923783 OCJPNGXRFYTHLT-UHFFFAOYSA-N 382.507 3.090 0 1 GGAF CC1([C@@]2(C)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)COCOC1 963177402 JQTBOFCRCMSJIL-BZNIZROVSA-N 393.789 3.184 0 1 GGAF CC(C)c1nn(C)c2c1[C@](c1ccc(C(F)(F)F)cc1)(C1CNC1)NCC2 962915390 HRXNJHGMPFDBMR-IBGZPJMESA-N 378.442 3.171 0 1 GGAF Cc1ccc(S(=O)(=O)n2ccc([C@H]3NCCc4c3c(C(C)C)nn4C)c2)cc1 962909201 KSEYWYSFKJMVFD-OAQYLSRUSA-N 398.532 3.126 0 1 GGAF COc1ncc([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cc1F 962703588 MFDYBVUIVMMRCT-ZIAGYGMSSA-N 388.292 3.076 0 1 GGAF Cc1cccc(F)c1CN1C[C@@H](N(C)C)[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1772636963 NLDUIPOKJBPSQV-PZJWPPBQSA-N 390.524 3.067 0 1 GGAF O[C@@H](Cc1ccc(Br)cc1)CN1CCN(c2ccccc2)CC1 13824019 LLFKSJJIEKGMLU-IBGZPJMESA-N 375.310 3.175 0 1 GGAF CNC(=O)c1ccccc1Nc1nc(Nc2ccccc2OC)nc2c1CCN2 200870079 BZPYOXSDWSEONJ-UHFFFAOYSA-N 390.447 3.300 0 1 GGAF COc1cc(C(=O)N2CC[C@@H]3CN(C#N)C[C@@H]32)ccc1-c1ccncc1Cl 1857600174 XISMVCGRSIDEMH-KDOFPFPSSA-N 382.851 3.038 0 1 GGAF CC(=O)c1ccc(Oc2ccc3nc(C(=O)N4CCNCC4)ccc3c2)cc1 584603583 BVCBGQASRGPDLU-UHFFFAOYSA-N 375.428 3.275 0 1 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N1CCOCC1 770762 HVBLLACKLHHCNV-FPOVZHCZSA-N 380.444 3.036 0 1 GGAF O=C(Nc1ccn(CCCNCc2ccccc2)c(=O)n1)OCc1ccccc1 61936097 SLAZVINHSYUXGB-UHFFFAOYSA-N 392.459 3.172 0 3 GGAF COc1ccc([C@H]2[C@H](C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1OC 66259194 QCECQIBLQLWIIR-HXPMCKFVSA-N 387.432 3.454 0 1 GGAF O=C(NC(=O)c1ccc(F)cc1)Nc1cccc([C@H]2CN3CCSC3=N2)c1 29389938 DIRDOOBXWNXTAP-MRXNPFEDSA-N 384.436 3.247 0 1 GGAF C=C(NC(=O)C(C)=CC=CCCCCC(C)C)C(=O)NC(=COC)C(=O)OC 2356626221 PERDMKQFFPTEJL-UHFFFAOYSA-N 392.496 3.112 0 1 GGAF COc1cccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)c1 28825546 BAPVXGFWMGYCOI-SFHVURJKSA-N 384.432 3.419 0 1 GGAF C[C@@H](F)c1ccc(S(=O)(=O)N2CCN(CCc3ccncc3)C[C@H]2C)cc1 40949382 GXBKOWOGUVVAOL-IAGOWNOFSA-N 391.512 3.050 0 1 GGAF C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C5CC5)c(NC5(C)CC5)nc34)[nH]c21 222232182 FPIJQPCUMVUNOE-LLVKDONJSA-N 389.459 3.495 0 1 GGAF COC1CCN(c2cccc(-c3nc(N)nc(-c4ccccc4O)n3)c2)CC1 84654175 WGFLLKYIRNKGKW-UHFFFAOYSA-N 377.448 3.109 0 1 GGAF O=C(c1cnc(NCc2ccccc2)nc1-c1ccccc1F)N1CCOCC1 82151353 ACKQPQGUGOOICI-UHFFFAOYSA-N 392.434 3.367 0 1 GGAF O=C(N1CCOCC1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1 40894886 LOACPKRUHJBSKN-JTHBVZDNSA-N 395.547 3.112 0 1 GGAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(Cl)c(F)c1 221677547 IDOWDLBTGMMLQK-ATEUNZGCSA-N 398.797 3.287 0 1 GGAF O=C(NCCCO)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 143191779 FESJPTYXCWUOQM-UHFFFAOYSA-N 387.823 3.081 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)-c1cc(Cl)c3cccnc3c1NS2(=O)=O 141822926 JDKNCYCVLXPTGT-UHFFFAOYSA-N 387.848 3.371 0 1 GGAF COCCOc1cc(C=O)c(OCc2cccnc2-c2ccnn2C(C)C)cn1 146040236 HMGCCDCLKQOPFK-UHFFFAOYSA-N 396.447 3.338 0 1 GGAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cncnc2[nH]1 587168551 ZJQOHDRDSVPIJW-UHFFFAOYSA-N 375.410 3.021 0 1 GGAF C[C@]1(c2nc3ccc(Br)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173403 ZVADLVQRAPBYJI-MRXNPFEDSA-N 376.185 3.488 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3nnnn3C)c(Cl)c1)O2 587374010 FRAUGEVLLFQVGL-KRWDZBQOSA-N 399.838 3.040 0 1 GGAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3nnnn3C)c1)CC2=O 587474958 IPFSSPSPIUNJDT-IBGZPJMESA-N 394.431 3.154 0 1 GGAF Nc1cccc(-c2nc3ccc(I)cc3[nH]2)c1C(=O)O 587248120 DNAITCDCXYOWMN-UHFFFAOYSA-N 379.157 3.115 0 1 GGAF CC1=C[C@]2(C=C(C(=O)O)N1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587758810 JNEQFKKEIJYCGD-VVVCHXIZSA-N 381.245 3.135 0 1 GGAF O=C(c1cnc(Cl)cn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657953 DZNWDWLMFDAKGA-UHFFFAOYSA-N 380.766 3.335 0 1 GGAF CCOc1cccc([C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1OC(F)F 963528548 UGLBPHFPVNXARC-YOEHRIQHSA-N 393.386 3.389 0 1 GGAF Cc1ccc2c(n1)N(C)C=C(C(=O)O)[C@]21c2ccc(F)cc2C[C@H]2CCCN21 963106256 RGYBSVQYESFZMV-ZHRRBRCNSA-N 379.435 3.212 0 1 GGAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccncc2)c1F 1772653388 WTEVXJATQCJKAB-XHDPSFHLSA-N 377.847 3.410 0 1 GGAF O=C(/C=C/c1ccccc1)O[C@@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1 14487457 PUFYZCKVLOYPHL-RDEAYVQJSA-N 394.515 3.107 0 1 GGAF in-vitro O=C(Nc1ccc(F)cc1)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)c1 169336854 FEBWBIZCPPDNKH-DCCCRPSOSA-N 394.402 3.214 0 1 GGAF COc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(OC)c(OC)c2)n1 206739786 ISXZHBHWALQJQC-UHFFFAOYSA-N 384.411 3.358 0 1 GGAF CCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 165334326 HNJJBTOZBLOWTO-GOSISDBHSA-N 394.454 3.060 0 1 GGAF Cc1ccc(NC(=O)N[C@H]2CCN3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3C2)cc1 3838454 BMPPBKQRDYVRDG-HKUYNNGSSA-N 392.459 3.425 0 1 GGAF biogenic CCc1c(C)nc2ncnn2c1N1CCC[C@H](C(=O)Nc2cc(F)ccc2C)C1 4898204 LXUDUXGAKWUGIQ-HNNXBMFYSA-N 396.470 3.298 0 3 GGAF Cc1cc(C)cc(NC(=O)C[C@H]2CC(=O)N[C@@H](SCc3ccccc3)N2)c1 209083637 VGDALGVCXNQBSG-RXVVDRJESA-N 383.517 3.327 0 1 GGAF O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1)N1CCOCC1 4208525 QYPXEDWLDCWRBG-WBVHZDCISA-N 376.865 3.352 0 1 GGAF C[C@@H](OC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2)C(=O)Nc1ccc(N2CCOCC2)cc1 101686973 HRONWSQSJGBSHP-BRSBDYLESA-N 386.492 3.220 0 1 GGAF c1ccc(Cn2cnc3c(Nc4ccccc4)nc(N4CCNCC4)nc32)cc1 53242816 FBOIWZGWDGIOJR-UHFFFAOYSA-N 385.475 3.028 0 1 GGAF COc1cc2c3c(c1)[C@H](C(=O)Nc1nc4ccccc4s1)C(=O)N3CCC2 26168824 GOJJFFXBKVYEOR-MRXNPFEDSA-N 379.441 3.320 0 1 GGAF Cn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2cccnc21 28526443 YUGYYQVBTSNCOK-UHFFFAOYSA-N 391.456 3.064 0 1 GGAF Cc1ccc(O)c(C(=O)NCCCCCCNC(=O)c2cc(C)ccc2O)c1 28242591 KYTXMSREBJBMDJ-UHFFFAOYSA-N 384.476 3.435 0 1 GGAF CO[C@@H]1CC(=O)[C@]2(CC(=O)O[C@H]2C=C(C)CCC=C(C)C)C[C@H]1OC(C)=O 2356731763 YGWPHAWAXUILGD-PLOVASNDSA-N 378.465 3.291 0 1 GGAF CCc1nc(Cl)c([C@@H]2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC(C)(C)C)[nH]1 38279681 MMRKDIJEBXWECN-CQSZACIVSA-N 395.887 3.375 0 1 GGAF CCCN1C(=O)N2C[C@@H](CC)N=C2c2[nH]c(C34CCC(C(=O)O)(CC3)CC4)nc21 36273974 OPYSBGBVQBZGHC-ZJDGCUJOSA-N 399.495 3.277 0 1 GGAF COc1cc2c(cc1OC)[C@]1(OC)C(=O)c3cc4ccoc4cc3O[C@H]1CO2 14450981 DGLSPEHHYIIOPE-PZJWPPBQSA-N 382.368 3.328 0 1 GGAF biogenic CC(=O)Nc1ccc([C@@H]2N[C@H](C(=O)NC34CC5CC(CC(C5)C3)C4)CS2)cc1 45358284 BPIQFTBQNIPKFV-ZOCSCPGDSA-N 399.560 3.434 0 1 GGAF CC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)NC(C)C 95894868 FBEAZEFQULRAGL-BHIFYINESA-N 399.535 3.027 0 1 GGAF O=C(c1nc2ccccc2[nH]1)N1CC[C@H](Oc2ncccc2C2=CCOCC2)C1 96168915 COWMUSACWJSPJW-INIZCTEOSA-N 390.443 3.055 0 1 GGAF CC(=O)O[C@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C(=O)O[C@@H]4O[C@H](O)[C@]12[C@@H]43 238752126 SJUIUZNWNSLYJG-GPYQVWIXSA-N 392.492 3.015 0 1 GGAF CCCCN1CCC(CNC(=O)c2c3n(c4cc(O)ccc24)CCCO3)CC1 96286466 BBTVQUWEONDCQJ-UHFFFAOYSA-N 385.508 3.371 0 1 GGAF O=C(Cc1csc(-c2ccccc2)n1)N[C@@H](c1ccccn1)C1CC(O)C1 230504536 LBGHBFKMZQVGQK-MKJPBZQASA-N 379.485 3.376 0 1 GGAF CCC(=O)c1ccccc1OC[C@H](O)CN1CCN(c2ccccc2C)CC1 96941804 YOPAJCGNCYGJON-LJQANCHMSA-N 382.504 3.150 0 1 GGAF Nc1cccc(O)c1-c1nc2c(I)cnc(Cl)c2[nH]1 587250423 ORCTWFQFZAEADY-UHFFFAOYSA-N 386.580 3.171 0 1 GGAF COC(=O)[C@@H]1[C@H](C)CC(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587803711 BOCWGLFWQWUEBF-HUTXTBKWSA-N 398.272 3.106 0 1 GGAF Cc1nc2nc(-c3cccnc3SCC(=O)O)[nH]c2cc1Br 586967021 PATHJKUTOOQTIB-UHFFFAOYSA-N 379.239 3.268 0 1 GGAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cnnc(O)c3[nH]1)N2 587030949 KEURJWNFBGFNLZ-SMSHQHMSSA-N 388.478 3.185 0 1 GGAF COC(=O)c1cc2[nH]c([C@@H](N)Cc3c[nH]c4ccc(F)cc34)nc2cc1OC 587175120 PSGRVGCYCPVUCS-AWEZNQCLSA-N 382.395 3.221 0 1 GGAF CC(=O)N[C@H](Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1)c1ccc(C)cc1 587217185 UNSQZDUJUITGEV-OAQYLSRUSA-N 391.519 3.043 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@H]([C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)NCC2 962928498 YRUYZQBGFKEODR-QRQLOZEOSA-N 387.524 3.269 0 1 GGAF Cc1ccc(C)c([C@]2(CCC(=O)O)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963020226 DSJINMSPYBIZQK-WAIKUNEKSA-N 378.472 3.465 0 1 GGAF O=C(Nc1ccccc1)N1CCN(Cc2cccc(Br)n2)CC1 200260741 QSWQVAFKCCHPSL-UHFFFAOYSA-N 375.270 3.194 0 1 GGAF Cc1ccc2ncc(S(=O)(=O)c3ccc(F)cc3)c(N3CCOCC3)c2c1 201537173 BORYPEDWDNNWQA-UHFFFAOYSA-N 386.448 3.352 0 1 GGAF CC(C)(C(=O)NCc1cccs1)n1cc(-c2ccc3c(c2)OCCO3)cn1 205228464 VDMXTNPPRPICJR-UHFFFAOYSA-N 383.473 3.434 0 3 GGAF CCN=c1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)c[nH]1 1857645330 KHEKCWKGNNYJEO-UHFFFAOYSA-N 388.880 3.452 0 1 GGAF Cn1c([N+](=O)[O-])cnc1-c1nnc(SCc2cccc([N+](=O)[O-])c2)s1 34074161 NJFYCCRUNUZOGM-UHFFFAOYSA-N 378.395 3.047 0 1 GGAF O=C(NCc1ccccc1)[C@H](c1cccs1)N(C(=O)c1csnn1)C1CC1 4399730 RZLUNFHGFORIID-KRWDZBQOSA-N 398.513 3.262 0 3 GGAF Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O[C@@H]2CC[C@@H]3CC=C[C@H]32)cc1 105523007 VWXKZFFUVFUIOE-JCHJZTRSSA-N 375.490 3.046 0 1 GGAF O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CCCN1CCc2ccccc2C1 103172556 GGQWIHGMJUWMCM-DEOSSOPVSA-N 389.499 3.218 0 1 GGAF Fc1cc(Cl)ccc1CN1CCC(NC2[C@H]3CC4C[C@H]2CN(C4)C3)CC1 101631349 YMBUIWRLRIBYNI-ZZUNWWICSA-N 377.935 3.373 0 1 GGAF CCCNC(=O)Nc1ccc(C(=O)n2nc(C)c(Br)c2C)cc1 29393631 RSLPKJUHTPETCC-UHFFFAOYSA-N 379.258 3.482 0 1 GGAF CC(C)(C)Sc1ccc(S(=O)(=O)CS(=O)(=O)C(F)(F)F)cc1 38964449 ZGJWCWAEUOVTQP-UHFFFAOYSA-N 376.443 3.243 0 1 GGAF COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC(=O)C=C(C)C)ccc1O 210468269 ZOPQPGYSYRWKJY-UHFFFAOYSA-N 398.367 3.457 0 1 GGAF CC(=O)O[C@H]1C(COC(=O)c2ccccc2)=CC=C[C@H]1OC(=O)c1ccccc1 14489394 ZBHLLVTXWGMEMT-RTWAWAEBSA-N 392.407 3.497 0 1 GGAF biogenic O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1)c1cccc(F)c1 95895406 XIHDTVJMFQTOIK-DNVJHFABSA-N 390.458 3.339 0 1 GGAF C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@H]3C(C)=CC[C@@H](OC(C)=O)[C@]3(C)CC[C@H]21 238772387 TURJFYBHQNTMCA-KGINRGLMSA-N 390.476 3.494 0 1 GGAF CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F 95894274 NSLHUDQKDUGEFF-NJYVYQBISA-N 383.467 3.094 0 1 GGAF Brc1cccc(CN[C@H]2[C@H]3[C@@H]4[C@@H]5[C@@H]6C[C@@H]([C@H]53)[C@@H]2[C@@H]6C42OCCO2)c1 261180680 WAUBOCWMTBAXMK-SGHGLHDTSA-N 388.305 3.038 0 1 GGAF Nc1cccnc1C(=O)Nc1ccc(N2Cc3ncccc3C2=O)c(Cl)c1 653845102 OVNPZKKOYABVCD-UHFFFAOYSA-N 379.807 3.125 0 1 GGAF COC(=O)[C@]1(c2ccccc2Br)CC(=O)c2cc(C)cc(N)c2O1 587376796 KMFWFTPKGOLHCK-GOSISDBHSA-N 390.233 3.373 0 1 GGAF Oc1c(Br)ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 587128191 IEVBKROKASLTCG-UHFFFAOYSA-N 381.140 3.073 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)N(C)C)CC2)N1 587767017 IBUKRDMARXAGJB-LLVKDONJSA-N 384.293 3.095 0 1 GGAF CS(=O)(=O)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587007707 POHBZGHWMYEPKE-UHFFFAOYSA-N 386.658 3.444 0 1 GGAF Cc1c(Br)ccc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c12 587142298 SJYFQCQNJHYYII-UHFFFAOYSA-N 384.230 3.087 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1cn(CCC(N)=O)c4ccccc14)[C@@H](C2)C3=O 587430408 HOPPUSRZKRITSG-OYHNWAKOSA-N 376.412 3.014 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1 587871729 BVJDWMMOBPUJHI-PMPSAXMXSA-N 389.471 3.473 0 1 GGAF CCOC(=O)[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587706699 RUOQISGVWQKOCM-UHLUBPPHSA-N 384.167 3.443 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597252 QJKDGDHIZKRWDK-LAUBAEHRSA-N 384.384 3.025 0 1 GGAF COc1ccc(-n2cc([C@H]3c4c(ccc(OC)c4OC)C[C@H](C)N3C)nn2)cc1 962637444 WWORFWIFQHTGAG-QKKBWIMNSA-N 394.475 3.259 0 1 GGAF CCOC(=O)[C@@]1(c2ccc(C(C)C)cc2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963551298 MUOCPLSHBABTTJ-CVDCTZTESA-N 397.471 3.230 0 1 GGAF CC(C)c1nc2c(s1)CCN(C(=O)c1cc3ncc(Cl)cn3n1)CC2 150231920 SLJUBBDNWOFUGZ-UHFFFAOYSA-N 375.885 3.204 0 1 GGAF CN(C)C(=S)SCC(CSC(=S)N(C)C)C(=O)c1cccnc1 207734962 LYXASGZKKIVTHZ-UHFFFAOYSA-N 387.621 3.040 0 1 GGAF COc1ccc2c(c1)c1nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)nc1n2C 1366293 TWPCNTBDKYFQRE-CHWSQXEVSA-N 399.520 3.407 0 3 GGAF aggregator COc1cccc(CNC(=O)c2ccc3nc(N4CCOCC4)sc3c2)c1 6806332 FTUSUVOUPSYGLJ-UHFFFAOYSA-N 383.473 3.072 0 1 GGAF CCCCN(CC)CCCNC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2 6819694 ZPRFNNIDUHONDS-UHFFFAOYSA-N 384.524 3.379 0 1 GGAF O=c1[nH]c2ccccc2c(Cc2ccccc2)c1NS(=O)(=O)C(F)(F)F 29391713 IILDUBCJUYNQNN-UHFFFAOYSA-N 382.363 3.380 0 1 GGAF O=c1nc(N(Cc2ccccc2)Cc2ccccc2)ccn1[C@@H]1CC[C@H](CO)O1 28219179 BYNTVUAKPALDHQ-IRLDBZIGSA-N 391.471 3.120 0 1 GGAF O=c1[nH]c2cccc(Cl)c2n1C1CCN(C[C@H]2COc3ccccc3O2)CC1 27887773 JIFBOMGDOOZQKV-HNNXBMFYSA-N 399.878 3.460 0 1 GGAF Cn1nc2c(c1CCC(=O)Nc1ccccc1C(=O)O)CCc1cc(O)ccc1-2 45483863 VRGDFIQDEBFXNC-UHFFFAOYSA-N 391.427 3.161 0 1 GGAF c1cc(OCCCCCOc2cccc(C3=NCCN3)c2)cc(C2=NCCN2)c1 40430817 SACXZVPLUYFHLI-UHFFFAOYSA-N 392.503 3.014 0 1 GGAF CCOc1ccccc1-c1nc(C(=O)N[C@H](Cc2ccccc2)C(N)=O)cs1 82069143 SRNVMTDVXLLELV-MRXNPFEDSA-N 395.484 3.035 0 1 GGAF O=C(c1cc(CO)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCCC1 143503419 ZCRRVQBUWKXZQM-IBGZPJMESA-N 377.362 3.194 0 1 GGAF CCN(C[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(C)=O)C(C)=O 95871978 WRPLCDPEUZOWSG-DNVJHFABSA-N 398.478 3.036 0 1 GGAF COC(=O)[C@H]1[C@H](c2cccc(I)c2)C[C@H]2CC[C@H]1N2C 261187048 XUBVUMLIQBPHGD-BARDWOONSA-N 385.245 3.031 0 1 GGAF CC(=O)CC(=O)O[C@@H](C)CCCCC[C@H]1C[C@H]2CC[C@H]3C[C@@H](C)N=C(N1)N32 377813104 PHRQNMKILBKKIK-VINWQNLFSA-N 377.529 3.191 0 1 GGAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cc(Cl)ccn1 299840646 YDVGVOUBSBPYLT-UHFFFAOYSA-N 385.203 3.158 0 1 GGAF O=C1[C@@H]2[C@@H]3C[C@H]4[C@H]5[C@@H]3[C@@H]1[C@@H]5[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H]42 587603544 NFYLWRKQZDBMMC-QKWUYNKCSA-N 386.403 3.049 0 1 GGAF CCOC(=O)c1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 587193172 BZLRXGNANZGSQH-UHFFFAOYSA-N 395.459 3.259 0 1 GGAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2cccnc2)[C@H]1c1ccc(F)cc1 587337675 MGXVINYTMVTYNS-RXVVDRJESA-N 379.343 3.265 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(Cl)cc1S(C)(=O)=O)[C@@H](C2)C3=O 587448474 JMWILGXKCUQFSZ-SCLBCKFNSA-N 378.833 3.241 0 1 GGAF O=S(=O)(/C=C\c1nc2c(F)cnc(Br)c2[nH]1)c1ccccc1 586924023 FDFCRECZRCPATP-SREVYHEPSA-N 382.214 3.304 0 1 GGAF COc1ccc([C@@]2(CO)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600546 OIBRVZJKPUIHMR-SIKLNZKXSA-N 378.380 3.250 0 1 GGAF C[C@@H](C(=O)O)c1cc2c(O)nc(O)nc2nc1-c1cccc(Br)c1 587367532 YBKZVRICZOUCRJ-SSDOTTSWSA-N 390.193 3.054 0 1 GGAF Cc1nn(CCO)c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587753375 AXWRYJSFWVTJOK-VVVCHXIZSA-N 382.277 3.017 0 1 GGAF Cc1cc2c(cc1O)[C@]1(CCCc3c1c1ccccc1n3C)N[C@H](C(=O)O)C2 963509493 NQUWIDJSVLUXCN-SBUREZEXSA-N 376.456 3.371 0 1 GGAF CN1C(=O)C[C@H]2CN[C@@H](c3ccc(OCCn4ccnc4)cc3)c3cccc1c32 963032838 TXPDRARDYRSNFR-SBUREZEXSA-N 388.471 3.105 0 1 GGAF COc1cc2c(cc1OC)[C@H](c1cnc(C)o1)N(C(=O)c1ccccc1N)CC2 963138289 GFXWJTAURLMZCA-OAQYLSRUSA-N 393.443 3.370 0 1 GGAF O=C(NCc1ccccc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)cc1 1772618795 ZTOPVKQGBCHWSM-UHFFFAOYSA-N 398.466 3.219 0 1 GGAF COC[C@H]1CCCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1 12315157 KJMXYQMHMJROBS-HNNXBMFYSA-N 381.432 3.300 0 3 GGAF O=C(/C=C\c1ccccc1)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1 14487461 PUFYZCKVLOYPHL-CACAJIHSSA-N 394.515 3.107 0 1 GGAF in-vitro O=C1C[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc(Br)cc1 1080949 NLBXEOXLWWKKIA-ZDUSSCGKSA-N 380.263 3.154 0 1 GGAF C[C@]1(O)CCN(C(=O)C2CCC2)[C@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 2356407678 HTUHAPYNGGGTJN-DXIQSLLYSA-N 398.528 3.371 0 1 GGAF O=C1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)CCN1Cc1ccncc1 59287563 KEEXXUCVOKJQRR-UHFFFAOYSA-N 397.784 3.238 0 1 GGAF CCOC(=O)c1c(C)cc2cnn(-c3ccc(OC)c(OC)c3)c(=O)c2c1C 28759393 JSZFNNSGVUYOLX-UHFFFAOYSA-N 382.416 3.196 0 1 GGAF Cc1ccc(OC2CCN(C(=O)c3cc(=O)c4cc(O)ccc4[nH]3)CC2)cc1 28817945 XNCXZLFRTYDNRY-UHFFFAOYSA-N 378.428 3.226 0 1 GGAF CN(CCCn1ccc(NC(=O)OCc2ccccc2)nc1=O)Cc1ccco1 61922428 DIFAZXYQPSGFGV-UHFFFAOYSA-N 396.447 3.107 0 3 GGAF CC=C(NC(=O)C[C@H](CCCCC)NC(=O)[C@@H](C)[C@H](N)CCCCC)C(=O)O 2356696595 HBLQRZAKYHYRIC-YESZJQIVSA-N 397.560 3.090 0 1 GGAF CCOC(=O)CN1C(=O)[C@]2(CC(C)=C[C@H](C)O2)c2c(Br)cccc21 66114199 WNGRHFOZZPJEOQ-SGTLLEGYSA-N 394.265 3.309 0 1 GGAF C[C@@H](C(N)=O)c1ccccc1CCc1nc(Nc2ccnnc2)ncc1Cl 211023313 JGVFAQMWQRTRLJ-GFCCVEGCSA-N 382.855 3.038 0 1 GGAF CCOC(=O)c1cc(-c2sc(-c3ccccc3)nc2N2CCOCC2)n[nH]1 34291822 AWKHHQUOEKSJQX-UHFFFAOYSA-N 384.461 3.214 0 1 GGAF COc1ccc(OC)c(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)c1 14436553 UUTKODMHZDAAAM-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic COc1ccc(-c2nnc(CNc3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc1 73169133 QAEMFQADQACRCA-UHFFFAOYSA-N 391.431 3.155 0 1 GGAF CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(N4CCCC4)nc3)c2)cc1 84725679 IUKLRMWZRDHRQA-UHFFFAOYSA-N 394.500 3.397 0 1 GGAF CC[C@H](CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O)CNC 85628511 ZKZBDQUWMKYYHZ-NZSAHSFTSA-N 381.513 3.042 0 1 GGAF biogenic,in-vitro CCCS(=O)(=O)N1CC(c2ccc3c(c2)[C@H](Cc2ccccc2)[C@@H](N)CC3)C1 88261136 IANRWCRHABAVHX-GOTSBHOMSA-N 398.572 3.425 0 1 GGAF O=C1COc2ccccc2N1C[C@H](O)COc1cccc2[nH]c3ccccc3c12 96939728 YPFNLSINZRNREH-HNNXBMFYSA-N 388.423 3.486 0 1 GGAF Cc1cn(-c2ccc3n(c2=O)CCN(Cc2cccc4ccccc24)C3=O)cn1 299870020 VSDFLVWDQNDGDM-UHFFFAOYSA-N 384.439 3.152 0 1 GGAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 299876766 GGCKCPKZADUGGX-LXGCGDOSSA-N 385.895 3.498 0 1 GGAF CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=CN1C 587759481 LFZKYHLMOXZSEU-XYZCENFISA-N 381.245 3.135 0 1 GGAF O=C(c1n[nH]c2c1CCCC2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661680 RFGUYMAJOVWZMG-UHFFFAOYSA-N 388.402 3.493 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(C(=O)C1CC1)CC2 587581368 HFBIXVPGGWPMQJ-GOSISDBHSA-N 379.412 3.125 0 1 GGAF CN(C)S(=O)(=O)c1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 587142469 BGZNOZMBGPSXJM-UHFFFAOYSA-N 398.257 3.382 0 1 GGAF CN1CCN(c2ccc3nc(/C=C\C(=O)Nc4ccc(F)cc4)[nH]c3c2)CC1 587167576 VYPUTJAGRFYLQX-HJWRWDBZSA-N 379.439 3.106 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(=O)Nc1ccccc1 587867393 CUHHPVZDYSAQRS-UHFFFAOYSA-N 390.321 3.251 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NC[C@@H]1CCCO1 587863309 GBTDNMFYUPQYLN-NSHDSACASA-N 385.411 3.479 0 1 GGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(C)nc2[nH]1 586935917 JVKMZHRFJHALRQ-HNNXBMFYSA-N 376.507 3.039 0 1 GGAF Cn1nnnc1COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587517849 WGBOMLBZEGBLIP-FQEVSTJZSA-N 390.443 3.374 0 1 GGAF CCOC(=O)/C(=C\N(C)C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587738684 CATGRIMUNWGTGH-WDJPSEDBSA-N 399.304 3.346 0 1 GGAF CCOC(=O)COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587401454 RDVCNABAAMWLFN-GOSISDBHSA-N 385.416 3.234 0 1 GGAF O=C(O)C1CCN(c2ccnc3cc(I)ccc23)CC1 957663671 LZAUXUAKDHIMII-UHFFFAOYSA-N 382.201 3.140 0 1 GGAF CC(C)(C)c1ccc(CN2CCn3nc(C(=O)N4CCCCC4)cc3C2=O)cc1 1772632137 PVQWVSISZPQWKK-UHFFFAOYSA-N 394.519 3.463 0 1 GGAF C=CC(=O)Nc1ccccc1[C@H]1CCNc2c(C(N)=O)c(-c3ccccc3)nn21 1772636055 JBBORWIBODUOCL-QGZVFWFLSA-N 387.443 3.179 0 1 GGAF O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21 13115577 LSGCURXUUXADFZ-ZSYWTGECSA-N 394.858 3.175 0 1 GGAF O=C(O)C1CCN(c2nccc3nc(NCc4ccc(F)cc4)ncc23)CC1 13366905 WKAAWMYFYGPLAU-UHFFFAOYSA-N 381.411 3.077 0 1 GGAF Cc1nc(C(=O)NC2CCOCC2)sc1[C@@]1(C)CC(c2ccccc2)=NO1 13478226 JWUZAPCXICFUSL-HXUWFJFHSA-N 385.489 3.400 0 3 GGAF COC[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O 1857541425 CAXQLHIXVZVOAJ-JOCHJYFZSA-N 394.515 3.142 0 1 GGAF COc1cc(C(=O)N(C)C)ccc1N=c1nc(OC2CCCC2)c2cc[nH]c2[nH]1 1857610104 MECVZQUPJAELHS-UHFFFAOYSA-N 395.463 3.155 0 1 GGAF CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ncccc1Cl 1857615254 UWUZKGAPUBCDFO-UHFFFAOYSA-N 379.917 3.319 0 1 GGAF CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1ccc(Cl)cc1 7551087 UIGTWCXRJSOGMP-MRXNPFEDSA-N 380.828 3.108 0 3 GGAF COC[C@](O)(Cn1cncn1)c1ccc(Oc2ccc(F)cc2)cc1Cl 103213888 ZLOMZPYYPBJPNG-GOSISDBHSA-N 377.803 3.397 0 1 GGAF Cc1cccc(NC(=O)C2=CC3=N[C@@H](C4CC4)C[C@@H](C(F)(F)F)N3N2)c1C 104008495 NKLOGPYPQNYXFM-ZBFHGGJFSA-N 378.398 3.458 0 3 GGAF O[C@H](c1ccc(Cl)cc1Cl)[C@](O)(Cn1cncn1)c1ccc(F)cc1 26013674 OUFWMMBYXWYRDP-SJORKVTESA-N 382.222 3.345 0 1 GGAF CC(C)NC(=O)OCC1=C(COC(=O)NC(C)C)[C@@H](c2ccccc2)N(C)C1 26270490 NIMTXERRUJKTCJ-LJQANCHMSA-N 389.496 3.239 0 1 GGAF O=C(O)CCCNC(=O)[C@H](Cc1ccccc1)C[C@H](Cc1ccccc1)C(=O)O 26509016 QJELJDHYIVQIJV-UXHICEINSA-N 397.471 3.160 0 1 GGAF CCOP(=O)(OCC)[C@@H](OC(C)=O)c1cc2ccccc2n2nnnc12 49068620 QWNYQLPKEVHOFE-MRXNPFEDSA-N 378.325 3.105 0 1 GGAF CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1coc(-c2ccc(C)cc2)n1 82070476 VTKYBJHPOHFBNH-MRXNPFEDSA-N 387.480 3.091 0 1 GGAF C[C@H]1CN(c2ccc3ccccc3n2)CCN1CCCCN1C(=O)CCCC1=O 40943323 SKYIZGBNQOMMFP-SFHVURJKSA-N 394.519 3.065 0 1 GGAF O=S(=O)(N[C@H]1[C@H]2CCCC[C@]1(C1=NCCN1)CC2)c1ccc(Cl)s1 40614184 OLLQXCBDIMYQRB-PJODQICGSA-N 387.958 3.021 0 1 GGAF O=C1NC[C@@H](Cc2cccc3ccccc23)N(CCc2cccc(F)c2)C1=O 95603014 KZQGPDLWUTWUPN-HXUWFJFHSA-N 376.431 3.091 0 3 GGAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@H]2[C@H]3O[C@H](C[C@](C)(O)CCC[C@@]3(C)O)[C@@H]21 238766546 BLMRZMAUEMLTCH-MHGHICSPSA-N 382.541 3.450 0 1 GGAF COc1ccc([C@H]2CC(=O)C[C@@H](CCn3cc(-c4ccccn4)nn3)O2)cc1 96018635 ISQFMSUDRNBDIT-WIYYLYMNSA-N 378.432 3.228 0 3 GGAF CCCN1CC([N+](=O)[O-])=C2N(C[C@@H]3CCC[C@H]3N2Cc2ccc(Cl)nc2)C1 299847941 TVLPSSZZIGNLEH-JKSUJKDBSA-N 391.903 3.150 0 1 GGAF COC(=O)C[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587772389 NRUKQICAAAUYLX-ADLMAVQZSA-N 393.256 3.324 0 1 GGAF COC(=O)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2n1 587018275 ZSJCLBQPCLTMKL-UHFFFAOYSA-N 378.413 3.470 0 1 GGAF CN=c1[nH]c(Cl)ncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552257 PFQQXDRWPLRUAP-PBHICJAKSA-N 383.791 3.002 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2c1 587244594 QAXXESFRGXMESS-QXMHVHEDSA-N 398.488 3.293 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(O)ccc12 587791104 IFXFBKTYTXWWIX-RBHXEPJQSA-N 377.213 3.024 0 1 GGAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)cc2N1 587126151 WFVZYKQHRQEDGK-AMIZOPFISA-N 399.398 3.137 0 1 GGAF O=C(c1ccn(COc2ccc(F)cc2)n1)n1ncc2ccc(Cl)cc2c1=O 587652184 NNLKYXIIQWSOAO-UHFFFAOYSA-N 398.781 3.111 0 1 GGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 587229393 APEPBZZQLIIJFN-QWRGUYRKSA-N 396.285 3.067 0 1 GGAF COc1ccc2c(c1)[C@@H]([C@@H](CCO)NC(=O)OC(C)(C)C)N(C(C)C)CC2 962093659 SVRWFJAJBWZQRY-MOPGFXCFSA-N 378.513 3.279 0 1 GGAF CC1=C(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C2(CCC(C)CC2)OC1=O 5058800 LSINAYJHQKACRA-WOWRSWPSSA-N 385.460 3.457 0 3 GGAF COc1ccc(C(=O)NC2CC2)cc1OC1CCN([C@@H](C)CSC)CC1 11997628 AQQHFQNOUFVHET-AWEZNQCLSA-N 378.538 3.182 0 3 GGAF COc1cccc2c1CCC[C@@H]2NC(=O)CN1CCN(c2ccccc2)CC1 13757361 ZFSPQLXKVJSAMN-NRFANRHFSA-N 379.504 3.011 0 1 GGAF C[C@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(C(=O)C1CC1)CC3 13817643 PYYZXCSHEAVJPQ-HNNXBMFYSA-N 378.472 3.417 0 1 GGAF CNCc1ccc(C(=O)Cn2ccc(OCc3ccccc3)cc2=O)c(C)c1 169711372 WJVBEYXQECLHFH-UHFFFAOYSA-N 376.456 3.338 0 1 GGAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([C@H](C#N)c2ccc(Cl)cc2)CC1 207081916 RCJMVXOOADTNLX-QGZVFWFLSA-N 392.912 3.388 0 1 GGAF CC(=O)c1cccc(-c2cccc(NC(=O)CCc3cccc4c3B(O)OC4)c2)c1 1857553807 SGCHPTWEWZMDHT-UHFFFAOYSA-N 399.255 3.345 0 1 GGAF CCCCC[C@H](O)CCCN(CCCc1ccc(C(=O)O)cc1)S(C)(=O)=O 27083630 MPZHMBQFXTWUTF-IBGZPJMESA-N 399.553 3.300 0 1 GGAF CCNC[C@@H]1[C@H]2C=C[C@H]3[N@]([C@H]2[C@H](c2ccc(C=O)cc2)C2CCCCC2)[C@@]13O 2356366769 PZVOQJJAHWFYHS-FZOAOVCVSA-N 380.532 3.330 0 1 GGAF Cc1ccc(CN2CCN(CC(=O)N[C@@H](C)CCc3ccccc3)C2=O)cc1 4668146 YKWPQAFIYPOHOY-IBGZPJMESA-N 379.504 3.370 0 3 GGAF CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccccc3)C2)cc1 28465489 CZBVRSQZYXPXJA-NRFANRHFSA-N 381.520 3.021 0 1 GGAF Cc1ccc2c(n1)CC[C@H]2NC(=O)COc1cc(C)c2c(C3CC3)nn(C)c2n1 117511496 FVNQXXWGMZMSAA-QGZVFWFLSA-N 391.475 3.040 0 1 GGAF O=C(O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@H]1CC[C@@H](O)CCc1ccccc1 60027306 HNPFPERDNWXAGS-JMVOXKRNSA-N 390.520 3.319 0 1 GGAF CC1(C)CC(=O)C[C@@]1(C)C1=CC=C(C(=O)OCC[C@@](C)(O)CC(=O)O)CC1 2356754692 JZUOBSDSXWOFCX-RTWAWAEBSA-N 378.465 3.187 0 1 GGAF Cc1ccc(NC(=O)CN2CCCN(Cc3nc4ccccc4[nH]3)CC2)cc1C 49125903 GZBYLXMGTRNKNZ-UHFFFAOYSA-N 391.519 3.326 0 1 GGAF Nc1cccc2c1nc(-c1ccc(P(=O)(O)O)o1)n2CC1CCCCC1 45284921 HWCFFEVBCUSIJV-UHFFFAOYSA-N 375.365 3.262 0 1 GGAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(Nc2ccccc2)n1 82081131 VUHBDYIZUCNYTK-MRXNPFEDSA-N 381.457 3.401 0 1 GGAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(CN(C)C)[nH]c2c1 43060831 NLDWRDHXWJMTRW-UHFFFAOYSA-N 398.459 3.495 0 1 GGAF CCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1cnc(N(C)C)cc1C 45316654 QOIPROZKQKARQO-UHFFFAOYSA-N 397.527 3.065 0 1 GGAF CC1(C)C[C@H](O)C[C@](C)(CNc2cc(C(F)(F)F)cc(S(N)(=O)=O)c2)C1 84605312 RLSWFJFGVIJBCY-BBRMVZONSA-N 394.459 3.342 0 1 GGAF CCCCc1cnc(SCC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)nc1 96940229 FCMDKUGOIUBLEU-UHFFFAOYSA-N 399.925 3.095 0 1 GGAF CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)N(C)c1cc(OC)ccc14)[C@@H]32 238757333 KILNDJCLJBOWAN-VABKMULXSA-N 380.488 3.254 0 1 GGAF Cc1csc(NC(=O)c2ccc(COc3ccccc3S(C)(=O)=O)o2)n1 95755654 VWHUUGOIPHTULQ-UHFFFAOYSA-N 392.458 3.279 0 1 GGAF CN(C(=O)OC(C)(C)C)[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)O 36417478 VXLBPTHFGSVGQI-HNNXBMFYSA-N 380.441 3.013 0 1 GGAF biogenic NC(CO)(CO)CCc1ccc(-c2coc(Cc3ccc(Cl)cc3)n2)cc1 299836568 NMZPJCHWPBETHR-UHFFFAOYSA-N 386.879 3.201 0 1 GGAF CCCCOC(=O)Cc1cc(OCC)c(OCC(=O)N(CC)CC)cc1F 299833257 KIQKJJDEPFQSFB-UHFFFAOYSA-N 383.460 3.357 0 1 GGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)c(S(N)(=O)=O)c1)CC2=O 587490281 WUGWUGWSFWBSGL-INIZCTEOSA-N 395.864 3.352 0 1 GGAF COc1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 586946375 WATHHZOTRNCDOI-UHFFFAOYSA-N 389.458 3.372 0 1 GGAF CS(=O)(=O)/C=C\c1nc2cc(Br)c(Br)cc2[nH]1 586923544 PJYXPIFUMCPGFJ-IHWYPQMZSA-N 380.061 3.103 0 1 GGAF CCOC(=O)C[C@@]1(c2cccn2C)c2cccc(Br)c2CCN1C 963290455 VYTGQIUAEDSXBM-IBGZPJMESA-N 391.309 3.472 0 1 GGAF COc1ccc(OC)c2c1CCC[C@]21NC[C@H]2CC(=O)N(C)c3cccc1c32 963030209 QBFUYNDXAPUALR-QKFKETGDSA-N 378.472 3.337 0 1 GGAF COc1cc2c(cc1OC)[C@]1(CC(=O)N[C@@H](c3ccccc3)C1)N(C)[C@H](C)C2 962631466 RLNZCXRUXPVIOS-ZOUOIUENSA-N 380.488 3.427 0 1 GGAF Cc1ccc(S(=O)(=O)N2CCC3(CC2)NCCc2ccc(F)c(C)c23)cc1 962085835 AUGSHVNFRXEXPN-UHFFFAOYSA-N 388.508 3.268 0 1 GGAF COc1cc2c(cc1OC)[C@]1(CC(=O)N[C@@H](c3ccccc3)C1)N(C)[C@@H](C)C2 962631463 RLNZCXRUXPVIOS-YWBKXGLFSA-N 380.488 3.427 0 1 GGAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)C(CF)(CF)N1C(=O)c1ccccc1 963447674 MFSPCKOYTUCMLA-KRWDZBQOSA-N 384.382 3.454 0 1 GGAF COc1cc2c(cc1OC)[C@]1(CCn3c(O)nc4cccc1c43)N(C)[C@@H](C)C2 962569935 MOADQWUKGQRBML-WHEQGISXSA-N 379.460 3.283 0 1 GGAF COc1c([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc2c1OCO2 14696905 SLXJYSPIZFGDMP-YXUGBTPSSA-N 384.384 3.228 0 1 GGAF CC1=C[C@H]2[C@@H]3C(=O)N(NC(=S)NCc4ccccc4)C(=O)[C@@H]3[C@@H]1C[C@@H]2C(C)C 169304387 DXHRWRQLRWGVBH-NNIGNNQHSA-N 397.544 3.035 0 1 GGAF CN1CCN(c2cccc(-c3c[nH]c4ccc(-c5nnc(N)s5)cc34)n2)CC1 204769066 CSYNBNGKBZGJAV-UHFFFAOYSA-N 391.504 3.082 0 1 GGAF Cc1cc(-c2c(F)cc3/c(=N/NCCO)ccn(C4CC4)c3c2F)cc(C)n1 1539929 NHEMUISVWXTPLV-NLRVBDNBSA-N 384.430 3.331 0 1 GGAF Cc1csc2ncnc(N[C@@H]3Cc4ccc(C(=O)N5CCOCC5)cc4C3)c12 3629208 IDCRQTHLXZYHGT-QGZVFWFLSA-N 394.500 3.051 0 1 GGAF COc1cccc(Nc2ncc3nc(-c4ccc(F)cc4)c(=O)n(C)c3n2)c1 4239150 OASWZGWWOIMIEH-UHFFFAOYSA-N 377.379 3.282 0 1 GGAF CN1C(=O)/C(=C\c2cccc(-c3cc(=O)c4ccccc4o3)c2)N(C)C1=S 103286057 PLNQMWHTCZYIFX-LFIBNONCSA-N 376.437 3.490 0 1 GGAF CC(C)(O)COc1ncc(C(F)(F)F)cc1-c1ccc(S(C)(=O)=O)cc1 29465400 KBRHLLDONLJRFT-UHFFFAOYSA-N 389.395 3.321 0 1 GGAF COC(=O)c1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2 117626992 LISKEUTZSMPTKL-UZLBHIALSA-N 375.428 3.294 0 1 GGAF Nc1ncc(-c2ccc(OCCCN3CCC(Cc4c[nH]cn4)CC3)cc2)cn1 28569612 LGEYQYDXUVDVQZ-UHFFFAOYSA-N 392.507 3.173 0 1 GGAF O=C(c1cscn1)N1CCN2C(=O)c3ccncc3[C@@]12c1ccc(Cl)cc1 115087576 ZDHFTZLLCVOALC-LJQANCHMSA-N 396.859 3.004 0 1 GGAF COc1cc2c(cc1OC)[C@@H](CN1CCN(c3ccccc3C)CC1)OCC2 27883976 ASJPZIIKIPIQGG-HSZRJFAPSA-N 382.504 3.448 0 1 GGAF COCCO[C@@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O 49114564 BHUQHNKPTRMIAK-SFHVURJKSA-N 389.249 3.228 0 1 GGAF C/C=C/c1ccc([C@@H]2[C@H]3CN(Cc4ccc(C)cc4)CC(=O)N3[C@H]2CO)cc1 95795661 BTBGJPBJMAHVIJ-DZBXIVBCSA-N 376.500 3.199 0 1 GGAF CC(C)n1nc(-c2cnc3c(c2)C(C)(C)CN3)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21 148074566 FACPDCFJTNTJQB-LFUKPOHLSA-N 393.535 3.273 0 1 GGAF COc1ccc([C@H]2CC(=O)C[C@@H](CCn3cc(-c4cccnc4)nn3)O2)cc1 96018637 NLEMFZCDFURAAD-TZIWHRDSSA-N 378.432 3.228 0 3 GGAF CCC(=O)N(C)C[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(C)=O 95871814 MLEPPOVHFJCJLS-QZNHQXDQSA-N 384.520 3.188 0 1 GGAF C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccc(CCCC)cc1)C(=O)O 95563817 YUKCCHCQFUETDD-SFHVURJKSA-N 390.480 3.181 0 1 GGAF O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@]12c1ccncc1 299821677 KHSZKFIPTRXCKL-JOCHJYFZSA-N 391.377 3.173 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(CCCN3C(=O)C(CC)=C(C)N[C@H]31)CC2=O 587487204 VSHJBOSIIVLIBC-YADHBBJMSA-N 384.476 3.284 0 1 GGAF Cc1nn(Cc2nc3ccc(Br)nc3[nH]2)c(C)c1Br 586979097 QGRWFIGIPBLAIA-UHFFFAOYSA-N 385.063 3.345 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2CCS(=O)(=O)CC2)N1 587845736 RZLHNHSRUGBWFA-MGPLVRAMSA-N 390.318 3.162 0 1 GGAF CC[C@@H](c1nc2ccc(CO)cc2[nH]1)n1cc(I)c(C)n1 587184383 IZVYFVFAGPBOGI-AWEZNQCLSA-N 396.232 3.164 0 1 GGAF O=c1c(Br)c[nH]cc1-n1c(O)ccc1OCCc1ccccc1 587939912 FKFWUODXEDMRPB-UHFFFAOYSA-N 375.222 3.255 0 1 GGAF COc1cc2c(cc1OC)[C@H](c1cccc(S(C)(=O)=O)c1)N(C)[C@@H](C)C2 962629682 PRTCZHJZKXDGAW-RBZFPXEDSA-N 375.490 3.073 0 1 GGAF Cn1cc(C(=O)c2ccc(F)cc2)cc1[C@H]1c2ccsc2CCN1C(N)=O 962713381 UPCIJBXZZJTATK-GOSISDBHSA-N 383.448 3.483 0 1 GGAF CN(C)CC[C@]1(c2c[nH]c3ccccc23)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963022632 HGKVROYAGZATOT-FYSMJZIKSA-N 388.515 3.417 0 1 GGAF Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)c2cc[n+]([O-])cc2)cc1 12197475 DVIUGNCLONDWSR-IBGZPJMESA-N 376.460 3.258 0 3 GGAF O=C1c2ccccc2CN1CCN1CCN(c2nsc3ccccc23)CC1 12356213 UQLCGVMANUPFJO-UHFFFAOYSA-N 378.501 3.074 0 1 GGAF CC1=C(C(=O)OC(C)C)[C@H](c2cccc(C(F)(F)F)c2)N(C(N)=O)C(=O)N1 13820430 IYHLOUNZKOVOAZ-ZDUSSCGKSA-N 385.342 3.076 0 1 GGAF Cc1cccc2c(NCc3ccccc3F)nc(CNC(=O)[C@@H]3CCCO3)nc12 14884573 YFDHGEIYQJEHLS-SFHVURJKSA-N 394.450 3.485 0 1 GGAF Cc1c(C(=O)NCCN2CCCCC2)sc2ncnc(NCc3ccco3)c12 14992284 ZSDBUYFDWLCOCZ-UHFFFAOYSA-N 399.520 3.421 0 1 GGAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4206237 LOTZTURGWJIAKW-PUECVXPYSA-N 375.856 3.091 0 1 GGAF COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCCC[C@H]23)cc1OC 6769398 OFHDXPSNQZQZDF-YLJYHZDGSA-N 380.444 3.434 0 1 GGAF Cc1nn([C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c(=O)c2cc3occc3n12 6807372 SXIMFXHEXJBKOF-GJZGRUSLSA-N 392.459 3.249 0 3 GGAF COc1ccc(-c2nc(SC)nnc2-c2ccc(S(C)(=O)=O)cc2)cc1 103235961 ATDQDQLMBRWASH-UHFFFAOYSA-N 387.486 3.340 0 1 GGAF C[C@@H]([C@H](c1ccc2cc(OCC(C)(C)C(N)=O)ccc2c1)n1ccnc1)N(C)C 28332494 OZXGHWIQASWJQX-HRAATJIYSA-N 394.519 3.466 0 1 GGAF CC(=CCc1cc(C(=O)O)ccc1O)CC[C@H](O)[C@@]1(C)CC[C@@H](C(C)(C)O)O1 2356576258 UEDBFLUWLOXTGA-CNNODRBYSA-N 392.492 3.429 0 1 GGAF O=C(N[C@@H]1C[C@@H]1c1ccccc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28523799 VBZKKCQAHSFQIC-GXRSIYKFSA-N 377.488 3.369 0 1 GGAF CCN1CC(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)cc2)C1 115622792 GIEWFGZZYQYDBN-UHFFFAOYSA-N 377.492 3.235 0 1 GGAF CC(C)c1ccc(-n2cnc3cc(C(=O)NCCN4CCOCC4)ccc32)cc1 20757760 BKHYHSDTSKMQAV-UHFFFAOYSA-N 392.503 3.211 0 1 GGAF Cc1cccc(NC(=O)CN2CCCN(Cc3nc4ccccc4[nH]3)CC2)c1 49088263 UADSMKMMDJWMIC-UHFFFAOYSA-N 377.492 3.018 0 1 GGAF COc1cccc(CNC(=O)[C@@H]2CNC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 45303234 JKMUYZIVEFPNSR-QZTJIDSGSA-N 378.394 3.333 0 1 GGAF CC(=O)NCCn1c(-c2cccs2)nc2c(NCc3ccccc3)ncnc21 82178532 SBGZBZYFJNCVAI-UHFFFAOYSA-N 392.488 3.303 0 1 GGAF COc1cc2nc(N(C)Cc3ccccc3)nc(NC[C@@H](C)O)c2cc1OC 82129403 TZRGBXSGUUJMNG-CQSZACIVSA-N 382.464 3.076 0 1 GGAF CC(=O)OC[C@@H](CCC=C(C)C)[C@@H]1C2=C(C(=O)OC2)[C@@H]2C[C@@H]2[C@@H](C)C[C@@H]1O 140591253 DSZIQDGTCDPEDH-KVNSJDMASA-N 376.493 3.419 0 1 GGAF CC(C)Cc1sc(-c2nccs2)nc1C(=O)NCCCCCC(=O)NO 147363135 ZUGDLWADDMNEDO-UHFFFAOYSA-N 396.538 3.261 0 1 GGAF COC(=O)C1=CO[C@H](C)[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@@H]12 149525254 KXEMQEGRZWUKJS-HQNKDMIGSA-N 382.460 3.187 0 1 GGAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](NC)CC2 140439510 CGXVLZCHCUSGSF-YADHBBJMSA-N 386.561 3.377 0 1 GGAF O=C(c1nc2ccccc2[nH]1)N1CC[C@@H](Oc2ncccc2C2=CCOCC2)C1 96168917 COWMUSACWJSPJW-MRXNPFEDSA-N 390.443 3.055 0 1 GGAF CC(=O)Oc1ccc2c(c1)O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)CC2=O 238739919 OBIJHSXJFFXBNQ-IBGZPJMESA-N 398.367 3.169 0 1 GGAF CCCc1nn(C)c2c(O)nc(/C=C/c3cc(OC)c(OC)c(OC)c3)nc12 299862184 MPKJBMJBLINWTG-CMDGGOBGSA-N 384.436 3.218 0 1 GGAF COc1ccc(Cn2c(C(=O)N3CCC(C(N)=O)CC3)cc3sccc32)cc1 653811145 XAGMOFRQKYOAMF-UHFFFAOYSA-N 397.500 3.097 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586904455 UHKXOOJNFFGVMX-APWZRJJASA-N 385.489 3.162 0 1 GGAF Cc1cc(=NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]o1 587742636 LGKGAWKPDZHRNT-HUTHGQBESA-N 396.260 3.085 0 1 GGAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 587168491 YDCCWQSPTGBHBE-KRWDZBQOSA-N 392.398 3.047 0 1 GGAF CC(C)C[C@]1(c2ncnn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578978 CFJXTXKJCUCREQ-UWJYYQICSA-N 379.416 3.424 0 1 GGAF O=S(=O)(c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)nc1)N1CCCC1 587875212 HVSSQPDZLKWPQA-UHFFFAOYSA-N 386.408 2.964 0 1 GGAF O=C(O)Cc1ccc(Cc2nc3ccc(I)cc3[nH]2)cc1 587962733 WUNRKHJNSDSZAE-UHFFFAOYSA-N 392.196 3.385 0 1 GGAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CC(C(=O)OCC)C[C@H](C1)N2 587480804 GRYHMWMROLAMJV-JPUUYBNSSA-N 387.476 3.142 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1c(Br)cnc4nccnc14)[C@@H](C2)C3=O 587417757 PVWMVUAKRITPBN-DYZYQPBXSA-N 398.216 3.285 0 1 GGAF CNC(=O)COC1=CCCC(Nc2ncc(F)c(Nc3ccc(C)c(O)c3)n2)=C1 1772589796 UQRKVRJWTOUWTA-UHFFFAOYSA-N 399.426 3.109 0 1 GGAF CCOc1cc(C(=O)N[C@H](CO)c2c(F)cccc2F)ccc1-c1cn[nH]c1 1772581226 QNIZYMHQGXFAMH-QGZVFWFLSA-N 387.386 3.217 0 1 GGAF O=C(C[C@H](C(=O)NC1CCCCC1)N1CCOCC1)c1cccc2c1CCCC2 169333853 NFJPCELXYIPHHG-JOCHJYFZSA-N 398.547 3.288 0 1 GGAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N[C@@H]1CC(C)(C)N([O])C1(C)C)O2 205778432 OQGSSYOZSANNFX-OPAMFIHVSA-N 389.516 3.494 0 1 GGAF COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1[C@@H](N(C)C)CC2 1598896 GJTQQICMBRTGJT-INIZCTEOSA-N 385.460 3.297 0 1 GGAF O=S1(=O)Cc2ccc3c4c2-c2c(ccc5ccc(c-4c25)CS(=O)(=O)C3)C1 1654067 DDRZJALXEVUSMM-UHFFFAOYSA-N 382.462 3.344 0 1 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N(C)C 4296885 VYYUOPAQKDLUCL-CTNGQTDRSA-N 398.459 3.283 0 1 GGAF CC(=O)O[C@H]1[C@H](OC(=O)C=C(C)C)c2cc3ccc(=O)oc3cc2OC1(C)C 13459338 NTNWNWWOOBBSQA-UXHICEINSA-N 386.400 3.446 0 1 GGAF biogenic,in-vitro O=C(O)Cc1ccc2c(c1)C[C@H](CCNS(=O)(=O)c1ccc(Cl)cc1)C2 27407428 ZMEQRAMMTKMWHI-CQSZACIVSA-N 393.892 3.051 0 1 GGAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1OC(=O)c1ccccc1)N2Cc1ccccc1 28106299 XYKATAPFAYNVFX-PLACYPQZSA-N 379.456 3.438 0 1 GGAF O=C1OCC2=C1[C@@H](c1ccc3c(c1)OC(F)(F)O3)c1cc3c(cc1N2)OCO3 40940549 QSPRTWJOHOJNPK-INIZCTEOSA-N 387.294 3.105 0 1 GGAF CCOc1ccc(OCCCN2CCN(c3ccc(Cl)nn3)CC2)cc1 66075394 OJMWEAGCZQTLIX-UHFFFAOYSA-N 376.888 3.120 0 1 GGAF CC[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O1 83923596 VLXJANUFVJNWKB-VUERMHADSA-N 382.497 3.401 0 1 GGAF in-vitro C[C@H]1CN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)C[C@@H](C)O1 95577271 GGCCHWPSILXJPI-TXEJJXNPSA-N 376.844 3.018 0 1 GGAF O=C(Nc1nccs1)[C@H](CC1CCCCC1)n1c(=O)[nH]c2ccccc2c1=O 95602786 ZTNLFYSEFQEHRT-INIZCTEOSA-N 398.488 3.297 0 1 GGAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](NC)CC2 140439041 CGXVLZCHCUSGSF-FCHUYYIVSA-N 386.561 3.377 0 1 GGAF COc1ccc([C@H](NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c2ccccc2)cc1 169293718 VXINVOKFVSDVTO-GZSKETOLSA-N 377.440 3.424 0 1 GGAF COc1ccc([C@]23OC[C@@]24[C@H]2[C@@H](OC[C@H]24)c2cc(OC)c(OC)cc23)cc1OC 169301370 QNMXTGTWSBDJKC-NOGCDZMRSA-N 396.439 3.312 0 1 GGAF Cc1cc2ccccc2n1CCNC(=O)c1ccc(N2CCOCC2)c(F)c1 169351799 GJXNEBMKDVUWOO-UHFFFAOYSA-N 381.451 3.355 0 1 GGAF Cc1nc(-c2cnn(C)c2-c2ccc(Cl)cc2)c2c(N3CCC3)ncnn12 169697306 ALDTXLRYDJMPOF-UHFFFAOYSA-N 379.855 3.364 0 1 GGAF CC(C)(C)[S@](=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C=O)cc1 299858463 SAEKEXFKKPKBGG-DEOSSOPVSA-N 380.491 3.174 0 1 GGAF Cc1nc2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc2cc1Br 586924944 CXJQIHQLNNNKTN-BQYQJAHWSA-N 378.251 3.473 0 1 GGAF CCOc1cc(/C=C\c2nc3c[nH]c(=N)[nH]c-3n2)cc(Br)c1OC 586976815 CAIQUDXJHNLMQG-PLNGDYQASA-N 390.241 3.057 0 1 GGAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587154622 GBGGMSZCZHGRQR-MRXNPFEDSA-N 377.441 3.482 0 1 GGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Br)c(C)nc2[nH]1 587230590 ITSAZNWHBQBBAG-NEPJUHHUSA-N 395.301 3.065 0 1 GGAF COC(=O)CC[C@H](N)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587258335 HLVGIXUYQWSGQW-QMMMGPOBSA-N 380.164 3.297 0 1 GGAF O=C(c1cnn(-c2ccccc2)c1)c1c(CO)oc2cc(Br)cnc12 587276341 MRTFHUYKPUPXKT-UHFFFAOYSA-N 398.216 3.499 0 1 GGAF CCOC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587399027 IBIYEJBSJZVUKD-JOCHJYFZSA-N 399.443 3.408 0 1 GGAF CC(=O)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569300 GAYYMWMYBWMGND-NZQKXSOJSA-N 389.407 3.385 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(F)ccc12 587737083 YDUKOPIJFXJEPP-CQLKUDPESA-N 379.204 3.457 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(F)cccc12 587739800 VWPRPKGAXQIOAU-CQLKUDPESA-N 379.204 3.457 0 1 GGAF COC(=O)C[C@@]1(c2ccncc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587778218 LQNWFGHYUSLLCW-VOJFVSQTSA-N 393.256 3.324 0 1 GGAF CCOC(=O)[C@@]1(c2ccc[nH]2)N[C@H](C)Cc2ccc(F)c(Br)c21 587791617 MFCVOYYVILQKMI-QGHHPUGFSA-N 381.245 3.257 0 1 GGAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587930936 ICHVCZLFFHRQRQ-YWZLYKJASA-N 385.489 3.267 0 1 GGAF COc1ccc(-c2cc(O)n(-c3c[nH]cc(Br)c3=O)c2O)cc1 587941386 OMMSJYNBTCGYTD-UHFFFAOYSA-N 377.194 3.015 0 1 GGAF CCOc1cc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)ccc1OC(=O)C1CC1 962903392 AKMZTHIMJCGPCM-PXNSSMCTSA-N 399.418 3.228 0 1 GGAF CN1C(=O)C[C@H]2CN[C@@H](c3cc(Br)cnc3F)c3cccc1c32 963025340 MGLIQVHQJKMYRB-XXFAHNHDSA-N 376.229 3.126 0 1 GGAF Cc1cc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CC4)CC3)c2)ccn1 1772649232 CXEYHRHABLCBJF-UHFFFAOYSA-N 392.503 3.133 0 1 GGAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@H]2CCCOC2)cc1F 1772653794 ZKWDXPWWNHFPCB-VIFPVBQESA-N 391.877 3.327 0 1 GGAF c1cc(N2CCOCC2)nc(Nc2ccc(OCCCN3CCCCC3)cc2)n1 1857582915 OMFXSIMTAYMSLG-UHFFFAOYSA-N 397.523 3.312 0 1 GGAF O=C(CN1CCOCC1)Nc1cncc(-c2cc(-c3cccnc3)cs2)c1 1857652630 KWZWSVSQMJBFFI-UHFFFAOYSA-N 380.473 3.143 0 1 GGAF CC[C@H](CC[C@H](O)C[C@H](CCc1ccc(O)c(OC)c1)OC(C)=O)CNC 2356511147 ZKZBDQUWMKYYHZ-NEWSRXKRSA-N 381.513 3.042 0 1 GGAF CC(=O)O[C@@H]1CC[C@](C)(O)C=C[C@](O)(C(C)C)CCC2=CCC[C@@]1(C)OC2=O 2356793941 KUOWRTRXMGVVIW-ZDFPQIBNSA-N 394.508 3.209 0 1 GGAF Cc1nn(CC(=O)Nc2cccc(Cl)c2)c(=O)c2cc(-c3ccccc3)nn12 9727449 SGBQYMULKJLXFS-UHFFFAOYSA-N 393.834 3.159 0 3 GGAF COc1ccc([C@H]2SCC(=O)N2NC(=O)[C@H](C)Oc2ccccc2C)cc1 1863314 HUCRQKDYSDEQSW-VBKZILBWSA-N 386.473 3.076 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCO 4152167 NNMHVBFOQWMXHI-RBBKRZOGSA-N 396.487 3.409 0 1 GGAF CC(C)(C)CC(=O)N[C@@H]1[C@H](c2cccs2)N(C(=O)C2CCC2)CC[C@@]1(C)O 2356298263 GQWGXRCXLHMSJV-WAOWUJCRSA-N 392.565 3.494 0 1 GGAF COc1cccc2nc(C[C@H]3CN(C(=O)CC(C)C)CC[C@@H]3CC(=O)O)[nH]c12 2356302691 PHEFNBGABJMHOG-CABCVRRESA-N 387.480 3.100 0 1 GGAF O=C(Nc1cc(Cl)ccc1O[C@@H]1CC[C@H](CO)C1)c1cnn2cccnc12 113650442 VVZAHEJDBWZSBS-GXTWGEPZSA-N 386.839 3.175 0 1 GGAF COc1ccc2nc(C[C@@H]3CN(C(=O)C(C)(C)C)CC[C@H]3CC(=O)O)[nH]c2c1 2356667932 WKJOEEXKGBFLPT-UONOGXRCSA-N 387.480 3.100 0 1 GGAF CC(=O)O[C@@H]1CCC(C)=CCC[C@](C)(O)[C@H]2C[C@@H](CC[C@]1(C)O)[C@@H](C)C(=O)O2 2356798516 SPTRBEJSAGOVBE-MEQSRVSCSA-N 396.524 3.288 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC[C@H](O)C4CCCCC4)ncc23)ccn1 219762731 USLIDDGMHXQDCD-SFHVURJKSA-N 394.479 3.391 0 1 GGAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OC[C@@H]2CCCN2C)C(C)C)co1 82070337 NZXSVKWJRXBLKP-QFBILLFUSA-N 399.491 3.042 0 1 GGAF C/C=C(\C)C(=O)Oc1c(-c2ccc(O)c(OC)c2)oc2cc(O)cc(O)c2c1=O 238757009 PATBKAIQPOQSRN-ONNFQVAWSA-N 398.367 3.457 0 1 GGAF COc1ccc([C@H]2C[C@@H](O)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 96908500 VZTGDNRRQPPAIT-ZIAGYGMSSA-N 376.405 3.287 0 1 GGAF N[C@H]1CC[C@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cn[nH]c4)cc23)CC1 473194907 VWNSIQYHGDMMSL-QAQDUYKDSA-N 375.476 3.321 0 1 GGAF Cc1ccc(S(=O)(=O)N2CCN(c3noc4cc(Cl)ccc34)CC2)cc1 299825814 NNAHCPGHEIIAQO-UHFFFAOYSA-N 391.880 3.301 0 1 GGAF CCS(=O)(=O)c1ccccc1-c1nc2cc(Br)c(C)nc2[nH]1 586922443 MSMALDNWBDFDBZ-UHFFFAOYSA-N 380.267 3.489 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cccc(F)c3NC)[nH]c2c1 587135776 ODUFZDLHKLWYBM-UHFFFAOYSA-N 376.457 3.441 0 1 GGAF Cc1c(Cl)ccc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c12 587203039 MSPQSENBLKVCHL-OAHLLOKOSA-N 387.823 3.447 0 1 GGAF C[C@@H](O)c1ncc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)s1 587022693 VDFCIISWHJJRDW-ZCFIWIBFSA-N 377.369 3.033 0 1 GGAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)C(C)(C)C 587202978 CXFACUNTRGQNJS-OAHLLOKOSA-N 385.472 3.021 0 1 GGAF CCn1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)n1 587661122 MURJYDDZJQGIBB-UHFFFAOYSA-N 376.391 3.416 0 1 GGAF C=CC(=O)Nc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587243660 IKYJYLCTAMIKHA-UHFFFAOYSA-N 386.415 3.414 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C(=O)O)n2)N1 587772510 OCYAEDWNHSIXEV-XLFHBGCDSA-N 379.229 3.479 0 1 GGAF COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(/C=C/C=C\C(=O)O)nc2c1 587968346 MYVPOEBCHRLHDD-HXGSSHHBSA-N 399.428 3.026 0 1 GGAF O=C(c1ccco1)N1CCN(c2nncc(-c3ccc4ccccc4c3)n2)CC1 12836330 KAZMPBFCXHCHLJ-UHFFFAOYSA-N 385.427 3.247 0 1 GGAF C[C@H]1SCN(CCCCN2CCN(c3nsc4ccccc34)CC2)C1=O 13759375 QMGPSYFJSYOZRC-OAHLLOKOSA-N 390.578 3.120 0 1 GGAF COC(=O)C1=C(C)N2CCCO[C@@]2(C)[C@H](C(=O)OC)[C@H]1c1cccc(Cl)c1 17220883 AEIJDYWCBYHIFL-ZWOKBUDYSA-N 393.867 3.112 0 1 GGAF O=C1N=C(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)O[C@H]1c1ccccc1 169346495 SJAPLNHDELOMJB-KRWDZBQOSA-N 398.850 3.144 0 1 GGAF COc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H]3C[C@@H]4C=C[C@@H]3C4)C2=O)cc1 169364857 WLDNKAUYZYEEKC-GXFHLUSYSA-N 398.484 3.060 0 1 GGAF O=C(Nc1ccc(C(=O)N2CC[C@@]23CCCNC3)cc1)N1Cc2ccccc2C1 166624743 MWEBVWCTPQEJSF-HSZRJFAPSA-N 390.487 3.202 0 1 GGAF CC1=C(C(=O)OC(C(F)(F)F)C(F)(F)F)[C@@H](c2cccs2)NC(=O)N1 1857544401 LDTPFQBUEHKUQL-MRVPVSSYSA-N 388.289 3.412 0 1 GGAF O=C(O)c1cnn(-c2ccc(F)cc2)c1NC(=O)c1cc2ccccc2oc1=O 1857765975 YMFUVDCJDRVHSL-UHFFFAOYSA-N 393.330 3.068 0 1 GGAF CC(=O)O[C@@H]1C[C@H](C)[C@](O)(CCC2=CC(=O)O[C@@H]2O)[C@]2(C)CCCC(C)(C)[C@@H]12 2356417374 ZHDFOHJIRGVVGC-VPLFLRPQSA-N 394.508 3.103 0 1 GGAF CC[C@@H]1[C@H](c2ccccc2O)c2cc3c(cc2O[C@H]1N1CCOCC1)OCO3 105520982 MPGWMGUALYVDAX-KHIBUBOWSA-N 383.444 3.330 0 1 GGAF CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCOCC4)cc3C2)c(O)cc1O 58569218 IBDJXXHTJPHOJQ-UHFFFAOYSA-N 396.487 3.209 0 1 GGAF CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1cccc(OC)c1 29130757 XQRFKDJVDZKQDO-UHFFFAOYSA-N 397.519 3.373 0 1 GGAF CC1(C)Oc2ccc3c(c2[C@H](NC(=O)c2ccc(F)cc2)[C@H]1O)CCCC3=O 29339911 HTOHFGYFPQADFZ-VQTJNVASSA-N 383.419 3.348 0 1 GGAF CCNC[C@H]1CC[C@@H](c2c(F)cc3c(=O)c(C(=O)O)cn(CC)c3c2F)C1 29412010 ZNCAVKIBLSJIPL-NWDGAFQWSA-N 378.419 3.491 0 1 GGAF Cc1cnc2nc(SCc3cccc(F)c3F)nc(N[C@H](C)CO)c2n1 29128597 SILWDMNSPADQHV-SNVBAGLBSA-N 377.420 3.091 0 1 GGAF CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356565326 VZSUPVZEJNDVGF-LRXSHDSTSA-N 392.536 3.109 0 1 GGAF CC(=O)O[C@H]1[C@@H]2[C@H]3C=C(C)[C@@H](O)CC[C@@]4(C)OC[C@@H](C)[C@@H](C[C@H]1C)[C@H]2[C@@H]4O3 2356635973 QQUBMUOPSYDXCO-LQROVUJRSA-N 378.509 3.100 0 1 GGAF CC(=O)C[C@]1(O)CC2(Oc3cccc4cccc(c34)O2)c2cccc(O)c2C1=O 2356721366 BZOJTNLXPLGYIH-QFIPXVFZSA-N 390.391 3.466 0 1 GGAF Cc1nn(Cc2ccncc2)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12 36242934 HGHDSZILHWMEEH-UHFFFAOYSA-N 382.427 3.166 0 1 GGAF CNC[C@@H](O)Cc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 36400412 OBYIXHCAYXUAKA-XDHFQJGLSA-N 390.955 3.409 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc(F)c1 72139565 HBAUUXCELAVUFZ-IBGZPJMESA-N 389.448 3.369 0 3 GGAF OCCCNc1nccc([C@@H]2CCCN(CCc3c[nH]c4ccccc34)C2)n1 40914017 ICPZFNKFNRZFTD-GOSISDBHSA-N 379.508 3.174 0 1 GGAF in-vitro NCCC(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 82157547 DRURBIDZUOAXJB-NRFANRHFSA-N 375.472 3.245 0 1 GGAF CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1C(C)C 96272672 GNFVJCMQLYMYRH-MRXNPFEDSA-N 376.464 3.299 0 1 GGAF O=c1[nH]c(Cc2ccccc2-c2cccnc2)nc2c1cnn2C1CCOCC1 140456428 PCDQKDXDRWVSAY-UHFFFAOYSA-N 387.443 3.124 0 1 GGAF Cc1cc([C@@H](C)N(C)c2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1 473132715 UYFCNCITTLQXEV-QGZVFWFLSA-N 378.476 3.037 0 1 GGAF CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccccc4F)ccc1c23 653731250 RITCINXEOONILY-UHFFFAOYSA-N 384.432 3.438 0 1 GGAF OCCc1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586970059 UCPAUZXKQNQVRN-UHFFFAOYSA-N 396.428 3.169 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(F)cc12 587568631 HZIYZWMJHIZCTR-DYESRHJHSA-N 377.327 3.341 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc3c2NCCO3)N1 587793761 KXHIQHQYEPBNSE-XYZCENFISA-N 378.245 3.411 0 1 GGAF COC(=O)c1cc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2cc1OC 587040593 IFROGEKBPLFAEN-FUHWJXTLSA-N 383.473 3.304 0 1 GGAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C(=O)N(C)C)cc4[nH]1)(C3)C2 587949956 FTSCYSWDKKIPMW-BXBLUCELSA-N 381.476 3.418 0 1 GGAF Cc1cc(Br)ccc1OCc1nc2ccc(-n3cnnn3)cc2[nH]1 586982021 YNLMGOREHJBKFO-UHFFFAOYSA-N 385.225 3.189 0 1 GGAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c(S)nc(S)nc2[nH]1 587042017 GSFAZXXKJZQOIE-MRVPVSSYSA-N 395.922 3.239 0 1 GGAF O=C1[C@@H]2[C@H]3C[C@@H]4[C@@H]2[C@@]2(Oc5ccccc5C(=O)[C@@H]2C(=O)c2ccco2)[C@H]2[C@H]1[C@H]3[C@@H]42 587603385 NFYLWRKQZDBMMC-DZEXGMPQSA-N 386.403 3.049 0 1 GGAF Oc1cccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 587187622 JPHMVPJYIVDCDT-UHFFFAOYSA-N 376.157 3.188 0 1 GGAF CCOC(=O)CCC[C@@]1(c2ccccc2OC(C)=O)NCCc2ccc(O)cc21 963343385 UZGZNCSRUAXZNB-QHCPKHFHSA-N 397.471 3.440 0 1 GGAF Cc1cc2c(cc1O)[C@](c1ccccc1CN1CCC1)(C1CC1)N[C@H](C(=O)O)C2 963547422 BLEXMGSGEJESLN-XUZZJYLKSA-N 392.499 3.159 0 1 GGAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1ccccc1NS(C)(=O)=O 963060734 WKDITLDJQRLDKL-NRFANRHFSA-N 397.500 3.024 0 1 GGAF Cc1cnc2c(-c3ccc(F)cc3)c(-c3ccc(S(N)(=O)=O)cc3)nn2c1C 13861627 SQFNOVSXMDBNIU-UHFFFAOYSA-N 396.447 3.467 0 1 GGAF Cn1cc(C(=O)c2cncc(NC(=O)CCc3ccccc3)c2)c2cncnc21 169707876 IKWVRGUKSVTWLL-UHFFFAOYSA-N 385.427 3.166 0 1 GGAF COc1cc2oc(=O)cc(-c3ccccc3)c2cc1OCCCN1CCNCC1 1857628701 LLTIQENFRLIOAI-UHFFFAOYSA-N 394.471 3.143 0 1 GGAF c1ccc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)nc1 28903472 YSPPECQFRDJSGQ-ISKFKSNPSA-N 393.531 3.465 0 1 GGAF Nc1ccccc1NC(=O)c1ccc(Cn2cnc3ccsc3c2=O)cc1 28826550 SFJIWDMUUXXASN-UHFFFAOYSA-N 376.441 3.341 0 1 GGAF CCn1cc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cn1 114773435 XHBUJGSFUBHTTJ-UHFFFAOYSA-N 390.447 3.461 0 1 GGAF CC[C@]12CCCN3CC[C@]4(c5ccccc5N(C(C)=O)[C@@H]4[C@@H](C(=O)OC)C1)[C@H]32 504550846 DHHMVJWGDXKKSV-JMXIGGHKSA-N 382.504 3.117 0 1 GGAF biogenic CN(CCN)C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72177685 WAUUCTJKGIPDOX-GFCCVEGCSA-N 381.320 3.196 0 1 GGAF CC(C)Oc1ccc([C@](O)(c2cccnc2)c2cccc(C(N)=O)c2)cc1F 72184428 INJAZKWXFZBJSM-QFIPXVFZSA-N 380.419 3.391 0 1 GGAF Cc1ccccc1N1CCN(CCCCOc2ccc3c(n2)NC(=O)CC3)CC1 71319072 CRHLQSKLPOQEER-UHFFFAOYSA-N 394.519 3.256 0 1 GGAF Cc1cccnc1N1C[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)N(C)C1=O 95565889 YUWDRMZOHHPGHA-HNNXBMFYSA-N 393.274 3.254 0 1 GGAF CN1CCN(c2ccc3nc(Nc4ccc(C(F)(F)F)nc4)[nH]c3c2)CC1 299829997 NJWOCOYDRGNNTA-UHFFFAOYSA-N 376.386 3.472 0 1 GGAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2nc(Br)c[nH]c-2n1 587111708 AOBFNIYAUFRAHL-VIFPVBQESA-N 386.175 3.328 0 1 GGAF Oc1cccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 587118899 RKLBDTJEDPZCSZ-UHFFFAOYSA-N 375.148 3.489 0 1 GGAF CC1=C(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CN2NC=NC2=N1 586990620 ZTTHMJBSUMEKHN-UHFFFAOYSA-N 381.395 3.101 0 1 GGAF CCOC(=O)C[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526907 UZLCTSNXNQTJJX-HTAPYJJXSA-N 388.460 3.422 0 1 GGAF CSc1ncc([C@]2(C)c3cccc(Br)c3CCN2C)c(N)n1 963288489 CARSHQVXPJNYJA-INIZCTEOSA-N 379.327 3.295 0 1 GGAF C[C@]1(c2ccc(NC(=O)C(F)(F)F)cc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962919667 KJESJJHFGXPQNA-KBXCAEBGSA-N 396.340 3.189 0 1 GGAF CC(C)N1C(=O)[C@@]2(N[C@H]1N)c1ccccc1CC21CCc2ccccc2CC1 1772641198 BTDYPINICWJPMW-VWNXMTODSA-N 375.516 3.086 0 1 GGAF COc1n[nH]c2cc(NC(=O)N[C@H](c3ccc(F)cc3)C(C)(C)OC)ncc12 1772621024 NWZSEQGEPQNCQP-MRXNPFEDSA-N 387.415 3.393 0 1 GGAF COc1ccccc1-c1ccc(C[C@H](NC(=O)Cc2ccncc2)C(=O)O)cc1 13445261 OMKIQYRGIJVRRZ-FQEVSTJZSA-N 390.439 3.112 0 1 GGAF NS(=O)(=O)c1cc(NC(=O)Nn2ccc3ccccc32)c(Cl)cc1Cl 169351754 PGWLRTGRYZCONI-UHFFFAOYSA-N 399.259 3.371 0 1 GGAF O=C(CN1CCC[C@H](Cc2ccccc2)C1)N[C@H]1CCN(Cc2ccccc2)C1 1857543150 QYWDZTYCVJVNMJ-RPWUZVMVSA-N 391.559 3.332 0 1 GGAF Cc1csc(NC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1 1857647861 BSIXIFUAKHHHPI-UHFFFAOYSA-N 375.413 3.273 0 1 GGAF COc1nc(Cl)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12 601988 ZEICTPGVQAZONR-UHFFFAOYSA-N 392.868 3.159 0 1 GGAF C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 4873711 XKGCWMLEFHEHGA-XTZCOPOCSA-N 378.457 3.362 0 1 GGAF O=C(CSc1nnc2n1CCCN2C(=O)c1ccccc1)c1cccs1 7044881 AAIWUCZEVAZKCK-UHFFFAOYSA-N 384.486 3.365 0 1 GGAF COc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)c4cccnc4)C[C@@H]2N3)cc1 100106760 BIGJZAOXTLQMID-SGRGSNTQSA-N 385.467 3.337 0 1 GGAF CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Sc1ccccc1)C(=O)O 27707914 FEHORUPRKICMFK-GDBMZVCRSA-N 396.509 3.245 0 1 GGAF COc1ccc2c(n1)NC(=O)CC(=O)N2C1CCN([C@@H]2/C=C/CCCCC2)CC1 114073118 YWAUKNYPCVZKBR-BIENSFFJSA-N 398.507 3.119 0 1 GGAF OCCN1CCN(CCCN2c3ccccc3Sc3sccc32)CC1 26964416 URDHEEFXQJAIDH-UHFFFAOYSA-N 375.563 3.351 0 1 GGAF OCCNC(=S)Nc1ccc(-c2nnc(SCc3ccccc3)o2)cc1 73169781 PBCBXQLWZYMXBP-UHFFFAOYSA-N 386.502 3.308 0 1 GGAF COC(=O)CC[C@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@]2(C)C(C(=O)OC)=CCC[C@H]21 2356769349 BRPLPGDXTHMNKH-TXZHMQSUSA-N 380.481 3.433 0 1 GGAF COc1ccc(NN2C(=O)O[C@](C)(c3ccc(Br)nc3)C2=O)cc1 72108207 GYHJUNIAGJZKOL-MRXNPFEDSA-N 392.209 3.074 0 1 GGAF COC(=O)C1=C2C=COC(C)=C2[C@@](C)(O)C1=CC(=O)[C@H](C)CCCCCCO 14696195 BJRVUWKADRHSIV-PEBXRYMYSA-N 390.476 3.113 0 1 GGAF biogenic CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 95873944 ZFJSDRDQKLPFMQ-VXNXHJTFSA-N 378.516 3.433 0 1 GGAF COc1ccc(-c2cc(=O)c3c(OC)cc(OC(C)=O)cc3o2)cc1OC(C)=O 238781057 ZGSHRRFZEZGUFJ-UHFFFAOYSA-N 398.367 3.328 0 1 GGAF CC[C@@H](NC(=O)c1cc(C(=O)Nc2cnoc2)c2n1CCOC2)c1ccccc1 146105756 LASXPCGXIURIJE-QGZVFWFLSA-N 394.431 3.140 0 1 GGAF CC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccc(C)c3)cc1)[C@@H]2CO 95874585 DMSQNCBXUTXOTC-SGNDLWITSA-N 378.516 3.433 0 1 GGAF COc1cccc(NC(=O)N2[C@@H](CO)[C@@H](c3ccccc3)[C@@H]2CNC(C)C)c1 95895195 RLOBSZGUXAQKLP-ACRUOGEOSA-N 383.492 3.054 0 1 GGAF NCCCNc1cccc(-c2cc(N[C@H]3CC[C@H](O)CC3)ncc2Cl)n1 261093757 DYUCGAGOCTWSRU-HDJSIYSDSA-N 375.904 3.273 0 1 GGAF Cc1c(Br)ccc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c12 586929653 GSIZPZYHCSIVAN-UHFFFAOYSA-N 394.294 3.066 0 1 GGAF COc1cc2c3c(c1)OC1(CCC(O)(c4ccc5c(c4)OCO5)CC1)[C@@H](C2)C3=O 587453253 NKJHHWDPWIPRMJ-BPURVQTLSA-N 394.423 3.372 0 1 GGAF COC(=O)c1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615745 XZXXKIYZJWIEMY-PBHICJAKSA-N 383.381 3.338 0 1 GGAF O=C(O)C[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609713 PFDDYFZCDCVCSI-UGKGYDQZSA-N 392.363 3.430 0 1 GGAF Oc1nc(S)nc2[nH]c(COc3ccc(Cl)cc3Br)nc12 586975334 DWWQRAFAFYCIDP-UHFFFAOYSA-N 387.646 3.342 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)CN2CCN(C)CC2)N1 587764969 HUZPHQRPYZRPBT-UGSOOPFHSA-N 398.364 3.437 0 1 GGAF COc1ccc(C(C)(C)NC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)cc1OC 12056423 BOVISZORENCHOV-OAHLLOKOSA-N 388.508 3.236 0 3 GGAF CCO[C@@H]1OC(C(=O)O)=C[C@H](c2ccc(Br)cc2)[C@H]1CCCO 13634718 ICEKADMOAKWFMP-CKEIUWERSA-N 385.254 3.283 0 3 GGAF O=C(O)[C@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1cccc(Cl)c1 13807313 ILCBREXWAFCKSC-ZBFHGGJFSA-N 390.871 3.138 0 1 GGAF COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)o2)cc1 15944536 XCLOPRCEFNSYGO-GASCZTMLSA-N 391.489 3.380 0 3 GGAF CCCC(=O)O[C@H](C(=O)NCc1ccccc1)[C@H]1O[C@@H]1c1ccccc1[N+](=O)[O-] 205671623 AVVRBNVWLMXNKM-AABGKKOBSA-N 398.415 3.063 0 1 GGAF Fc1ccc(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c(F)c1 1857572724 YQURRFMFHGHBTQ-UHFFFAOYSA-N 396.445 3.200 0 1 GGAF CS(=O)(=O)Nc1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1 34840809 SMTDHTZNDOVANM-UHFFFAOYSA-N 395.448 3.212 0 1 GGAF CCOC(=O)c1cn(C2CC2)c2c(F)c(NCCCN(C)C)c(F)cc2c1=O 2050031 MEEURINVDSNERE-UHFFFAOYSA-N 393.434 3.155 0 3 GGAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NC[C@H](O)CC)cc1 4049053 LWSSCWNPGIHKTG-QFUCXCTJSA-N 382.460 3.064 0 1 GGAF Cn1cc(CN2C[C@H](F)[C@@H](OCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cn1 2356299473 IDAFEOXLJPBULO-BBRMVZONSA-N 397.376 3.054 0 1 GGAF COc1ccc(CCO[C@@H]2CCCC[C@@H]2N2CC[C@H](OC(C)=O)C2)cc1OC 115041222 RUPYYTQCIFYKNJ-SLFFLAALSA-N 391.508 3.212 0 1 GGAF O=C(O)CCCC(=O)N[C@@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)O 26572889 BXOGLYYMYKLFJB-UXHICEINSA-N 397.471 3.302 0 1 GGAF COC(=O)[C@H](O)[C@@H](C(=O)Cc1ccc(O)c(CC=C(C)C)c1)c1ccc(O)cc1 2356797599 ODOBJYBFLKOXFR-FGZHOGPDSA-N 398.455 3.036 0 1 GGAF COc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)c3occc23)c(C)c1 61906178 VUQVVDWALMRGLJ-UHFFFAOYSA-N 394.471 3.479 0 3 GGAF CC[C@]12CCCN3CC[C@]4(c5ccccc5N(C(C)=O)[C@@H]4[C@H](C(=O)OC)C1)[C@H]32 504550845 DHHMVJWGDXKKSV-IOYVKDBASA-N 382.504 3.117 0 1 GGAF biogenic CCN(CC)CC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccc(N)c1 35033989 JWHNJAKTDNWPCA-HSZRJFAPSA-N 397.519 3.102 0 1 GGAF CCCS(=O)(=O)N1CC(c2ccc3c(c2)[C@H](Cc2ccccc2)[C@H](N)CC3)C1 88261134 IANRWCRHABAVHX-XZOQPEGZSA-N 398.572 3.425 0 1 GGAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCOCC2)n2c1CCCC2)c1ccccc1 146148591 OZFGIYOCSICXKB-LJQANCHMSA-N 395.503 3.178 0 1 GGAF Cc1cnc(C(=O)Nc2cccc([C@@]3(C(F)(F)F)CCSC(N)=N3)c2)cn1 147105961 WZPFEWICESTLJD-MRXNPFEDSA-N 395.410 3.247 0 1 GGAF OC[C@@H]1[C@H](c2ccccc2)C2(CN(CCC(F)(F)F)C2)N1Cc1nccs1 95668632 OLVVJLCGBIHVOK-WBVHZDCISA-N 397.466 3.110 0 1 GGAF CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccccc2Cl)CC1 149327917 OYUKTDHJKYJEGC-UHFFFAOYSA-N 395.887 3.042 0 3 GGAF CN1C(=O)CC[C@H]1COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 143444145 SHASPRRXWFWZEL-HXPMCKFVSA-N 377.362 3.465 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CC)(C1(C(=O)OC)CCOCC1)CC2=O 587484674 HKACQCREBNCIBF-OAQYLSRUSA-N 376.449 3.429 0 1 GGAF Oc1nc(S)nc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc12 586997399 BVNOJYMGJVLNEF-UPHRSURJSA-N 393.222 3.009 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CN(C)N[C@H]2C(F)(F)F)N1 587723281 WKHUHVLIXMEVLC-YTUKDDMISA-N 396.226 3.161 0 1 GGAF CC(C)[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)N(C)C 587198739 MKFJRZQCNZLNBE-JTQLQIEISA-N 378.645 3.475 0 1 GGAF Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc2ncnn12 587798790 WDKWGOULTRJNNY-XYZCENFISA-N 390.260 3.132 0 1 GGAF CC1(C)OC(=O)C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 586906380 LXGRVVGOFHTONC-YFKPBYRVSA-N 389.047 3.292 0 1 GGAF CCOC(=O)C[C@]1(C(F)(F)C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 587381096 FOPOEAWPHFKHMM-AWEZNQCLSA-N 381.297 3.432 0 1 GGAF CCN(CC)CCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587397882 CGWDQMLBLUNWJO-HSZRJFAPSA-N 393.487 3.126 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CS(=O)(=O)c1ccccc12 587609827 AIHHQBNURPDJDW-GHTZIAJQSA-N 394.404 3.037 0 1 GGAF CCOC(=O)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1NC(=O)OC(C)(C)C 587651011 YSOQMYIXPGCKIB-UHFFFAOYSA-N 396.465 3.024 0 1 GGAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1cn(Cc2cccnc2)nn1 962373413 LTRAVXHWLMXQTI-OAQYLSRUSA-N 390.516 3.269 0 1 GGAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]2(c1ccccn1)[C@@H]1CCNC1 962698766 JUDDECREUXHLGA-YVHKJVDXSA-N 383.536 3.437 0 1 GGAF CC(C)(O)C1CCN(C[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)CC1 1772655876 RGMORPIDMYFGFX-WKILWMFISA-N 396.539 3.362 0 1 GGAF O=C(CCCOc1ccc2ccc(=O)oc2c1)N1CCN(c2ccccc2)CC1 169352274 SYHBCRQRXZTJAB-UHFFFAOYSA-N 392.455 3.301 0 1 GGAF CN(CCCCn1c(O)c2n(c1=O)Cc1ccccc1C2)Cc1ccccc1 169718918 VEMBJNKDMSVCGV-UHFFFAOYSA-N 377.488 3.220 0 1 GGAF Nc1ccc(CNC(=O)c2ccc(NC(=O)N3Cc4cccnc4C3)cc2)cc1 167292158 XYIFGWXPCSZFAV-UHFFFAOYSA-N 387.443 3.142 0 1 GGAF COc1ccc2c(c1)/C(=C/c1[nH]nc3c1Cc1cc(OC)c(OC)cc1-3)C(=O)N2 1857656751 FOEITSWQDMVDDY-DHDCSXOGSA-N 389.411 3.499 0 1 GGAF COc1ccc2c(OCc3nnc4sc(-c5cscn5)nn34)ccnc2c1 1857747116 WFEBIAGFKUILTJ-UHFFFAOYSA-N 396.457 3.445 0 1 GGAF COc1cc2nc(N3CCN(C)CC3)nc(Nc3ccccc3)c2cc1OC 149490055 CQUISSRODUUWHH-UHFFFAOYSA-N 379.464 3.142 0 1 GGAF CCCCCCC1=NOC[C@@]1(C)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 4216407 BYPALXQZBCXAMZ-FOIQADDNSA-N 381.517 3.475 0 1 GGAF COc1ccc(-c2cc(C(=O)c3ccco3)c3c(=O)[nH]c(S)nc3n2)cc1 28650974 GYXRQXHJUQDLPP-UHFFFAOYSA-N 379.397 3.106 0 1 GGAF O=c1c2cn(CCN3CCOCC3)c3ccccc3c-2nn1C1CCCCC1 28962239 QSWXXDOVOXZHMU-UHFFFAOYSA-N 380.492 3.140 0 1 GGAF CC(=O)Nc1ccc(C2=Nn3cc(C(=O)O)nc3Cc3ccc(Cl)cc32)cc1 28523996 DIOFEEGDTIYBIY-UHFFFAOYSA-N 394.818 3.398 0 1 GGAF CC(C)C[C@H]1C(=O)N(NC(=O)NCCc2ccccc2)CN1Cc1ccccc1 64574071 BHHIIKHSBAMBRQ-NRFANRHFSA-N 394.519 3.160 0 1 GGAF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(C)C(=O)CO 40475255 FXBVINCSIJOIGL-ZJSZFXQHSA-N 390.495 3.171 0 1 GGAF C/N=c1\[nH]c2cnc(Nc3cc(OC)cc(C(F)(F)F)c3)cc2n1CCOC 82083387 UBWXTWKEUBURJK-UHFFFAOYSA-N 395.385 3.312 0 1 GGAF C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCN(C(=O)CC(F)(F)F)C1 96270816 SMHDJPTUYOMJEU-GHMZBOCLSA-N 395.385 3.082 0 1 GGAF O=S(=O)(c1cccc(-c2ccc(O)cc2)n1)N1CCC(c2cnco2)CC1 299825589 MTLKAXHJYCSMPM-UHFFFAOYSA-N 385.445 3.011 0 1 GGAF O=c1ccc(-c2nc3cnnc(O)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587058897 SCABOYSBUWNZDO-UHFFFAOYSA-N 388.214 3.242 0 1 GGAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4ncnc(N)c4[nH]3)cc2)c1C 586947511 QABKGSXNOFVXOW-UHFFFAOYSA-N 394.460 3.020 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(OC)c(OC)cc21 587479707 CQHHVJITLJHMES-OAQYLSRUSA-N 383.400 3.175 0 1 GGAF CCn1cc(Cl)c(C(=O)c2c(CO)oc3cc(Br)cnc23)n1 587277068 YETSNFXGHOAZLV-UHFFFAOYSA-N 384.617 3.183 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(Cc2ccccc2)C[C@H]1C(=O)O 587479938 VQJPMSZONWWGFI-FDDCHVKYSA-N 395.455 3.265 0 1 GGAF N=C(N)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587002405 DZKJVTNILPGVOL-SNVBAGLBSA-N 399.248 3.245 0 1 GGAF CN(C)S(=O)(=O)c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1 587160822 FAKCDEATEYYGOZ-UHFFFAOYSA-N 398.257 3.382 0 1 GGAF CCO[C@H](C)c1nc(C)c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)s1 587013850 CPHIKZDGBWQLKH-LLVKDONJSA-N 394.522 3.343 0 1 GGAF COC(=O)c1ccc(NC(=O)C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587432784 NABNKFHZAZVHHT-OPAMFIHVSA-N 395.411 3.017 0 1 GGAF C[C@@H](CC(=O)O)[C@@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962891582 BZVJXJYHJZDEDB-LFBSBKMHSA-N 391.826 3.432 0 1 GGAF COc1cc2cc([C@@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)cnc2cc1OC 962904969 XVLJFKFJEDEAAX-PXNSSMCTSA-N 382.391 3.079 0 1 GGAF COc1ccc([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1N 962647921 VBECNVKQNHDWMJ-DENIHFKCSA-N 377.444 3.014 0 1 GGAF C[C@]1(c2c[nH]c(C(=O)NC[C@@H]3CCCO3)c2)c2c(F)cccc2C[C@@H]2CCCN21 963103751 LLQIIIPQFIQUPT-BSRJHKFKSA-N 397.494 3.347 0 1 GGAF CC(C)C(C/C=C1\C[C@](CO)(COC(=O)c2ccc(O)cc2)OC1=O)C(C)C 13704128 YQMGTUAKPTUCGH-YRNBWCPGSA-N 390.476 3.472 0 1 GGAF CCCc1c(COc2ccc(C(=O)Cc3nnn[nH]3)cc2)ccc(C(C)=O)c1O 13824155 TWMZHNXDSQZNFE-UHFFFAOYSA-N 394.431 3.065 0 1 GGAF C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)CO[C@@H]1F 169335903 HBJCZLYQYZGGRO-DLBZAZTESA-N 380.782 3.025 0 1 GGAF COc1cc(C[C@@H](C)O)ccc1Oc1cc(C[C@@H](C)O)cc(OC)c1OC 1857562602 BMGFPMOVVJSUPC-ZIAGYGMSSA-N 376.449 3.351 0 1 GGAF COc1ccc(C(=O)CCN2CCN(Cc3cccc(C)c3)CC2)cc1OC 1857752729 FQGJQWVJPVAXAB-UHFFFAOYSA-N 382.504 3.403 0 1 GGAF CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCC(C)(C)CO 4051932 MWFJZGSQBDIFLS-TZIWHRDSSA-N 396.487 3.312 0 1 GGAF COc1ccc2c(c1)C(=O)[C@@H](O)[C@H](c1ccc(OC)c(Br)c1)O2 8681954 LSFAWTODWZZGOF-SJORKVTESA-N 379.206 3.144 0 3 GGAF CC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N1CCC(N2CCCCC2)CC1 9268402 RCECNYQBWOYBHA-UHFFFAOYSA-N 391.512 3.249 0 1 GGAF CC(C)CCNC(=O)c1ccc(N2CCC(Oc3cccc(F)c3)CC2)nn1 28655318 IEWHHWAYORZAJV-UHFFFAOYSA-N 386.471 3.439 0 1 GGAF COC(=O)N[C@H](C(=O)N(C)[C@H](CN1CCCC1)c1ccccc1)c1ccccc1 28134418 MJGQBRUMQSZKOW-RTWAWAEBSA-N 395.503 3.379 0 1 GGAF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1C1CC1 27876945 RTEHYCZIRNWKJV-UHFFFAOYSA-N 375.411 3.118 0 1 GGAF Nc1ccccc1NC(=O)CCCCNC(=O)c1csc(-c2ccncc2)n1 117585391 LFSOJTQOPVIJEH-UHFFFAOYSA-N 395.488 3.326 0 1 GGAF CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(/C=C/C(N)=O)ccc2c1=O 38445775 UMRSSKBWGUGDJF-PKNBQFBNSA-N 375.472 3.282 0 1 GGAF COc1ccc(CC[C@H](C)NC[C@H](O)c2ccc(C)c([S@@](C)=O)c2)cc1 39316240 QDPVFSGOTRXMLH-DYAGGBNNSA-N 375.534 3.385 0 1 GGAF COC[C@]1(C)NCCc2c1oc1cc(S(=O)(=O)c3cccc(F)c3)ccc21 73221597 DTFIZXBTCSCPFU-FQEVSTJZSA-N 389.448 3.412 0 1 GGAF COc1cc(OC)c(/C=C/[S@@](=O)Cc2ccc(OC)c(N)c2)c(OC)c1 71334388 PTLMUODWSDJPNR-GJTXFRBNSA-N 377.462 3.223 0 1 GGAF CCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205032 DDFPIPDHPCZOHC-KRWDZBQOSA-N 396.516 3.130 0 1 GGAF Cc1ccccc1[C@@H]1CC(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)C1=O 40950609 CKCWLQCNHZGXGX-FQEVSTJZSA-N 397.906 3.271 0 1 GGAF CCOC(=O)C1=C(c2ccc3c(c2)OCO3)Nc2cc(OC)ccc2[C@@H]1NC 49068331 SYLJXJQQWIVPGR-FQEVSTJZSA-N 382.416 3.084 0 1 GGAF O=C(c1ccc(C2CC2)c(OCC2CC2)n1)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 146448848 UPFRRDUBZREZMS-CZUORRHYSA-N 384.398 3.133 0 1 GGAF Cc1cccc(-c2noc(C3CN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)c1 95578351 YHEICCZGDJGUTG-UHFFFAOYSA-N 389.864 3.487 0 1 GGAF Cc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1 299852691 WKEQQLYEZQNSSQ-IAGOWNOFSA-N 377.448 3.043 0 1 GGAF COC(=O)c1ccc(C[C@@]2(C(=O)OC)CC(=O)O[C@]2(C)c2ccccc2)cc1 299824872 DWWKXCZMKXNHTN-YADHBBJMSA-N 382.412 3.037 0 1 GGAF COc1cncc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c12 586984917 QEQLVPNSLGIYIV-ZDUSSCGKSA-N 389.253 3.149 0 1 GGAF NS(=O)(=O)c1c[nH]c(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)c1 586930321 QKJFRZYNWLRMHW-UHFFFAOYSA-N 398.288 3.243 0 1 GGAF CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=CN1C 587759479 LFZKYHLMOXZSEU-XLFHBGCDSA-N 381.245 3.135 0 1 GGAF COc1cncc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 586960220 NAKZJBBXSAOAHT-QHCPKHFHSA-N 394.294 3.469 0 1 GGAF CN1CCc2c(Br)cccc2[C@@H]1c1cccc(NS(C)(=O)=O)c1 963281263 QZVUXCQRODTRCQ-KRWDZBQOSA-N 395.322 3.398 0 1 GGAF CC(C)NC[C@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963224446 CIWRBPGQFSPTIV-FYYLOGMGSA-N 375.472 3.075 0 1 GGAF C[C@@H]1C[C@]2(CC[C@H]1C(=O)O)N[C@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962716580 WVRZVVSSGSNGMN-HHIJHDLDSA-N 389.345 3.160 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ncccc1NC(=O)OC(C)(C)C)NCC2 962920551 BTLWVCIGWMGAMN-SFHVURJKSA-N 396.491 3.366 0 1 GGAF COc1ccc2c(c1)O[C@@H](c1ccccc1)C(=O)[C@@]21NCCc2c(C)ccnc21 963067984 BGPHBQLJSSTZFJ-XUZZJYLKSA-N 386.451 3.491 0 1 GGAF COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)cc1F 11761509 WFOZWYOYPVTICO-CQSZACIVSA-N 386.423 3.436 0 3 GGAF COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)CC1 13741012 YZCKPGFZFNXGTL-ZCNNSNEGSA-N 385.552 3.150 0 1 GGAF CS(=O)(=O)Nc1ccc(-c2cncc(-c3cccc4c3CC(=O)N4)c2)cc1 1857566718 WUBJFKQHSLPIGO-UHFFFAOYSA-N 379.441 3.282 0 1 GGAF CCOC(=O)C1=C(CSC2=NCCS2)N(C)C(=O)N[C@@H]1c1ccccc1 1857771616 SOZZSVHRIKTFCK-OAHLLOKOSA-N 391.518 3.036 0 1 GGAF O=S1(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)CCCC1(F)F 148606520 NJLWZWJRYGEZPN-AWEZNQCLSA-N 394.443 3.174 0 1 GGAF C[C@@]12C(=O)N(Cc3ccccc3Cl)CC(=O)N1CCc1c2[nH]c2ccccc12 2099561 JHENVYOMTCQKQQ-JOCHJYFZSA-N 393.874 3.464 0 1 GGAF biogenic COc1ccc(-c2nnc3n2N=C(c2ccc(OC)cc2OC)CS3)cc1 9288826 WDEZBKCLNQBLOU-UHFFFAOYSA-N 382.445 3.329 0 1 GGAF COc1c(C(C)C)cc2c(c1OC)[C@@]13CCC(=O)C(C)(C)[C@@H]1[C@H](OC3=O)C2=O 103177430 IHDSUQHVZZRGGR-DXIQSLLYSA-N 386.444 3.192 0 1 GGAF C[C@@](O)(CS(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 73388638 DAVSJIXXNULHKV-QGZVFWFLSA-N 378.837 3.071 0 1 GGAF CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc2c(c1)OCCS2 40951170 OKRFWLHFFMDJDB-UHFFFAOYSA-N 394.518 3.397 0 1 GGAF CC(=O)NCCn1c(C2CC2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82197245 POCLTGQIEDBNAM-CQSZACIVSA-N 378.480 3.055 0 1 GGAF COc1cc(Cc2nc(-c3ccc(Cl)cc3)n[nH]c2=O)cc(OC)c1OC 40916481 MFAUDWHDTOGPRH-UHFFFAOYSA-N 387.823 3.102 0 1 GGAF CC(C)CCNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1 223388530 FBQOFFZENWUAHV-UHFFFAOYSA-N 388.899 3.479 0 1 GGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc([C@@H](N)N=O)cc4[nH]3)cc12 587038090 QEZAQDSPQNEEFL-VFZGTOFNSA-N 397.464 3.034 0 1 GGAF CCCCOc1cc2nc([C@@H](N)CCC(=O)OC)[nH]c2cc1Br 587258314 GPXOCNVBUGTBMD-NSHDSACASA-N 384.274 3.457 0 1 GGAF CCOC(=O)C[C@]1([C@@H]2CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619000 VZJKVDRPBUNPJE-LRXVAGHRSA-N 398.411 3.225 0 1 GGAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnc2cc(C(=O)O)nn12 587522378 FBQLIOMDCBCCCF-QFIPXVFZSA-N 391.427 3.495 0 1 GGAF Nc1ccnc2[nH]c(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)nc12 587114210 QKLREHLZPALMIA-UHFFFAOYSA-N 381.383 3.431 0 1 GGAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587768995 FURPHXHEHYVNBP-FVMDXXJSSA-N 379.229 3.393 0 1 GGAF CCc1ccc([C@@]2(C(O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587827056 NBJCYISSKHNQBP-JEOXALJRSA-N 394.284 3.239 0 1 GGAF CCc1ccc([C@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587825339 HALJZHWTUHWYSE-WYRIXSBYSA-N 394.284 3.239 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1c(C)n[nH]c1C 587869279 FPTGTYOCKXHNDZ-UHFFFAOYSA-N 379.342 3.195 0 1 GGAF Nc1ncnc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc12 587026756 MMZMBQLQUDLAAX-RDBSUJKOSA-N 382.493 3.072 0 1 GGAF COC(=O)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1OC 587042418 TWOTYBPDDOOESN-HOTGVXAUSA-N 383.473 3.304 0 1 GGAF Cc1cc(C(=O)O)nn1Cc1cc(C(=O)O)cc2sc(N3CC=CCC3)nc12 1772584331 GCQXBDBBBMJKGR-UHFFFAOYSA-N 398.444 3.012 0 1 GGAF CCC(=O)c1ccccc1OC[C@H](O)CN1CCC(O)(c2ccccc2)CC1 13529187 JZWSXDGWDPUKQK-LJQANCHMSA-N 383.488 3.003 0 1 GGAF CS(=O)(=O)c1ncc(CN2CCc3ccccc3C2)n1Cc1ccccc1F 19794925 MJPHRLMWIPPABR-UHFFFAOYSA-N 399.491 3.032 0 1 GGAF CNc1nc(Nc2ccc(CN3CCOCC3)cc2OC)ncc1C(F)(F)F 205925921 HFGQVGZJGVAUJQ-UHFFFAOYSA-N 397.401 3.122 0 1 GGAF CCCC(=O)OCSc1ccccc1C(=O)NCCCCCCC(N)=O 1857539233 ISWYRXUOCFRCMM-UHFFFAOYSA-N 380.510 3.245 0 1 GGAF CNc1nc2cc([C@]3(O)c4ccccc4C(=O)N3Cc3ccccc3)ccc2[nH]1 116254831 WCKJQTNVFAFOSR-QHCPKHFHSA-N 384.439 3.454 0 1 GGAF C[C@@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12 28820739 BDGUZDOTNGSANE-ZETCQYMHSA-N 383.449 3.032 0 1 GGAF COc1cc2c(cc1OC)[C@]1(Cc3ccc4c(c3[C@H]1OC)OCO4)N(C)CC2 2356383922 DZYSSFNYDTVPHM-YADHBBJMSA-N 383.444 3.060 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C[C@]3(OC)OC(=O)C(C)=C3C[C@@]2(C)[C@@H]1C 2356489769 JEEFDVONXYYLJM-DTBOICQTSA-N 378.465 3.042 0 1 GGAF COc1ccc(/C=C/C(=O)OCc2cc(=O)[nH]c3cc(OC)c(OC)cc23)cc1 26386764 ISSSVCVSZWIUAR-RMKNXTFCSA-N 395.411 3.311 0 1 GGAF CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCc2ccoc2)[C@]23CCC[C@](C)(C(=O)OC2)[C@@H]13 31159562 NRXALCWIVBLUAS-VIGKCLRPSA-N 390.476 3.264 0 1 GGAF CCO[C@@H]1OC[C@@H]2[C@@H](c3ccc(O)c(OC)c3)c3cc(O)c(OC)cc3C[C@H]12 14641791 RNOPWZULBAWWIL-WWLNLUSPSA-N 386.444 3.428 0 1 GGAF biogenic O=C(O)c1cn(Cc2ccc(-c3cccnc3)cn2)c2c(F)cccc2c1=O 45389065 NOHQQPQDHAVWGT-UHFFFAOYSA-N 375.359 3.344 0 1 GGAF CCC(CC)c1nc2c(NCc3ccccc3)ncnc2n1CCNC(C)=O 82178681 OGAHHULYBGPRAH-UHFFFAOYSA-N 380.496 3.478 0 1 GGAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1cccc(F)c1)[C@@H](N)CC2 88260835 NHRJHZAPGPUPHB-RTWAWAEBSA-N 390.524 3.255 0 1 GGAF Cc1ccc(N2CCc3ncnc(NC[C@]4(O)CCCC(C)(C)C4)c3C2)nc1 148319015 HTVUSDVRSXVDKG-QFIPXVFZSA-N 381.524 3.486 0 1 GGAF C/C=C(/C)C(=O)O[C@H]1CC[C@@](C)([C@@H]2C=C[C@](C)(O)CC2)O[C@@]1(C)COC(C)=O 238786599 OYQMZQOODNGOAA-RFRCQEPSSA-N 394.508 3.473 0 1 GGAF CCOc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OCC(=O)O)c(F)c1 473090593 WPENAVNUOSVGPX-LBPRGKRZSA-N 377.368 3.094 0 1 GGAF COC(=O)[C@@H]1SC[C@H](C)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587854585 CYXMURTYDDMSPE-CHHSTLLZSA-N 388.302 3.242 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(OCCOC(C)=O)c(OC)c1)[C@@H](C2)C3=O 587439559 BNHBBTNOUQPRCS-KSFYIVLOSA-N 398.411 3.134 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(Cn1cc(C(F)(F)F)ccc1=O)[C@@H](C2)C3=O 587419493 CJEWADXPZHZXIX-UGSOOPFHSA-N 379.334 3.082 0 1 GGAF COc1cccc(F)c1C(=O)c1c(CO)oc2cc(Br)cnc12 587277006 WDPCJNABECGDFK-UHFFFAOYSA-N 380.169 3.461 0 1 GGAF CN(Cc1nc2cc(F)c(F)c(F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928830 LAZPAZAEMGLQTH-UHFFFAOYSA-N 389.786 3.454 0 1 GGAF O=C(O)CSc1ncccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586966482 FNYBKWGAVKIHDM-UHFFFAOYSA-N 389.746 3.215 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCC(=O)N1CCCC1)O2 587394842 JNUQYOMRVNPOCS-FQEVSTJZSA-N 380.444 3.285 0 1 GGAF Cc1nn(C)c(N(C)C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583440 WIBGTAUZYJNKIE-FXAWDEMLSA-N 379.416 3.203 0 1 GGAF O=C(c1nc2cc(-n3cnnn3)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133217 MTAUFKSUEPPZLB-UHFFFAOYSA-N 377.166 3.216 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)CCC(=O)O)c1)O2 587389887 MUHPVFMSPNZKQF-NRFANRHFSA-N 382.416 3.261 0 1 GGAF COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587586505 IQXZEBJVBIQONQ-PXNSSMCTSA-N 377.352 3.277 0 1 GGAF Cc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cc1F 587024309 UIVFJKXTONKJAR-UHFFFAOYSA-N 382.424 3.495 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(O)ccc12 587791102 IFXFBKTYTXWWIX-QPFGOUBPSA-N 377.213 3.024 0 1 GGAF COc1ccc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1C(=O)O 962772334 VYTNCXVUVZTDIY-HOCLYGCPSA-N 379.334 3.129 0 1 GGAF CCN1C=C[C@@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)C(N)=C1 962959124 PZIOSQHPZIMUDD-IBGZPJMESA-N 379.426 3.201 0 1 GGAF COc1cc(C(=O)N[C@@H](c2ccccc2F)C(C)(C)O)ccc1-c1cn[nH]c1 1772571692 UHTJASDMENLSNM-IBGZPJMESA-N 383.423 3.466 0 1 GGAF COc1ccc(C2=NO[C@@H](COc3ccc4ccc(=O)oc4c3)C2)c(OC)c1 1772573485 NKXIWRTVOUYGBK-MRXNPFEDSA-N 381.384 3.382 0 1 GGAF CCCN(CC[C@@H](C)[C@@H]1CC=C(C)CC1)Cc1ccc2c(c1)=[N+]([O-])C(C)(C)[N+]=2[O-] 169306304 MHOPYBVKHSVQDN-TZIWHRDSSA-N 399.579 3.399 0 1 GGAF O=C(Oc1cccc(Cn2ccc(=O)[nH]c2=O)c1)c1cc(Cl)cc(Cl)c1 169324122 LPEVATDHFSVNNK-UHFFFAOYSA-N 391.210 3.111 0 1 GGAF N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccccn3)s2)c1 26376208 ISQVFVSYFBMAFK-ONEGZZNKSA-N 378.457 3.243 0 1 GGAF CSc1nn(-c2ccccc2)c2nc(Nc3cccc(Cl)c3)n(N)c(=O)c12 103210740 NVMGYSVUQSMMTD-UHFFFAOYSA-N 398.879 3.415 0 1 GGAF Cc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3C[C@H](O)CF)nc2n1 117875297 IPLXQNRTKMSKRF-MRXNPFEDSA-N 399.495 3.387 0 1 GGAF CC=C1CN2[C@H](C(=O)O)Cc3c([nH]c4ccccc34)[C@@H]2C[C@H]1[C@H](C)C(=O)OC 2356475477 FDYRVJVOEPEUJZ-IHUDTTQWSA-N 382.460 3.296 0 1 GGAF CC(=CCc1cc(C(=O)O)ccc1O)CC[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1 2356576261 UEDBFLUWLOXTGA-NNMXDRDESA-N 392.492 3.429 0 1 GGAF O=C(N[C@H]1N=C(c2cccc(Cl)c2)c2ccccc2NC1=O)c1ccco1 28572265 UDLVISZTTALEGL-GOSISDBHSA-N 379.803 3.479 0 1 GGAF Cc1ccc(-c2nnc(CNc3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc1 73166102 GCFJFNKCMBDHTL-UHFFFAOYSA-N 375.432 3.455 0 1 GGAF CC1(C)C(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)C1(C)C 216198686 WOBNJDASNMEFAH-UHFFFAOYSA-N 377.865 3.230 0 1 GGAF Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2-c2ncc(C)o2)c1 82173336 MEBPUBXIVBOJNJ-INIZCTEOSA-N 377.448 3.117 0 1 GGAF COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc(OC)cc(OC)c32)c1 40403699 JYSAGENGFQRLMW-SFHVURJKSA-N 383.400 3.089 0 1 GGAF Cc1cnc(NCC(C)C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1 89469284 QMTGEHVGTSSLLW-LJQANCHMSA-N 393.491 3.311 0 1 GGAF CCNC(=O)Nc1cc(Nc2cccnc2)c(C(=O)Nc2cccnc2)cn1 144574282 FQGIFVMQXGSXBK-UHFFFAOYSA-N 377.408 3.009 0 1 GGAF CCCC(=O)N1CCC(c2cc(C)nn2-c2ccc(S(C)(=O)=O)cc2)CC1 96934843 CRHFRHBHDVFXDB-UHFFFAOYSA-N 389.521 3.090 0 1 GGAF CCC(=O)[C@@H]1C(=O)OC(C)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587834719 SCAXRFDLBBLFPK-GSNHRHSFSA-N 396.256 3.374 0 1 GGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 587229390 APEPBZZQLIIJFN-GHMZBOCLSA-N 396.285 3.067 0 1 GGAF COC(=O)[C@@H]1SC[C@H](C)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587616600 FQLWNOUIFDLLEQ-HLSMKRFBSA-N 386.425 3.017 0 1 GGAF COC(=O)c1cc2[nH]c(C[C@H](NC(C)=O)c3ccc(C)cc3)nc2cc1OC 587216789 MKCHRCGOFMITPG-INIZCTEOSA-N 381.432 3.086 0 1 GGAF CC[C@@]1(C(F)(F)C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550662 VVKFEGFWOSWOQQ-KBXCAEBGSA-N 378.327 3.311 0 1 GGAF N[C@@]1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C[C@H]1c1ccccc1F 587153848 ASVINQDXGSGMFO-QKKBWIMNSA-N 390.422 3.103 0 1 GGAF Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccncc3)c3ccccc3N(C)C2=O)c1 13733003 OJASYJSBXRPJBV-NRFANRHFSA-N 399.454 3.352 0 1 GGAF O=C(O)CCC/C=C/C[C@H]1[C@@H](CNC(=O)NCc2ccccc2)[C@H]2CC[C@H]1O2 169327192 WKHILVPAOTUCOV-LYUJPSGTSA-N 386.492 3.481 0 1 GGAF Cc1ccc(CC(=O)Nc2cncc(C(=O)c3cn(C)c4ncncc34)c2)c(C)c1 169707739 LSGYYBJYAGBROW-UHFFFAOYSA-N 399.454 3.392 0 1 GGAF O=C(Nc1ccc(C(=O)N2C[C@H]3CCO[C@H]3C2)cc1)N1Cc2ccccc2C1 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MXYBLTGAEMGHCV-UHFFFAOYSA-N 383.452 3.277 0 1 GGAF CC(C)=CCOc1c2occc2c(OC[C@@H](O)C(C)(C)O)c2ccc(=O)oc12 1857560046 QQBIYLZMQNGLFM-OAHLLOKOSA-N 388.416 3.395 0 1 GGAF CC1CCC(C(=O)N[C@@H](C(=O)N2CCC(N3CCCCC3)CC2)C(C)C)CC1 4101779 UZHXZIXQZACHRL-GZNCHQMQSA-N 391.600 3.430 0 3 GGAF O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)Nc1ccccc1C(F)(F)F 4145898 HIMOTPAEFIRMHB-OJXGSEEGSA-N 380.366 3.065 0 1 GGAF Cn1c(CO[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2F)nc2ccccc21 2356300381 UYKPSHZRVSRPRO-FOIQADDNSA-N 383.423 3.041 0 1 GGAF COc1ccc2c(c1)C(=O)[C@H](O)[C@@H](c1ccc(OC)c(Br)c1)O2 8681953 LSFAWTODWZZGOF-DLBZAZTESA-N 379.206 3.144 0 3 GGAF O=C(NCCNc1nccc(-n2ccc3cccnc32)n1)c1ccc(Cl)cc1 1911585008 YXOQVDVQJAMTEP-UHFFFAOYSA-N 392.850 3.311 0 1 GGAF CN1C(=O)c2cc(Br)c(Br)n2[C@@H]2[C@@H]1C2(Cl)Cl 101419465 YVBOXWNZWXPTHZ-PHDIDXHHSA-N 388.874 3.196 0 1 GGAF O[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccc4ccccc4c3)O[C@H]2[C@@H]1O 28571548 VCSOJGYABOFPAQ-FHJOOOADSA-N 378.424 3.116 0 1 GGAF O=C(NC(=O)c1cccs1)NC1CCN(CCc2c[nH]c3ccccc23)CC1 27995704 NYISBVHBCGQSSW-UHFFFAOYSA-N 396.516 3.376 0 1 GGAF O=C(O)c1ccccc1S(=O)(=O)n1ccc2cc(Br)ccc21 28375588 RGZDWZUMVMDEAG-UHFFFAOYSA-N 380.219 3.339 0 1 GGAF in-vivo O=C1N=C(O)[C@@]2(CCC(=O)N2c2ccc(Oc3cccc(Cl)c3)cc2)C(=O)N1 28136744 OBJUQGMKRHTFFQ-UHFFFAOYSA-N 399.790 3.204 0 1 GGAF COc1cc2ccc(=O)oc2c(OC)c1OC[C@@H](O)[C@](C)(O)CCC=C(C)C 84705111 NIDLLNZZMATZKI-IIBYNOLFSA-N 392.448 3.047 0 1 GGAF CNC(=O)c1ccc(-c2ccc3nnc(Cc4ccc(O)cc4)n3n2)cc1Cl 40430425 AELVRPDBJHETKG-UHFFFAOYSA-N 393.834 3.101 0 1 GGAF CC(C)CNC(=O)c1cnc(NCCCn2ccnc2)nc1Nc1ccccc1 45289372 SVFFWFIKJULTLW-UHFFFAOYSA-N 393.495 3.305 0 1 GGAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1 82214907 OVGKPKKNDKYSPZ-BEFAXECRSA-N 398.482 3.428 0 1 GGAF CN[C@@H](C)C(=O)Nc1ccc2c(n1)OC(C)(C)C(=O)N2c1ccc(Cl)cc1 143379314 QZYBEEMBWZGJBJ-NSHDSACASA-N 388.855 3.117 0 1 GGAF CC(C)c1ccc(N2C(=O)N[C@@H]3CCN(C(=O)c4ccccc4)[C@H]3C2=O)cc1 25411093 CSULCJICBLHNIO-RTBURBONSA-N 377.444 3.150 0 1 GGAF biogenic CN(CCc1ccccc1)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)Nc2ccccc2)O1 30878996 KAYSPKCQKRVLJW-FKBYEOEOSA-N 382.504 3.098 0 1 GGAF biogenic Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc([C@H](N)N=O)cc4[nH]3)cc12 587038087 QEZAQDSPQNEEFL-BJOHPYRUSA-N 397.464 3.034 0 1 GGAF CNC(=O)[C@H]1C[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587234163 CRFQZKBBOHAHTN-RITPCOANSA-N 378.148 3.074 0 1 GGAF CCOC(=O)c1cn(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)nn1 587104234 FNJOALXWUPQXEU-UHFFFAOYSA-N 384.395 3.263 0 1 GGAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)c(F)cc2[nH]1 586962017 NKQOAVKEIRWQHZ-YFKPBYRVSA-N 384.234 3.396 0 1 GGAF CC(C)(C)n1cc(O)c([C@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)n1 962730190 MHHUCIBDLMIRLA-FZKQIMNGSA-N 381.398 3.253 0 1 GGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](c2cc(F)cc(F)c2)(c2ccccn2)N1 962906428 YEBCXJFQUZUUJX-GHTZIAJQSA-N 384.357 3.390 0 1 GGAF C=CC(=O)Nc1cc(Nc2n[nH]c3ccccc23)ccc1N(C)CCN(C)C 1772632089 MLUSPHXLWLGAGE-UHFFFAOYSA-N 378.480 3.429 0 1 GGAF Cc1cncc(C(=O)Nc2cccc(CN3CC[C@H](C(=O)NC(C)(C)C)C3)c2)c1 1772609970 RYRHEFZZFQSXGA-SFHVURJKSA-N 394.519 3.379 0 1 GGAF Fc1ccccc1Cc1noc(CN2CCC(OCc3cccnc3)CC2)n1 12442646 YTRQLJZVVUVRME-UHFFFAOYSA-N 382.439 3.376 0 3 GGAF COCC1CN(C(=O)c2cccc(Oc3cc(CN)cc(C(F)(F)F)n3)c2)C1 1857577771 XNZLGZUMPGXVDF-UHFFFAOYSA-N 395.381 3.070 0 1 GGAF O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 4054046 DBKBGGCIYBTCQS-IRFCIJBXSA-N 376.412 3.221 0 1 GGAF C[C@]12CC[C@@H]3c4ccc(C(F)(F)S(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O 28530678 CGICPVYDWUKRBZ-CBZIJGRNSA-N 383.460 3.450 0 1 GGAF CN1[C@@H]2CC[C@@H]1CC(NC(=O)c1cc(=O)n(-c3ccccc3)c3ccccc13)C2 100643184 LGKSUDPSBCMQRR-RTBURBONSA-N 387.483 3.346 0 1 GGAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@]4(CC2)CN(CCc2ccccc2)CC[C@@]314 29315061 WLSQQOZOVMNIED-WAABAYLZSA-N 389.495 3.203 0 1 GGAF O=C([C@H]1C[C@H]1c1cccc(N2CCCCC2=O)c1)N1CCN(C2CCC2)CC1 113833869 GOTOYADHTXKQLS-SFTDATJTSA-N 381.520 3.004 0 1 GGAF c1cc2[nH]nc(-c3ccc4c(c3)ncn4C3COC3)c2c(OC2CCOCC2)n1 114771589 ZIYFZCUSEUPLSK-UHFFFAOYSA-N 391.431 3.104 0 1 GGAF COc1cc(C(F)(F)F)cc(C)c1C(=O)N[C@H]1COCC[C@@H]1N1CCCC1 118604033 PLTVTYLSBCWJSJ-GJZGRUSLSA-N 386.414 3.006 0 1 GGAF C[C@]12CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1CC[C@@]13C[C@@H](Nc4ccccc41)C(=O)C[C@H]32 2356584828 UESFHRIHCVPQCD-NZQABMISSA-N 383.488 3.360 0 1 GGAF COc1cc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2ccc3c(c2)OCO3)cc(O)c1OC 2356645182 HWUXVEOGRHSOBG-ILWKUFEGSA-N 386.400 3.213 0 1 GGAF COc1cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc2c(OC)c1O 73168169 ONLDUIPYYHAFQU-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF CC1(O)CN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)C1 215837653 JSIXHLXAGSLVFU-UHFFFAOYSA-N 387.443 3.379 0 1 GGAF CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1ccccc1)CC2 34350292 APZAJCZLYILDDW-HXUWFJFHSA-N 385.552 3.194 0 1 GGAF Cc1ccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(-c3ccccc3)nn4C)C2)cc1 82196116 UMIRWUJJTAZZKL-UHFFFAOYSA-N 398.466 3.436 0 1 GGAF COCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc(C)c1 82147256 MQDYIDDQSPVVKO-IRXDYDNUSA-N 382.508 3.311 0 1 GGAF Cc1nc2c(cnn2-c2ncnc3sc4c(c23)-c2ccccc2CC4)c(=O)[nH]1 43079895 RQXGHYYPJPQJQN-UHFFFAOYSA-N 386.440 3.188 0 1 GGAF CCS[C@@H]1[C@H](SCC)[C@@H](CO)O[C@H]1n1cc(-c2ccc(F)cc2)nn1 45388044 CMXVEIHBVMKFSQ-QBPKDAKJSA-N 383.514 3.217 0 1 GGAF Cc1cccc(OC[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)n1 96175590 RAGJBUUPALHONH-QZTJIDSGSA-N 391.475 3.290 0 1 GGAF C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccc(C(C)(C)C)cc1)C(=O)O 95563760 DXJKUBDYLQGAFL-KRWDZBQOSA-N 390.480 3.136 0 1 GGAF CNc1nc(Nc2ccc(-c3nnnn3C)cc2Cl)ncc1C(F)(F)F 95577398 WWSWXMYEELUOBP-UHFFFAOYSA-N 384.753 3.125 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@]2(Cl)CCOC2=O)N1 587691170 CVROJLZDRSIBIG-KBOAJJQZSA-N 376.653 3.262 0 1 GGAF C[C@H](F)[C@@H](N)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587122297 CRGAMZYBZMJJKI-BJOHPYRUSA-N 382.848 3.375 0 1 GGAF CC(=O)N(C)c1cccc([C@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 587386439 JDWAKJNFQBXCBS-ZUTVHTERSA-N 393.487 3.496 0 1 GGAF O=S(=O)(c1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1)C(F)(F)F 587089647 FQEXCMQJNSUIAW-UHFFFAOYSA-N 377.294 3.392 0 1 GGAF CCOC(=O)[C@]1([C@H]2CCCC2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587798526 OUJPPWSXYJVMCF-GDAOTKPNSA-N 398.272 3.250 0 1 GGAF COC(=O)c1cccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 587161687 PGOMAVQAWOXHSM-UHFFFAOYSA-N 385.786 3.449 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(F)cccc12 587739805 VWPRPKGAXQIOAU-RBHXEPJQSA-N 379.204 3.457 0 1 GGAF COC(=O)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2n1 587127571 XLRSYDVFLWGOEG-UHFFFAOYSA-N 377.282 3.186 0 1 GGAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 586945922 CXCABGGHDVXKLJ-CYBMUJFWSA-N 391.880 3.341 0 1 GGAF CCCCC[C@H](O)CCC[C@@H](CCCCCCC(=O)O)S(=O)(=O)CCO 144418958 RWCBBFGXZXCUJG-ZWKOTPCHSA-N 394.574 3.299 0 1 GGAF O=C([C@H]1Cc2ccccc2[C@H](c2ccc(-n3cncn3)c(F)c2)N1)C(F)(F)F 962762424 IYTHHMLSJFZFBD-WBVHZDCISA-N 390.340 3.142 0 1 GGAF NC(=O)N1CCc2sccc2[C@]1(C(F)(F)F)C(F)(F)Br 962715355 RNIXQEYEBZFENZ-MRVPVSSYSA-N 379.148 3.430 0 1 GGAF Oc1ccc([C@@]2(CN3CCOCC3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963096276 DDBFMTBBEVXDFO-OFNKIYASSA-N 382.479 3.128 0 1 GGAF CN(C)CCC(=O)Nc1ccc2[nH]cc(-c3cn(Cc4ccccc4)nn3)c2c1 1772639320 GPLUFUYGOIIVTK-UHFFFAOYSA-N 388.475 3.365 0 1 GGAF COc1ccc(C(=O)O[C@@H]2C=CO[C@H](C)[C@H]2OC(=O)c2ccc(OC)cc2)cc1 5810394 OEHLTPIDZCHVKH-JSNMRZPZSA-N 398.411 3.387 0 1 GGAF Cc1cc(CN(C)C)ccc1C(=O)Cn1ncc(OCc2ccccc2)cc1=O 169711432 DHFJGWKDFMSSAN-UHFFFAOYSA-N 391.471 3.075 0 1 GGAF O=C(NCCN1CCCC1)c1ccc(OC2CCN(C3CCCC3)CC2)cc1 1857613309 IJDFMYHFVNWRLK-UHFFFAOYSA-N 385.552 3.298 0 1 GGAF O=C(O)C[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 2356318576 BYUGCKVEHVFTMB-CVEARBPZSA-N 395.434 3.498 0 1 GGAF C[C@@H]1CC(C)(C)NC(=S)N1CC(=O)N(C)c1ccc(Br)cc1 3662117 HWTMIOFCLJDYEB-LLVKDONJSA-N 384.343 3.159 0 1 GGAF COC(=O)[C@@H]1[C@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2Cc1ccccc1 27184220 XYKATAPFAYNVFX-BQJUDKOJSA-N 379.456 3.438 0 1 GGAF CC(=O)Nc1ccc2c(c1)C[C@@H]1CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccccc1 28348863 RNRCQICMAYSEFP-LLGFUMIMSA-N 384.501 3.117 0 1 GGAF O=C(OCCCc1ccccc1)[C@@H]1[C@@H]2CC[C@H](C2)N1S(=O)(=O)c1ccccc1 100900841 KIOGMUGRDVHMLR-SBHAEUEKSA-N 399.512 3.404 0 1 GGAF COCCOCO[C@@H]1/C=C\COC(=O)/C=C/[C@@H](OC)[C@@H]2CCC(C)=C1C2(C)C 66112595 KVCWSBGNYBVWSY-XQWRBEDLSA-N 394.508 3.429 0 1 GGAF CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 32520642 UTOFQTBLXWAINL-UHFFFAOYSA-N 380.444 3.013 0 1 GGAF O=C(O)[C@@H]1CN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCO1 43202665 WGNYIJNJSDBPLE-SFLYRZDNSA-N 377.484 3.409 0 1 GGAF COc1cccc(-c2nc3c(N4CCCC4)cccc3n2C[C@H]2CCCN2)n1 84742132 VOVBYBYEYGCZIL-MRXNPFEDSA-N 377.492 3.459 0 1 GGAF COC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2ccc(C)cc2)n1 82074596 BVTBUHDZFHOZCL-IBGZPJMESA-N 394.427 3.138 0 1 GGAF CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc(F)cc1 95894109 DRSABBCEBPKDLZ-HKBOAZHASA-N 383.467 3.094 0 1 GGAF COc1ccc(COC(=O)C2=C(C)N(C)C(=O)N[C@H]2c2ccco2)cc1OC 95591699 JLXBORXLMOFCAZ-SFHVURJKSA-N 386.404 3.010 0 1 GGAF NS(=O)(=O)c1ccc(-n2ncc3c2-c2ccc(Cl)cc2SC3)cc1 95573441 OEZYKWLLDKHTRE-UHFFFAOYSA-N 377.878 3.446 0 1 GGAF Cc1ccc(NC(=O)c2cnc(Cl)cn2)cc1[C@@]1(C)CCSC(N)=N1 147781580 KFZBNXGVAUKQLR-QGZVFWFLSA-N 375.885 3.358 0 1 GGAF C=CCN(C)C(=O)[C@H](C)[C@H]1CCc2c(C)cc(OCCOC)c(C)c2[C@@H]1O 25205999 CZYVBKLNNXDTKW-FQELHTAISA-N 375.509 3.205 0 1 GGAF biogenic COc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCCO3)cc1OC 238732668 RQLDIROHMXEAOI-DLBZAZTESA-N 384.428 3.049 0 1 GGAF CCCCNc1ncc(C(=O)NC2CCCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 261171183 SYMFPMGEVCPXSZ-QAQDUYKDSA-N 389.544 3.467 0 1 GGAF COc1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)c3ccccc3F)nc2)nc1 261152773 PGYMNJJPHBBSMN-IBGZPJMESA-N 395.390 3.237 0 1 GGAF Cc1cc2nc3c(cn2n1)CN([C@@H]1CC[C@H](c2cc(F)ccc2F)[C@@H](N)C1)C3 653916354 ACTLPXXDVMYWFS-MDZRGWNJSA-N 383.446 3.295 0 1 GGAF Cc1csc([C@@](O)(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)C(F)(F)F)n1 587094055 IYVQZOIHEYGDPL-JSGCOSHPSA-N 385.371 3.044 0 1 GGAF CCn1cc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587342747 PMFKZQUPWCGYLK-WIYYLYMNSA-N 396.374 3.087 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccccc1F 587569905 SHEDOIOTAFOHLA-UWJYYQICSA-N 380.327 3.473 0 1 GGAF CCOc1ccccc1[C@](N)(c1nc2ccc(C(=N)N)cc2[nH]1)C(F)(F)F 587091506 FAUNPDGPMAPOCI-KRWDZBQOSA-N 377.370 3.010 0 1 GGAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(O)cc2[nH]1)c1ccc(F)cc1 587171053 WFEPTLWBYDJWSB-IBGZPJMESA-N 397.431 3.476 0 1 GGAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC(N)=O 587510538 LFQUOYIJEBGQTM-IBGZPJMESA-N 381.428 3.145 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c2ccc(F)c1F 587568234 GXHHBTWTGIMZQX-VFNWGFHPSA-N 395.317 3.480 0 1 GGAF CCOC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccc(F)cc1 587650023 OOQXRXRGUKPEIG-UHFFFAOYSA-N 389.404 3.118 0 1 GGAF C=CN1CC[C@@H]([C@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587396610 UNNAAGSNNSVIRG-WZONZLPQSA-N 392.455 3.439 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1 587871727 BVJDWMMOBPUJHI-HRCADAONSA-N 389.471 3.473 0 1 GGAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cnncc2[nH]1 587166825 ASCYBYDVLAQASS-UHFFFAOYSA-N 375.410 3.021 0 1 GGAF CCOC(=O)C(=O)[C@@H]1CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587799902 UUFHHWHSPKVPMX-GDAOTKPNSA-N 398.272 3.250 0 1 GGAF Cc1ccc(-c2nnc(SCc3nc4ccc(C(N)=O)cc4[nH]3)n2C)cc1 586965669 OBLQBATUWBUQHF-UHFFFAOYSA-N 378.461 3.058 0 1 GGAF CCOC(=O)N1CCC[C@]2(CC1)c1c(ccc(OC)c1OC)C[C@H](C)N2C 962636603 SQITZQULGKKHGC-BTYIYWSLSA-N 376.497 3.418 0 1 GGAF COC(=O)c1cc(Br)c([C@H]2NCCc3ccc(F)c(C)c32)n1C 962094467 STRMKKUJBGLCOI-HNNXBMFYSA-N 381.245 3.257 0 1 GGAF CC(=O)[C@H]1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N[C@@]1(O)C(F)(F)F 12377580 QXWLIBJAVGUJDL-JZXOWHBKSA-N 394.349 3.289 0 1 GGAF COc1ccc(OCc2cc(C(=O)NC[C@H]3CCCCO3)no2)c(Cl)c1 12592167 YTFJJXPHQXGQON-CYBMUJFWSA-N 380.828 3.215 0 3 GGAF CCc1cc(Nc2cc(=O)n(CCCCN3CCCCC3)c(=O)[nH]2)ccc1C 13522415 VLSDLKNDTNUHRS-UHFFFAOYSA-N 384.524 3.417 0 1 GGAF COc1cc2c(CCNC(C)=O)c(Br)[nH]c2cc1Br 13781215 AEPQBPVSJSMGAD-UHFFFAOYSA-N 390.075 3.380 0 1 GGAF O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@H](O)CNc1ccccc1 13805705 LVILSLBAZNNJIT-XIYVOTBMSA-N 393.524 3.023 0 1 GGAF Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)NCc3ccccc3)c2)c(C)o1 205233938 XKYCWAUSTRDKQX-UHFFFAOYSA-N 380.448 3.397 0 3 GGAF O=C(NC[C@H](c1ccncc1)N1CCOCC1)c1cccc(Cl)c1Cl 207701993 JZLRFQTYCNCPGE-MRXNPFEDSA-N 380.275 3.192 0 1 GGAF O=C(CN1CCOCC1)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 1857749661 PRLNCXVRIKAQSA-UHFFFAOYSA-N 397.866 3.298 0 1 GGAF CC1(C)OC[C@@H](COC(=O)Cc2ccc3c(c2)OCc2ccccc2C3=O)O1 2000402 MEEAPNCGAKISDY-MRXNPFEDSA-N 382.412 3.047 0 1 GGAF COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2cccnc2)c1OC 101444652 WLWMCLIVTDROGV-QZTJIDSGSA-N 381.476 3.024 0 1 GGAF COc1cc(C[C@@H](C)NCC2CC2)c(OC)cc1I 26016251 DGTQYSIECYTXFX-SNVBAGLBSA-N 375.250 3.239 0 1 GGAF COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@H](OC(C)=O)C2)cc1OC 115041224 RUPYYTQCIFYKNJ-XUVXKRRUSA-N 391.508 3.212 0 1 GGAF Cc1nc2c3c(c(C(=O)N4CCNCC4)cn2c1C)CC[C@H](c1ccccc1)O3 28867251 HPTPVGQQPOAUMI-HXUWFJFHSA-N 390.487 3.063 0 1 GGAF CO[C@@H]1O[C@@]23CC(=O)[C@H]4[C@]5(C)CCC(=O)[C@@]5(C)CC[C@@]41[C@H]2CCC(=O)C3(C)C 2356535464 ALUMZZCQCVEYER-AYNSDBKDSA-N 388.504 3.478 0 1 GGAF CCCN1C(=O)c2cc(OC)c(OC)cc2[C@H]2C(=O)c3cc4c(cc3[C@H]21)OCO4 26500607 RXLALNGXCJOWPX-WOJBJXKFSA-N 395.411 3.320 0 1 GGAF C[C@@H](O)COc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 114337641 IHCQSKFOQWOBBA-UZLBHIALSA-N 380.492 3.399 0 1 GGAF CC(=O)O[C@]12CC=C(C)C=C[C@@]13CC[C@H]2[C@](C)(C=CC=C(C)C(=O)O)OC3=O 2356776107 DMDYDVXEMCPQPC-MQGJPIDWSA-N 386.444 3.494 0 1 GGAF COC(=O)[C@H]1CC2=C(CN1CC1CCCCC1)N(Cc1ccc(OC)cc1)[CH]N2 2356815297 BXTZHNXLKCAIAH-OAQYLSRUSA-N 398.527 3.259 0 1 GGAF COc1cccc(-c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC)c1 14437106 DOFJZUQEIFDUFQ-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic COc1cccc(-c2csc(N3CCC[C@H]3C(=O)NCC(F)(F)F)n2)c1 82195446 LBACASHLZFZGSM-AWEZNQCLSA-N 385.411 3.466 0 1 GGAF COc1cc2nc(N3CCOCC3)nc(NCC3CCCCC3)c2cc1OC 82125184 RXJKHMCZLYPXHF-UHFFFAOYSA-N 386.496 3.476 0 1 GGAF COc1cc(N2CCN(C(=O)Cn3nc(C)c(Cl)c3C)CC2)ccc1Cl 95584375 LCJYLJUHFKSLAO-UHFFFAOYSA-N 397.306 3.164 0 1 GGAF CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC[C@](C)(C(=O)CO)C=C3CC[C@@H]2C(C)(C)[C@H]1O 238789265 XJODMDZLXVNEOR-ZPMJRGBDSA-N 378.509 3.029 0 1 GGAF CN(C)[C@H]1CCN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 144753908 VWZHWGNVDBOXOC-VBKZILBWSA-N 390.405 3.241 0 1 GGAF CCn1nccc1Nc1ccc(S(=O)(=O)NCC2CC2)c(C(F)(F)F)c1 145919840 UZRDXLDLZWWXGO-UHFFFAOYSA-N 388.415 3.354 0 1 GGAF COc1cc(O)c2c(=O)n(-c3cccc(C(=O)N4CCCCC4)c3)ccc2c1 96938023 CVUCKZLRRVRQKD-UHFFFAOYSA-N 378.428 3.331 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ncccc4F)ncc23)ccn1 261155910 PYRUBNCUTVATER-UHFFFAOYSA-N 377.383 3.184 0 1 GGAF CS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587607388 METRAAAFKDFCKM-RXVVDRJESA-N 396.420 3.499 0 1 GGAF CCNC(=O)N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587768146 KTHOGORTELSGHN-LLVKDONJSA-N 384.293 3.143 0 1 GGAF Cc1cc(Cl)cc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c12 587203517 RDMBKFGFPLERMC-OAHLLOKOSA-N 387.823 3.447 0 1 GGAF CCOC(=O)CC[C@]1([C@H](C)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587792303 BMEUHSQETYANJS-VGTOOOLASA-N 388.277 3.042 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@H]3COC[C@@H](C1)N3Cc1ccccc1)O2 587401172 SZYUCOOGZZRBIB-NHJWOMDBSA-N 378.472 3.345 0 1 GGAF CNC(=O)[C@H]1C[C@@H]1c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 587234316 DVZKCUDHKGHPKP-RYUDHWBXSA-N 382.395 3.082 0 1 GGAF Cc1c(Br)cnn1CCC(=O)n1ncc2ccc(Cl)cc2c1=O 587650961 ISNSIWCRCSOWNR-UHFFFAOYSA-N 395.644 3.048 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792732 CPRRMQCJLIBDCY-DYZYQPBXSA-N 386.261 3.250 0 1 GGAF CCOC(=O)CCC[C@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436932 VLMWVXVKGIDXAD-ZHRRBRCNSA-N 381.428 3.467 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@@H](C)C(=O)O)c(OC)c1)[C@@H](C2)C3=O 587441935 VNPHNGGOUXDBEW-YOKVUHJFSA-N 384.384 3.044 0 1 GGAF CCOC(=O)c1nn(C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580071 GYAXXKCKLFRPKH-OXQOHEQNSA-N 394.383 3.005 0 1 GGAF COc1cc(N)c(I)cc1-c1nc2cccc(OC)c2[nH]1 587178893 NVPJBHOIOCTDCN-UHFFFAOYSA-N 395.200 3.434 0 1 GGAF CN1CCN(c2ccc3nc(C4(c5ccc(O)cc5)CCOCC4)[nH]c3c2)CC1 586912807 GUTBUQXNCBPTDG-UHFFFAOYSA-N 392.503 3.117 0 1 GGAF COC(=O)c1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615747 XZXXKIYZJWIEMY-WMLDXEAASA-N 383.381 3.338 0 1 GGAF COc1cc2c(cc1OC)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587522289 FCIVHBQQLAOJFJ-JOCHJYFZSA-N 379.412 3.395 0 1 GGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CC[C@@H](C(=O)O)c3ccccc32)N1 963237768 UGFRDWTXTCRBFA-ZNRXUEPQSA-N 388.423 3.039 0 1 GGAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=N/OCC(=O)O)CC[C@]12O 13808988 NGGOHBDMDYCVEZ-FYASNPDGSA-N 393.524 3.208 0 1 GGAF Cc1ccc(N2CCC3(CC2)c2ccccc2[C@@H](N2CCCCC2)[C@@H]3O)nn1 19743280 PHGWYUQBUXUJBH-YADHBBJMSA-N 378.520 3.225 0 1 GGAF C[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CC[C@]2(CC[C@H](O)C2)OC1=O 169177061 XUWZHNIUAHKYPJ-OHEPNIRZSA-N 382.460 3.239 0 1 GGAF C[C@]12CC[C@H]3[C@@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCOCC1 169714123 KHIHAGSEMMQNCV-XEAGOBSMSA-N 386.536 3.118 0 1 GGAF CN(C)CCCOc1cccc([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1 169726099 XDJQQPBNBLIYAV-OALUTQOASA-N 393.512 3.248 0 1 GGAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@@H](C)c1cnccn1 206070549 LLPGSWBZJMRSKB-LBPRGKRZSA-N 399.458 3.182 0 1 GGAF COc1cc([C@]2(O)CSC(=S)N2Cc2ccccc2)cc(OC)c1OC 1857572237 CBCRBOWAROZUSP-LJQANCHMSA-N 391.514 3.391 0 1 GGAF COC(=O)[C@@H](C)NC(=O)c1cc(-c2cc3cc(Br)ccc3o2)no1 1857591821 RSNMLTJRXHIZQN-MRVPVSSYSA-N 393.193 3.142 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N3CCCCC3)c(C)c2c1 2459846 MZDUZZDFPSQLII-UHFFFAOYSA-N 378.494 3.398 0 1 GGAF O=C(O)CCCSCCN1C(=O)CCC[C@@H]1/C=C/[C@@H](O)CCC1CCC1 3962432 BSDSYBVMXMRPOC-GLMZGONXSA-N 383.554 3.463 0 1 GGAF CCc1nc(NCCc2ccccn2)c2nnn(Cc3ccccc3F)c2n1 4093246 OZDPLNXCDXGQRB-UHFFFAOYSA-N 377.427 3.021 0 3 GGAF NC(=O)c1nnc(N[C@H]2CCCNC2)c2cc(-c3ccc(Cl)cc3)sc12 58649788 OIVCIDIQAWPEAZ-LBPRGKRZSA-N 387.896 3.275 0 1 GGAF in-vitro CN(C)c1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NCC2CCOCC2)O3)cc1 61903201 JWNVIENIXBOGCN-QHCPKHFHSA-N 395.503 3.051 0 3 GGAF CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(C(C)C)n[nH]c2-3)C(=O)O1 28949200 LGJPUVBJWYKYJW-INIZCTEOSA-N 382.464 3.150 0 1 GGAF CCCNC(=O)[C@@]1(C)CCN(CCC(=O)c2ccc(Br)cc2)C1 61908457 QBXOGKDTUBRTFX-SFHVURJKSA-N 381.314 3.260 0 3 GGAF Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCNCC5)c(=O)c2)cn1 115009633 HKQQPHFWOXMUPI-UHFFFAOYSA-N 384.483 3.388 0 1 GGAF Cc1ccc(C(=O)NCN2CCC(c3cccc[n+]3[O-])CC2)cc1C(F)(F)F 38149982 YMVZMGBAIVJFFD-UHFFFAOYSA-N 393.409 3.214 0 1 GGAF COc1ccc(CNc2ncnc3c2ncn3[C@H]2CCCCO2)c(OC)c1OC 40918485 PKYRMSUQQKXWRJ-OAHLLOKOSA-N 399.451 3.163 0 1 GGAF CCCCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cccc(-c2nnn[nH]2)c1 84654657 OHJRRLRVZSBFGS-UHFFFAOYSA-N 393.447 3.361 0 1 GGAF CC(=O)Nc1ccc([C@H]2N[C@H](C(=O)NC3C4CC5CC(C4)CC3C5)CS2)cc1 45370517 JDLWMBRMBRYZKX-FPEHTDJOSA-N 399.560 3.290 0 1 GGAF CC(=O)N1[C@H](CN(C(=O)c2ccc(F)cc2)C(C)C)[C@H](c2ccccc2)[C@@H]1CO 95895897 WDEIHSYLMKRAJI-FSSWDIPSSA-N 398.478 3.052 0 1 GGAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCC(O)CC2)cn1 142657615 WIIOERFDLLICCO-UHFFFAOYSA-N 393.443 3.221 0 1 GGAF NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cc(Cl)ccc1C(F)(F)F 142929727 FWVOSTMZZQGURQ-UHFFFAOYSA-N 381.745 3.492 0 1 GGAF CCCS(=O)(=O)N(C)Cc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N)CC2 142604996 GGRCQDDVIQCLOA-FCHUYYIVSA-N 386.561 3.458 0 1 GGAF COC(=O)[C@@H]1C(=O)C[C@]2(C[C@H]1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587811965 YERYLFOQGBVSMW-HUTXTBKWSA-N 398.272 3.106 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1nc(OC)ccc1Br)[C@@H](C2)C3=O 587413777 QDNAZLSJIRUEFF-DYZYQPBXSA-N 376.206 3.350 0 1 GGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 587229396 APEPBZZQLIIJFN-WDEREUQCSA-N 396.285 3.067 0 1 GGAF N[C@@H](Cc1nc2ccc(C(=O)O)cc2[nH]1)c1ccc(Br)cc1F 587144512 NQDLEALVNVWVNC-LBPRGKRZSA-N 378.201 3.405 0 1 GGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 587229392 APEPBZZQLIIJFN-MNOVXSKESA-N 396.285 3.067 0 1 GGAF CC(=O)C[C@@]1(c2cnn(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587761648 BPGVVOXNEIKPKR-BTDLBPIBSA-N 380.261 3.079 0 1 GGAF COC(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1OC 587175203 QXLKJCOVDVNLLM-CQSZACIVSA-N 382.395 3.221 0 1 GGAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1 587787806 WYTVJMHSSKZNIJ-MOPGFXCFSA-N 391.471 3.339 0 1 GGAF Cc1nc(C(=O)NC[C@H]2CCC3(CCN(C/C=C/C(C)C)CC3)O2)cs1 12181613 LPOCAGSZBGPHKI-LAQIPUCWSA-N 377.554 3.407 0 1 GGAF Cc1nn(C)c2c1N(C)C(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 13743171 HVHQFGZBZADIMT-UHFFFAOYSA-N 399.458 3.258 0 1 GGAF O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(N3CCOCC3)ccc21 1857616454 CQJVVHKLKHJTSE-UHFFFAOYSA-N 395.459 3.012 0 1 GGAF Clc1ccc2nc(N3CCCOCC3)nc(N=c3cc(C4CC4)[nH][nH]3)c2c1 1857631978 JWWHVJJVQQTOPN-UHFFFAOYSA-N 384.871 3.276 0 1 GGAF c1cnc(-c2ccc(CNCCNCc3ccc(-c4ncccn4)cc3)cc2)nc1 210458810 KQSIIKXPYURFEK-UHFFFAOYSA-N 396.498 3.480 0 1 GGAF COc1cccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)COc2ccccc2)c1 866256 XEJDGBMYNLFMQH-GOSISDBHSA-N 394.349 3.070 0 1 GGAF O=C(c1ccco1)N1CCN2C(=O)c3ccncc3[C@@]12c1ccc(Cl)cc1 115091601 SARWHLXTINPDAZ-HXUWFJFHSA-N 379.803 3.141 0 1 GGAF Nc1ccccc1NC(=O)c1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)nc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n1c(=O)c(=C2CCCCC2)s/c1=C/c1sc2ccccc2[n+]1CC 38146417 IGOABACTOIFWHU-UHFFFAOYSA-N 385.578 3.395 0 1 GGAF COc1ccccc1[C@@H]1OC(=O)C[C@@H]1C(=O)OC[C@H]1CCCN2CCCC[C@H]12 2157511 RLQUGMOZSOFTJC-HVSHLEFESA-N 387.476 3.107 0 1 GGAF biogenic NCCCNC(=O)c1cn(CCCc2ccccc2)c2cc(Cl)ccc2c1=O 221289318 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CC(=O)Nc1ccc(Cl)c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 587049955 KMNOHLQVYVXMPN-UHFFFAOYSA-N 392.868 3.092 0 1 GGAF CCOC(=O)c1cc(OCC)n(-c2cnc(C)c(Br)n2)c1OCC 587941370 OISKTOBJVRVGAD-UHFFFAOYSA-N 398.257 3.312 0 1 GGAF Cc1c(C(=O)n2ncc3ccc(Cl)cc3c2=O)cnn1-c1ccc(F)cc1 587651999 SJDGIOFCCGYHSQ-UHFFFAOYSA-N 382.782 3.372 0 1 GGAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc2ncnn12 587585672 GPDHOKSQEGKFLT-UWJYYQICSA-N 388.383 3.015 0 1 GGAF CCOC(=O)C[C@]1(c2ccccc2OCC)NCCc2c(C(=O)O)cccc21 963128976 CFJZMASVTVAXEJ-QFIPXVFZSA-N 383.444 3.126 0 1 GGAF CCCN(CCC)c1nc(N)nc2ncc(-c3ccc(OC)c(OC)c3)nc12 13474477 FXBDFGNLQBBMLM-UHFFFAOYSA-N 382.468 3.313 0 1 GGAF C[C@@H]1CC[C@H]2C(=O)N3CCC[C@H]3C(=O)N2[C@@H]1c1ccc(Br)cc1 13782973 OPKHASDRVSLFHV-MEYUZBJRSA-N 377.282 3.122 0 1 GGAF NC(=S)c1cccc(-c2cn(C[C@H](O)C(F)(F)F)c3cc(CO)ccc23)c1 1857604637 PJRPMXLQGBXPFE-KRWDZBQOSA-N 394.418 3.358 0 1 GGAF CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 772449 PWRDJVUJJWLJRD-WBVHZDCISA-N 376.840 3.160 0 1 GGAF NC(=O)c1c(NC(=O)c2ccc(Br)cc2F)sc2c1CCC2 4070198 YUFPJMKBOAWCNF-UHFFFAOYSA-N 383.242 3.490 0 1 GGAF Cc1nn(-c2ccccc2)c2c1N(CC(=O)N1CCCCCC1)C(=O)CS2 6917394 NSTOCJMNBPSKGX-UHFFFAOYSA-N 384.505 3.022 0 1 GGAF O=c1[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccccc2)c(=O)[nH]1 28707983 IUGIFMBKADQHGI-UHFFFAOYSA-N 375.472 3.113 0 1 GGAF Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3ccsc3)c12 27991566 KWNPVSGFHCCIBC-UHFFFAOYSA-N 390.472 3.234 0 1 GGAF CCC[C@@H](C)N1CCN(C(=O)c2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1 103173553 OCAXSQKHIJNDMJ-OAHLLOKOSA-N 399.560 3.264 0 1 GGAF CCC[C@H]1NC(=O)c2cccnc2-n2c1nc1ccc(Br)cc1c2=O 61921371 ZFAOMJQDMFCLEU-CQSZACIVSA-N 399.248 3.128 0 3 GGAF O=C(O)CCc1cccc2c1CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 28768192 GLGCGDNKOCLHIH-MRXNPFEDSA-N 393.892 3.193 0 1 GGAF CC(=O)OC[C@@H]1[C@H](Cc2ccc3c(c2)OCO3)CO[C@H]1c1ccc2c(c1)OCO2 2356693133 YXTPTAIGIJPTGR-YVHKJVDXSA-N 398.411 3.254 0 1 GGAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2cccs2)O3)c1 61928408 ZTULGOBPAFZQGN-IBGZPJMESA-N 393.468 3.388 0 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COc1ccc(C(=O)C[C@]2(O)C(=O)N(C)c3c(Cl)ccc(Cl)c32)cc1 205723086 GVQHAGOWUURSAR-GOSISDBHSA-N 380.227 3.439 0 1 GGAF Cc1noc(NC(=O)c2ccc(N[C@@H]3CCN(Cc4ccccc4)C3)nn2)c1C 207331034 WNOULPLZUUAXHQ-QGZVFWFLSA-N 392.463 3.020 0 1 GGAF CCCN1C(=O)[C@@H]2C=N[C@@](c3ccccc3)(P(=O)(OCC)OCC)[C@H]2C1=O 1857606395 FLAZLPIQMXSVCP-MDZRGWNJSA-N 392.392 3.201 0 1 GGAF COc1ccc(C2=C(c3cccc(Cl)c3Cl)C(=O)OC2(CO)CO)cc1 1857654301 VVTNPLYUXCIKSF-UHFFFAOYSA-N 395.238 3.193 0 1 GGAF O=C(CCc1ccccc1)N1CCN(Cc2ccc(O)c3ncccc23)CC1 1857757619 VSPSZLOYDSUPBM-UHFFFAOYSA-N 375.472 3.217 0 1 GGAF Cc1cccc(C)c1NC(=O)[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccccc1 3614984 QOCBFOYIOJWETK-HXUWFJFHSA-N 375.428 3.102 0 1 GGAF C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)CNC2CCCC2)cc1 4897812 NUKZAUUKQWHMOA-HZPDHXFCSA-N 393.553 3.109 0 3 GGAF CC(=O)n1ccc2ccc(C(=O)CSc3nnc(-c4cccnc4)n3C)cc21 6357119 PHIVUIPDPYZSHT-UHFFFAOYSA-N 391.456 3.467 0 1 GGAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@]2(O)CCC[C@@H](C)[C@]12C 2356429903 AHVYGDRGQJFXOT-XEOIXYCISA-N 378.465 3.042 0 1 GGAF C[C@H](O)[C@@H](O)c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1 114627538 LMXSTTBJWGBGPF-FKIZINRSSA-N 382.391 3.193 0 1 GGAF CC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccc3c(c2)OCO3)n1 66102022 LAJMEKHFSVFIQO-UHFFFAOYSA-N 377.356 3.226 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4scnc4C)ncc23)ccn1 219745192 OBLIQSODKQBGAS-UHFFFAOYSA-N 379.449 3.415 0 1 GGAF CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2[C@@H]1C(=O)N(CC)CC 72113287 YYMLSQOAPPIEOE-IBGZPJMESA-N 394.471 3.431 0 1 GGAF COc1ccc(Cl)cc1NC(=S)OCCN1C(=O)c2ccccc2C1=O 45498323 ZEYFDYWEDMWSDF-UHFFFAOYSA-N 390.848 3.358 0 1 GGAF COc1cc2nc(N3CCN(C)CC3)nc(NCc3cccs3)c2cc1OC 82119623 WNDROKDFJXDBFA-UHFFFAOYSA-N 399.520 3.072 0 1 GGAF CN(C)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O 49111968 GYGCSLNRCIBNMJ-UHFFFAOYSA-N 378.407 3.017 0 1 GGAF Cc1ncc(-c2ccc(=O)n(C)c2)c(OC[C@H]2C[C@@H]2c2ccc3c(n2)CCC3)n1 222632593 VCFSTVHWILXXMA-MSOLQXFVSA-N 388.471 3.217 0 1 GGAF O=C(OCC(F)(F)F)[C@H]1C[C@H](C(=O)c2ccc(Cl)cc2)N2N=CC=C[C@@H]12 96914600 UEZLMIGFMBWLFR-MELADBBJSA-N 386.757 3.243 0 1 GGAF Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c3cccnc23)cc1 473167249 GXYWIQZGOQGSGE-UHFFFAOYSA-N 383.473 3.181 0 1 GGAF Oc1nncc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 587091783 OEENYVNWWKJLSP-UHFFFAOYSA-N 379.220 3.080 0 1 GGAF O=C1CC2(CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)CN1 587592264 GGBMGDIJOVQFKZ-OSFYOIPJSA-N 379.412 3.173 0 1 GGAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc([C@@H]4C[C@@H]4C(=O)OC)cc3)nc2c1 587785374 NTNAYYYKLLLHTQ-HOTGVXAUSA-N 384.457 3.300 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(CC[C@H]1NC(=O)OCc1ccccc1)[C@@H](C2)C3=O 587432931 NPTMNCINVJVVDI-CECAUBDESA-N 379.412 3.270 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(O)c2C(=O)c2cccc(O)c21 587402964 CZJUCXCBAAHRAG-QHCPKHFHSA-N 387.391 3.442 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Cl)c1)C(O)O 587548625 QBHVTEBGSJCOEC-UWJYYQICSA-N 398.798 3.213 0 1 GGAF COc1cc2c3c(c1)O[C@](C)([C@H]1CN(Cc4ccccc4)CCO1)[C@@H](C2)C3=O 587437868 LTHUNJAAZMTLRX-NOXFTYBFSA-N 379.456 3.102 0 1 GGAF COc1cc2c(cc1OC)[C@@](CC(=O)C(=O)O)(c1ccc(C)cc1)N(C)[C@@H](C)C2 962570133 NKNYJLSFMHRTOT-NPMXOYFQSA-N 397.471 3.176 0 1 GGAF O=C(NCCO)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1 169710653 SWEZABHRXAIWJK-QGZVFWFLSA-N 397.456 3.119 0 1 GGAF CC=C(C)C(=O)O[C@@H]1C[C@H](O)[C@H](O[C@@H](C)CCCCCCC(=O)O)O[C@@H]1C 2356345001 IARVMWOCDIKRTC-TWGXZMITSA-N 386.485 3.191 0 1 GGAF COc1cc(O)c(C(=O)O[C@H](C)CCCC(=O)O)c(C=CCCC(=O)O)c1 2356348931 MCUNKRJPMLTYCD-GFCCVEGCSA-N 380.393 3.079 0 1 GGAF CCCC[C@H](O)[C@@H]1CC[C@H]([C@@H]2CC[C@H]([C@H](O)CCCC3=C[C@@H](C)OC3=O)O2)O1 2356349494 GTIXULIWYDDMNA-ULHUPKOHSA-N 396.524 3.036 0 1 GGAF CCn1c(=O)n([C@@H]2CCN(C[C@H]3CCCC34CC4)C[C@H]2CO)c2ccccc21 58594135 XFNNQEWEJQMALD-IPMKNSEASA-N 383.536 3.259 0 1 GGAF Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N[C@H](C)COCCCc1ccccc1 26397680 XCNLHYDEJHTWRT-XMSQKQJNSA-N 384.520 3.033 0 1 GGAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2C(=O)C2(Cc4ccccc4C2)C[C@@H]3[C@@H]1C5 26578056 RTJUCZCOZIOVDY-GMMXXOHYSA-N 387.479 3.025 0 1 GGAF CC=C(C)C(=O)O[C@@H]1c2cc3ccc(=O)oc3cc2OC(C)(C)[C@@H]1OC(C)=O 2356308027 KSKGUGPVFXWEJL-RTBURBONSA-N 386.400 3.446 0 1 GGAF OC[C@@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl 103176140 JRKSKSQHBDTNPW-KRWDZBQOSA-N 380.231 3.257 0 1 GGAF CCCc1ccc(/C=C/C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)cc1 28009734 KAIRIRDEGZVHEP-DXRVJIQQSA-N 391.431 3.317 0 1 GGAF CN1[C@@H]2C[C@H](OC(=O)C=Cc3ccccc3)[C@@H](Cc3ccccc3)[C@@H]1[C@@H](O)C2 2356486881 HZDNTTWETFPTAB-HZQHDGKWSA-N 377.484 3.308 0 1 GGAF COc1ccc([C@H](C(=O)NCc2ccccc2)N(C=O)Cc2ccco2)cc1 2356816482 DBPLCOMQTNRDOR-OAQYLSRUSA-N 378.428 3.304 0 1 GGAF COCCn1c(-c2cccnc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185616 BTIZBVHYPKYJCV-UHFFFAOYSA-N 378.411 3.286 0 1 GGAF COc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1C(F)(F)F 95593294 STJYEWPPXHZJLU-UHFFFAOYSA-N 391.349 3.142 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)C[C@@H]4CCCO4)ncc23)ccn1 261156438 QBDMWBDEIGCWPX-ZFWWWQNUSA-N 380.452 3.407 0 1 GGAF COc1cc(CCCOC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)ccc1O 653878882 ZFIWQJBCJWCWKH-VQHVLOKHSA-N 388.416 3.313 0 1 GGAF O=C(O)c1ccccc1/C=C/c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586878233 BICKAHPYSRFHSQ-ZHACJKMWSA-N 387.399 3.491 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3cnccn3)c2)N1 587760667 PTGWVPXIYHCLSM-BMLIUANNSA-N 388.244 3.188 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(C=NN(CC(=O)O)c3ccccc31)CC2=O 587490535 XWVUWBFVIWEUPO-OAQYLSRUSA-N 380.400 3.096 0 1 GGAF CCOC(=O)Cn1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578576 RHHVNXINBOAMPU-SIKLNZKXSA-N 393.395 3.460 0 1 GGAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586962575 GOZQBSYQOIEDKH-CYBMUJFWSA-N 378.479 3.014 0 1 GGAF Cc1cc2[nH]c([C@H](C)n3ncc(I)c3C)nc2c(C)n1 587182787 SICAKELRVOPWAT-JTQLQIEISA-N 381.221 3.294 0 1 GGAF Cc1cc(Br)cc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c12 587142369 XERHPUQVARMERP-UHFFFAOYSA-N 384.230 3.087 0 1 GGAF COc1cc2c(cc1OC)[C@@H](c1ccc(F)c(S(C)(=O)=O)c1)N(C)[C@H](C)C2 962568664 LDYPSABKURUGAI-MPBGBICISA-N 393.480 3.212 0 1 GGAF C[C@H](Oc1cccc2cccnc12)C(=O)Nc1ccccc1N1CCOCC1 1772623486 BQJSTKHPGMXBTN-INIZCTEOSA-N 377.444 3.477 0 1 GGAF CC(=O)N1CCCN(Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)CC1 11813966 ALWFIODDBBOZOB-UHFFFAOYSA-N 382.508 3.292 0 3 GGAF CCN(CC)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O 11814901 CBLIMCTYVLUXLG-QHCPKHFHSA-N 378.472 3.239 0 1 GGAF O=C(O)C1=CS[C@@H]2/C(=C\c3cn4c(n3)sc3cc(Cl)ccc34)C(=O)N12 13586480 HXVDRENWBJTNFL-RXTQTKKPSA-N 389.845 3.427 0 1 GGAF CCCc1nc(C(=O)O)c(CO)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13745647 WFYMBLIQUTXBMR-UHFFFAOYSA-N 394.427 3.440 0 1 GGAF CN1C[C@H](Cn2cc(O)[nH]c2=O)C[C@@H]2c3ccc(C(C)(C)C)c4[nH]cc(c34)C[C@H]21 169715795 IBVOBUKSEOTNKH-MZMPZRCHSA-N 394.519 3.321 0 1 GGAF Cc1cc2nc(-c3ccc(SCC(=O)N4CCOCC4)nc3)[nH]c2cc1C 1329627 XSXGAMUNZJYUDB-UHFFFAOYSA-N 382.489 3.193 0 3 GGAF CC(=O)n1cc(Nc2ccc(I)cc2F)c(C(=O)O)c1 53230926 BBYBHDRRGQXNPK-UHFFFAOYSA-N 388.136 3.334 0 1 GGAF CCNC(=O)N1CCC(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)CC1 28896450 AWTKTGLFVCACHC-UHFFFAOYSA-N 399.886 3.051 0 1 GGAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4[C@@H]4CN([C@H]2O4)[C@@H]13 71319282 XLFVQINVOJCHIF-DNGBBIDQSA-N 382.460 3.119 0 1 GGAF NC(=O)c1ccc(N[C@H]2CNCC[C@@H]2c2ccc(Cl)c(F)c2)c2cncnc12 143734343 NSHZNQHXFGNGRZ-XIKOKIGWSA-N 399.857 3.079 0 1 GGAF C[C@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 82207212 DUJLCFGHYXWCHO-JTQLQIEISA-N 395.290 3.001 0 1 GGAF CCCCC/C=C\C/C=C\C[C@@H](O)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 96094947 LVNITLZCNUEXQK-IMVJGQCDSA-O 384.537 3.303 0 1 GGAF in-vitro COc1ccc2c(c1)CCc1c(-c3ccc(OCCN(C)C)cc3)nc(N)nc1-2 96935147 VMNKGGRIISDZAU-UHFFFAOYSA-N 390.487 3.440 0 1 GGAF COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccc(SC)cc2)ccc1=O 25408233 YNBCXEJADITDLL-WBVHZDCISA-N 398.528 3.219 0 1 GGAF biogenic Cn1nc(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2ccccc21 95564776 UVQHVKZQCJNOGO-UHFFFAOYSA-N 376.504 3.258 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587795223 IBELWXCDVROTSX-MGNBDDOMSA-N 398.272 3.250 0 1 GGAF CCOC(=O)c1nnn(-c2c(C)[nH]c3cc(Cl)c(F)cc23)c1C(=O)OCC 587631529 DSUNYFMZXSEDKS-UHFFFAOYSA-N 394.790 3.203 0 1 GGAF COc1cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1OC 587039412 XOOFGAINEKAVMM-JTQLQIEISA-N 399.476 3.328 0 1 GGAF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586906590 DFCDPBNUERRYGZ-VIFPVBQESA-N 398.362 3.437 0 1 GGAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cccc(F)c2[nH]1 586946392 PQDARRSUMNIAPL-CYBMUJFWSA-N 389.452 3.135 0 1 GGAF Cc1csc([C@@](O)(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)C(F)(F)F)n1 587094056 IYVQZOIHEYGDPL-OCCSQVGLSA-N 385.371 3.044 0 1 GGAF COc1ccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2c1 587183181 WGJUCWVNRVRWAU-SECBINFHSA-N 382.205 3.290 0 1 GGAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(CC(=O)OCC)cc2[nH]1)C(C)C 586933185 NJDCYUYPSDCLJL-GOSISDBHSA-N 395.525 3.085 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2C(=O)O)N1 587772756 WDMZFUGHNPDHLZ-XYZCENFISA-N 379.229 3.479 0 1 GGAF COc1ccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(Br)c1 962900229 IFUGPKITELVDQX-GOEBONIOSA-N 380.213 3.285 0 1 GGAF Cc1ccccc1CCN1CCC2(CC1)N[C@H](C(=O)O)Cc1cccc(F)c12 962915901 WAVOEKYTRLNLHG-FQEVSTJZSA-N 382.479 3.267 0 1 GGAF Cc1cc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c(C)n1C[C@H]1CCCO1 962927196 DZTBOJCJAJRNDW-DENIHFKCSA-N 381.520 3.221 0 1 GGAF Cc1noc(C)c1-c1ccc2c(c1)[C@](NC[C@H](C)O)(c1ccccc1)C(=O)N2 1772621713 PPMWZCIDGVNNEH-WHEQGISXSA-N 377.444 3.125 0 1 GGAF CCN(C)C(=O)Oc1cccc(CCNC(=O)/C=C/c2ccc(O)c(OC)c2)c1 1772593788 GJLZZFMOTYNFTR-PKNBQFBNSA-N 398.459 3.223 0 1 GGAF CCNc1n[nH]c2cc(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)ncc12 1772624493 UZDJMBVYGMDPGV-FUHWJXTLSA-N 380.452 3.432 0 1 GGAF CCCCn1c(=O)n(C[C@@H](O)c2ccccc2)c(=O)c2c1ncn2C1CCCC1 13152670 WZQGJYPJXKOBJV-GOSISDBHSA-N 396.491 3.009 0 3 GGAF O=C(c1ccccn1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21 13745272 UDOBVGZSMYCLPD-UHFFFAOYSA-N 384.399 3.355 0 1 GGAF CC(C)(C)OC(=O)NCCCC(=O)N1CCN(CCCc2ccccc2)CC1 13782179 DLYIENCMFCRKMN-UHFFFAOYSA-N 389.540 3.068 0 1 GGAF CC=C(C)C=CC(=O)N[C@H](C(=O)O[C@H](C)[C@@H](C)C(=O)O)[C@H](C)c1ccccc1 2356400286 VVPVXDHEFAYPAR-VIPLHTEESA-N 387.476 3.450 0 1 GGAF COc1ccc([C@@]23OC[C@]24[C@H]2[C@H](OC[C@H]24)c2cc(OC)c(OC)cc23)cc1OC 100767212 QNMXTGTWSBDJKC-ROJNSIPKSA-N 396.439 3.312 0 1 GGAF COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2Cl)ccc1O 28526714 DQDPFZCIXPELDU-KRWDZBQOSA-N 387.823 3.321 0 1 GGAF CC(C)(C)c1ccc(COc2ccc(CC[C@@]3(C(N)=O)COC(=O)N3)cc2)cc1 73224742 ZMSSVBZIPRFESG-QHCPKHFHSA-N 396.487 3.460 0 1 GGAF CCOP(=O)(OCC)[C@@H]1C[C@H](n2cc(-c3ccccc3F)nn2)ON1C 73199865 RMGJYBMGBKUCQI-HZPDHXFCSA-N 384.348 3.442 0 1 GGAF CCOC(=O)c1[nH]c2c(Cl)cccc2c1S(=O)(=O)c1ccccc1N 40390947 JJIXGIDGNWLCSI-UHFFFAOYSA-N 378.837 3.413 0 1 GGAF Cc1ncc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c(C)c1Br 586979809 VXNVKIPBHSFJHS-UHFFFAOYSA-N 380.267 3.408 0 1 GGAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 586940766 FPVVEDYNABQJNS-SREVYHEPSA-N 381.379 3.379 0 1 GGAF CC(=O)NC1(c2nc3cc(I)cnc3[nH]2)CCC(C)CC1 587234669 STDHBHFYVFLFGD-UHFFFAOYSA-N 398.248 3.104 0 1 GGAF Cc1ccncc1[C@@]1(C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963137793 GJMVURPKNJPPTJ-LIRRHRJNSA-N 389.477 3.356 0 1 GGAF CC[C@@]1(c2cn[nH]c2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962924245 WTGGIHVYOAKSFD-FPOVZHCZSA-N 379.416 3.160 0 1 GGAF Cc1cc(N2CCC[C@H](C(=O)Nc3ccc4ccccc4c3)C2)n2ncnc2n1 1772617777 KSNJADIQOHDVML-SFHVURJKSA-N 386.459 3.441 0 1 GGAF O=S(=O)(Cc1ccccc1)NC[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 12431731 KREQDQLVUJHFTE-SFHVURJKSA-N 394.487 3.296 0 3 GGAF COc1ccc([C@@H](NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)c2ccccc2)cc1 13151428 VXINVOKFVSDVTO-ZZEDZQHJSA-N 377.440 3.424 0 1 GGAF C=Cc1cc(OC2CCOCC2)cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 14953258 HHOFEOWBKYQOPC-HXUWFJFHSA-N 395.459 3.409 0 1 GGAF O=C(CN1Cc2ccccc2O[C@H](c2ccsc2)C1)NCc1cccnc1 14973416 IKKACGJUZKEWRD-FQEVSTJZSA-N 379.485 3.395 0 1 GGAF CCCC[C@H]1COCCS(=O)(=O)N1Cc1ccc(Br)cc1 15934990 HWDWEXLCXGJDKH-HNNXBMFYSA-N 376.316 3.170 0 3 GGAF CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cccc(F)c4o3)n2n1 205063262 QDKVKRYEGGLKQC-UHFFFAOYSA-N 389.408 3.095 0 1 GGAF COC[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O 1857541426 CAXQLHIXVZVOAJ-QFIPXVFZSA-N 394.515 3.142 0 1 GGAF CCOc1cc(F)ccc1-c1cc(NS(=O)(=O)CC)c2nnc(C)n2c1 1857563561 RJEQZJXSENTLNL-UHFFFAOYSA-N 378.429 3.004 0 1 GGAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4215399 VJOFKDRWNYBCIW-JBACZVJFSA-N 385.508 3.438 0 1 GGAF CC(=O)OCC(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C 7997837 QRJOQYLXZPQQMX-PGZXUAASSA-N 390.520 3.317 0 1 GGAF CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1 28571353 VLPUPQGQROBWIQ-QGZVFWFLSA-N 381.538 3.294 0 1 GGAF COc1cc(C(=O)c2cn(-c3cnc4ccccc4c3)nn2)cc(OC)c1OC 66259253 XHSHYNSPPXJUTN-UHFFFAOYSA-N 390.399 3.072 0 1 GGAF Cc1c(C(N)=O)sc2ncnc(Nc3cccnc3OC[C@@H]3CC3(F)F)c12 118819446 APRGAAGUEPOUHQ-VIFPVBQESA-N 391.403 3.271 0 1 GGAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(C(C)=O)cc1 2356536286 IAIXIPGZOLXHSE-QKNQBKEWSA-N 386.540 3.063 0 1 GGAF CCCC[C@](C)(O)C/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)CO 27765572 KDTHGDDWZLKYMK-PZPLZQIISA-N 380.525 3.118 0 1 GGAF CC(C)(OC(=O)C(=O)c1ccc(O)cc1)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 14587239 RNTJDJDUXWVMJY-SFHVURJKSA-N 394.379 3.007 0 1 GGAF biogenic COc1ccc(C[C@@H]2CO[C@H](O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC 14642324 YSJWRVMJZYIPHE-YVHKJVDXSA-N 388.460 3.087 0 1 GGAF biogenic CC(C)CNc1ncnc2c1nc(-c1cccnc1)n2CC[C@@H]1CCCN1C 82177927 KXCYTEVYKXBKIE-KRWDZBQOSA-N 379.512 3.441 0 1 GGAF CNc1nc(N2CCN(c3ccccc3F)CC2)nc2cc(OC)c(OC)cc12 82132096 KSEVVNKKPWVKFU-UHFFFAOYSA-N 397.454 3.154 0 1 GGAF Cc1ccccc1C(=O)NCCN1CCC(n2c(O)nc3ccccc32)CC1 95598505 LSMAVLLNXJWCPQ-UHFFFAOYSA-N 378.476 3.117 0 3 GGAF COC(=O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592797 KNLKJDFCXPTGJG-PGRDOPGGSA-N 376.364 3.422 0 1 GGAF CCOC(=O)[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587797988 NIZNRAPRTQJDKJ-GOGLXCQPSA-N 386.261 3.106 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)c1ncc[nH]1 587588981 MLAFXANWIMIBDG-PGRDOPGGSA-N 385.379 3.416 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2ccn(C)n2)N1 587764149 ONYKCJIXVDRXIW-BACITOSSSA-N 393.304 3.175 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCC(N)=O)c2)N1 587750919 VJSGBVJWAMBBTF-MLCYQJTMSA-N 393.256 3.076 0 1 GGAF Oc1nc(NCc2ccccc2)c2nc(-c3n[nH]c4c(F)cccc34)nc-2[nH]1 587176278 JJOOFEGJXCZHPA-UHFFFAOYSA-N 375.367 3.305 0 1 GGAF Cn1ccc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1 962923101 MCTGKXWHRHWBOF-UNMCSNQZSA-N 378.428 3.385 0 1 GGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](c2cc(F)cc(F)c2)(c2ccccn2)N1 962906432 YEBCXJFQUZUUJX-RXVVDRJESA-N 384.357 3.390 0 1 GGAF C[C@H]1CCCC(=O)CCC/C=C/c2cc(OS(=O)(=O)O)cc(O)c2C(=O)O1 6037481 GQAJNGUAQKYPCH-QBODLPLBSA-N 398.433 3.056 0 1 GGAF endogenous,in-man CCN(CC)c1ccc(N[C@H]2CC(=O)N(CCc3ccc(OC)cc3)C2=O)cc1 5888356 FRRFLGJTMMANGA-NRFANRHFSA-N 395.503 3.324 0 3 GGAF COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3ccsc3)C2)CC1 15064294 DEXTXPMNSUITCZ-GOSISDBHSA-N 385.533 3.184 0 3 GGAF COCCOc1ccc(-c2ccc(COc3ncccc3C(N)=O)nc2)c(C)c1 169348928 ZOZHCPUMKKIUBK-UHFFFAOYSA-N 393.443 3.155 0 1 GGAF CCOC(=O)[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 169695416 NHFDXXPQLBEGNA-DLBZAZTESA-N 399.468 3.104 0 1 GGAF CC1=N[C@]2(C[C@@H]([C@@H]3CCCOC3)Oc3ccc(Br)cc32)N=C1N 169708640 ONKRKKQEVGYQDK-XQAQDONZSA-N 378.270 3.011 0 1 GGAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1ccccc1-n1ccnc1 169714442 LJWDTXDPMYOFDR-UYAOXDASSA-N 395.459 3.447 0 1 GGAF COC(=O)c1ccc(N)c(-c2nc3ccccc3n(Cc3ccccc3)c2=O)c1 1857743979 AELDTJOZHOPUPA-UHFFFAOYSA-N 385.423 3.481 0 1 GGAF COC(=O)c1cc2c3c(ccc2[nH]1)OC[C@H](CNCCCc1ccccc1)O3 1554870 NBCYJDUUVPJJKY-INIZCTEOSA-N 380.444 3.317 0 1 GGAF CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCCCN(C)c2ccccc2)cc1 2465514 WKOZLWQQINIGOY-QHCPKHFHSA-N 394.519 3.136 0 1 GGAF CN(C)c1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(Cc3cccs3)c2n1 4238536 KFXPWWLDCOYLCH-UHFFFAOYSA-N 399.426 3.308 0 1 GGAF COc1ccccc1COC(=O)[C@@H]1C=NN2c3cc(Cl)ccc3[N+]([O-])=N[C@H]12 100930766 AQKFCEWRKDXGMK-DYVFJYSZSA-N 386.795 3.448 0 1 GGAF C[C@@H]1CCCC[C@H]1NC(=O)NCCOc1nnc(C2CC2)n1-c1ccccc1 1911584076 HRXYOIQACQDULT-CRAIPNDOSA-N 383.496 3.401 0 1 GGAF CCN1C(=O)c2ncn(Cc3ccccc3)c2N2C[C@@H](Cc3ccccc3)N=C12 28523564 IAUFMLLGVBENTI-LJQANCHMSA-N 385.471 3.194 0 1 GGAF Fc1ccc2nc(CO[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]3F)[nH]c2c1 2356698427 VQSHQACHEFSSJN-AUUYWEPGSA-N 387.386 3.170 0 1 GGAF CC(C)(C)C(=O)N1CCN2[C@@H](CN(C(=O)c3ccc(Cl)cc3)CC2(C)C)C1 2356741740 OFLMLNWFKGSKIN-QGZVFWFLSA-N 391.943 3.133 0 1 GGAF CCOCCc1ccc(OCCNC(=O)c2c(Cl)c(CC)nn2C)c(C)c1 34425035 LKLXKLCCOVSCDG-UHFFFAOYSA-N 393.915 3.332 0 1 GGAF CC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@H]1N=C(Cc2ccccc2)O[C@@H]1c1ccccc1 72113065 BPHNGNKHJCVNOT-IITNATTFSA-N 391.423 3.181 0 1 GGAF Cc1cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)c(Cl)s1 72183505 ZWXIWSLPGZVVNP-IBGZPJMESA-N 397.891 3.197 0 1 GGAF Cc1cccc(C2=C[C@H](c3ccccc3)N3N=C(S(N)(=O)=O)SC3=N2)c1 72180673 SMMUTRZZFCZDTE-MRXNPFEDSA-N 384.486 3.055 0 1 GGAF C[C@H](NC1=NC(=O)[C@@](C)(c2ccc(CCC(N)=O)cc2)S1)c1ccc(F)cc1 40393182 KCQNICPFVADGBN-YEJXKQKISA-N 399.491 3.439 0 1 GGAF CCCc1nc2c(NCc3ccccc3)ncnc2n1CCCN1CCCC1=O 82178670 WNLMICJKBFTAOY-UHFFFAOYSA-N 392.507 3.403 0 1 GGAF c1cc(-c2cncc(NCC3CCOCC3)n2)c2cc(C3CCNCC3)[nH]c2n1 226077619 RKTGOYMPJKRJCI-UHFFFAOYSA-N 392.507 3.325 0 1 GGAF CC(C)CNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2 82209442 DSRPOEQAFPYGIE-QGZVFWFLSA-N 396.516 3.203 0 1 GGAF CC(C)(CNC(=O)c1nc(C#N)c2cc(-c3ccccc3)ccc2c1O)C(=O)O 146743424 JYCKALTXSDGLRG-UHFFFAOYSA-N 389.411 3.320 0 1 GGAF O=C(c1ccncc1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cccs2)ccc1=O 25431335 LHWJWNXSSJMLRF-ZBFHGGJFSA-N 377.469 3.231 0 1 GGAF biogenic Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc3cccnc23)c(C)c1 95552235 MREWWHVDKKFFDF-OAHLLOKOSA-N 383.473 3.157 0 1 GGAF Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1CCc1ccccc1F 95569274 AASPJAGCVJKBOU-QFIPXVFZSA-N 393.466 3.499 0 3 GGAF CN1C[C@]2(C)CCC[C@@]34[C@@H]5C[C@@H]6CC[C@]5([C@H](O)[C@]65COC(C)(C)O5)[C@@H](C[C@@H]32)[C@@H]14 255279881 XBHGTUAZBZBUQB-MZVSVPQASA-N 387.564 3.426 0 1 GGAF CN(CCc1c(-c2ccccc2)[nH]c2ccccc12)CC(=O)N1CCOCC1 473153441 BMRHNVJLVLCNEE-UHFFFAOYSA-N 377.488 3.168 0 1 GGAF COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c(N)cc1O 299820239 CKGRPOQFYXSXGV-UHFFFAOYSA-N 377.400 3.488 0 1 GGAF CN1CCC[C@H]1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 653691123 YISYTKMEACCBNN-KRWDZBQOSA-N 383.835 3.173 0 1 GGAF O=C(O)c1[nH]nc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554236 WMKCTRFQJXPYOB-MLGOLLRUSA-N 386.747 3.170 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)Cc1ccc(F)cc1 587569391 IMAFXSGTSUYYJZ-DENIHFKCSA-N 380.371 3.467 0 1 GGAF COc1ccc2c(C)c(CCc3nc4cncc(OC)c4[nH]3)c(=O)oc2c1C 586917394 AYGGOFSYTAAFAF-UHFFFAOYSA-N 379.416 3.484 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CS(=O)(=O)C2)N1 587844754 OWDFVHHYOUGEMR-MGPLVRAMSA-N 390.318 3.162 0 1 GGAF NS(=O)(=O)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587242802 SDDPNGPPFJXZQP-UHFFFAOYSA-N 380.429 3.327 0 1 GGAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 586946623 NCBVXLXDVCVNKU-UHFFFAOYSA-N 383.395 3.275 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(F)ccc(Br)c21 587387759 WLKGAEUZVPXKRD-KRWDZBQOSA-N 391.196 3.292 0 1 GGAF COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587586503 IQXZEBJVBIQONQ-FXAWDEMLSA-N 377.352 3.277 0 1 GGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586916609 MWKWZEGMRJJONC-AOMKIAJQSA-N 377.444 3.481 0 1 GGAF COC(=O)[C@H](C)Oc1c(Cl)cc([C@@H]2NCCc3c(C)ccnc32)cc1OC 963070127 FDIVLBVDJSILTP-SJCJKPOMSA-N 390.867 3.227 0 1 GGAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3c[nH]nc3C(F)(F)F)N12 962658868 DYQMQIPFZAGXBX-KBXCAEBGSA-N 390.365 3.165 0 1 GGAF Cc1cc2c(cc1O)[C@@](c1ccc(F)cc1)(c1ccccn1)N[C@H](C(=O)O)C2 963553078 RJDCNCOYKCUZBB-AVRDEDQJSA-N 378.403 3.126 0 1 GGAF O=C(O)[C@@H]1Cc2cccc(F)c2C2(CCN(CCc3ccc(F)cc3)CC2)N1 962905027 WJTSQGCGRNLLML-IBGZPJMESA-N 386.442 3.098 0 1 GGAF COc1ccc(CCNc2cc(-c3ccccc3OC)nc3ncnn23)cc1 1772586467 ZRMLRRDPZZPYOA-UHFFFAOYSA-N 375.432 3.463 0 1 GGAF CCOC(=O)c1cc(-c2ccccc2)nn1C[C@@H]1CC(c2cccnc2)=NO1 12489598 MCLFFVLZWYCOAG-KRWDZBQOSA-N 376.416 3.315 0 3 GGAF CCCC[C@H](NC(=O)OCC1(CC)CCCC1)C(=O)C(=O)Nc1cc[nH]n1 13583785 BEUAOGBHKDQGGZ-AWEZNQCLSA-N 378.473 3.173 0 1 GGAF CN1C(=O)[C@@H]([C@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)c2ccccc21 169490085 BGIKYDQVZJXXMV-URXFXBBRSA-N 384.435 3.181 0 3 GGAF Cc1nc2ccccc2c(=O)n1-c1ccc(NS(=O)(=O)c2ccccc2)cc1 4270382 GDSXFKXWZLVHSG-UHFFFAOYSA-N 391.452 3.495 0 3 GGAF O=C(O)CCc1cccc2c1CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 28768190 GLGCGDNKOCLHIH-INIZCTEOSA-N 393.892 3.193 0 1 GGAF Cc1ccc2cc(Cn3cc(C(=O)NCc4ccc(N)nc4C)cn3)ccc2n1 114078582 ATRKABUPNXFPKF-UHFFFAOYSA-N 386.459 3.004 0 1 GGAF COc1cc2c(cc1OC)[C@]13CCN4CCC[C@]5(CCO[C@@]415)CC[C@@H]3N2C(C)=O 2356533705 PWOCPVXCFAKUOV-GSPCLOLRSA-N 398.503 3.073 0 1 GGAF O=C(O)C[C@H]1CCN(C(=O)C2CCCCC2)C[C@H]1Cc1nc2cnccc2[nH]1 2356673200 IJBMEIBYZUCHEZ-HZPDHXFCSA-N 384.480 3.020 0 1 GGAF O=C(N1CCCCC1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72102129 GZBUQSAUJLJQKM-FQEVSTJZSA-N 399.926 3.443 0 1 GGAF Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1N1CCC2(CCNCC2)C1=O 140589641 FWDIGXJMBTVNDB-CTNGQTDRSA-N 396.579 3.165 0 1 GGAF CN(C)CCCOc1ccc(Nc2cc(-n3cnc4ccccc43)ncn2)nc1 98208783 VKUXBRRQHBTQPW-UHFFFAOYSA-N 389.463 3.285 0 1 GGAF in-vitro C[C@@H]1CN(c2cccc(F)n2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 473084304 GHEHJUABDKEKSE-LLVKDONJSA-N 387.802 3.266 0 1 GGAF O=c1cc(CO)oc([C@H]2C=C(c3ccc4c(c3)OCO4)Oc3ccccc32)c1O 299856793 CDHYKACQUOFWRP-HNNXBMFYSA-N 392.363 3.132 0 1 GGAF CCOC(=O)Cc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586966396 CYIWXENRUSESLH-UHFFFAOYSA-N 395.444 3.406 0 1 GGAF COc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)n1 587771716 CLYSDJRISOHVPZ-RMLUDKJBSA-N 382.233 3.019 0 1 GGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 586940767 FPVVEDYNABQJNS-VOTSOKGWSA-N 381.379 3.379 0 1 GGAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 587244414 HIKGLUQDDVXZIE-IBGZPJMESA-N 390.403 3.426 0 1 GGAF COc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cn1 587119549 XZEMZMWPGHMWIN-UHFFFAOYSA-N 390.163 3.187 0 1 GGAF COC(=O)c1ccnc2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc12 587171924 AWDHQGUUGDMGHZ-UHFFFAOYSA-N 396.353 3.340 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(N1CCOCC1)CC2 587592070 HMDDZIXMWLFXTR-UKAYHFCDSA-N 395.455 3.367 0 1 GGAF COc1ccc([C@@]2(CO)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587805916 GQLRWYHKIYFSLQ-BBATYDOGSA-N 380.257 3.367 0 1 GGAF O=C(O)c1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1F 587007832 SMXQGENUDGVGMB-UHFFFAOYSA-N 375.157 3.477 0 1 GGAF Cc1nn(C)c(N(C)C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587756437 LARBXYDEMSZRAX-FVMDXXJSSA-N 381.293 3.320 0 1 GGAF CCOC(=O)C(=O)[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586989637 NJSHXNLQMDWUOH-AWEZNQCLSA-N 387.391 3.314 0 1 GGAF COC(=O)c1csc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587850752 FJEOUMGSTCEENA-UHLUBPPHSA-N 385.258 3.455 0 1 GGAF CCCCS(=O)(=O)N[C@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)C(C)C 586933366 QFYAZMVLBPZQNO-KRWDZBQOSA-N 393.488 3.304 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC[C@H]2CC(C(N)=O)C1 587750965 VPMLAZMAKYXYBY-TXPMXQDWSA-N 381.289 3.239 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](O)c3cccc(N)c32)N1 587748777 YKDLSNKFMMBACK-MTHQLEKQSA-N 377.257 3.385 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Br)cc(C)cc21 587373380 UQXOOEVHPWGMGV-SFHVURJKSA-N 387.233 3.461 0 1 GGAF O=C([C@@H]1Cc2ccccc2[C@@H](c2cnc3[nH]ncc3c2Cl)N1)C(F)(F)F 962760629 GMKZBMPSHNOLLQ-JSGCOSHPSA-N 380.757 3.346 0 1 GGAF Cc1nn(C(=O)c2ccccc2O)c2c1[C@@H](c1ccc(O)cc1)SC(N)=N2 17222181 BBTFCDQMNLYHNV-MRXNPFEDSA-N 380.429 3.074 0 1 GGAF C[C@@](CCCCC(=O)O)(NCc1cccs1)c1nnnn1Cc1ccccc1 205857360 KUSSPHPAIXICBD-FQEVSTJZSA-N 399.520 3.433 0 3 GGAF CCOC(=O)OCCOCCN[C@@]1(c2ccccc2Cl)CCCCC1=O 1857548933 YLOZTXWBNYDKDL-LJQANCHMSA-N 383.872 3.458 0 1 GGAF CCOc1ccc2cc(-c3nn(CC(C)(C)O)c4ncnc(N)c34)ccc2c1 1857561032 DFAIFCZBGLIDKI-UHFFFAOYSA-N 377.448 3.398 0 1 GGAF CCOc1ccc2c(c1)sc1[n+]2=C(C)[CH-]/C(=C/c2oc3ccccc3[n+]2C)N=1 53669178 UUWLZLDGIJKDJZ-UHFFFAOYSA-N 390.488 3.437 0 1 GGAF CCn1c(-c2ccc(F)cc2F)cs/c1=N/c1ccc(S(N)(=O)=O)cc1 1911579126 IJXSYBUPEOCYHZ-HEHNFIMWSA-N 395.456 3.395 0 1 GGAF CCOC(=O)c1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@H](C)CNC4=O)c1 28902072 LHXHLXVGEPJZDV-GFCCVEGCSA-N 391.427 3.444 0 1 GGAF O=c1[nH]c(=O)n(CCCCN2CC=C(c3ccccc3)CC2)c2ccccc12 62233100 HWAMZZDVCNUNNL-UHFFFAOYSA-N 375.472 3.259 0 1 GGAF O[C@H](CCN1CCN(c2ccc(F)cc2)CC1)COc1ccc(Cl)cc1 29482344 NJQXYNMDTIVKQQ-LJQANCHMSA-N 378.875 3.431 0 1 GGAF NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 28897053 JZYNWHRFWFSKBO-UHFFFAOYSA-N 388.452 3.276 0 1 GGAF Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1O 72128516 HFVPKBNDNRVBHU-UHFFFAOYSA-N 397.378 3.220 0 1 GGAF CCCCCC(=O)NCCCNCCC[C@@H](O)CC(=O)c1c(C)cccc1O 14649840 KZEDRVJROQHIMY-GOSISDBHSA-N 392.540 3.091 0 1 GGAF biogenic CCC[C@H]1C[C@H](OCC)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40914940 VDLXNDODVYULCA-HOCLYGCPSA-N 380.876 3.481 0 1 GGAF CCOC(=O)N1[C@H]2CC[C@@H]1CC(N1CCC[C@H](NC(=O)c3ccccc3C)C1)C2 84615468 AJSHPFXXSLQSKN-GURQWTFNSA-N 399.535 3.341 0 1 GGAF Cc1ncsc1[C@H](NC(=O)OCC1(CO[N+](=O)[O-])CC1)c1ccccc1 95552355 XVINMFRMVVHHCK-CQSZACIVSA-N 377.422 3.256 0 1 GGAF CC(C)(CO)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1 95563072 TWTWHRSEPRILHV-UHFFFAOYSA-N 375.432 3.042 0 1 GGAF O=C(Nc1ccccc1)c1ccc(CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 253761603 XZZJIUFSZHCKSM-KKFDQILXSA-N 398.462 3.492 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cnc(C)s4)ncc23)ccn1 261153284 PIKHQMQIWOBTKH-UHFFFAOYSA-N 379.449 3.415 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H](C)CN(C)C 299883209 QYEQWAMLFYUAEE-BSLALVQMSA-N 395.503 3.243 0 1 GGAF CCOC(=O)c1ccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 587093380 DCIXBMATEPLRRL-MRXNPFEDSA-N 399.394 3.497 0 1 GGAF Cc1c(-c2nc3c(S)nc(S)nc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587028932 CAKJHWICXSRCPR-UHFFFAOYSA-N 388.503 3.080 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1c[nH]ccc1=NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433604 SLYFITGRJANGOG-DJJJIMSYSA-N 382.416 3.348 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)OC(C)(C)C2)N1 587829333 BSZVEKGQHAYGMZ-XLFHBGCDSA-N 384.245 3.485 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCN1CCCC1=O)O2 587395932 PHSXUSDYWWKGMU-HXUWFJFHSA-N 380.444 3.285 0 1 GGAF Cc1[nH]c([C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)c1C(=O)O 962957559 BXTFRXRBRGAZTL-VOJFVSQTSA-N 398.793 3.124 0 1 GGAF COC(=O)CC[C@]1(C(C)C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962721732 WHXMEVWBXVQLSX-RHSMWYFYSA-N 391.361 3.248 0 1 GGAF COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@](C)(C(=O)OC)C1 13744997 GVLQLBNMZUZFAS-HRAATJIYSA-N 391.464 3.362 0 1 GGAF COc1cc(OC)cc(-c2nnc3n2N=C(c2ccccc2OC)CS3)c1 13828713 QCILFWGXWKRHMR-UHFFFAOYSA-N 382.445 3.329 0 1 GGAF C[C@@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)C1CC1 169704210 HRNZKBRSPYYSBU-FZKQIMNGSA-N 394.454 3.133 0 1 GGAF O=C(NCc1ccco1)c1cnc(N2CCN(Cc3ccccc3)C2=O)s1 205231208 RBQXONLTMYYTIO-UHFFFAOYSA-N 382.445 3.108 0 3 GGAF C/C=C(\C)C(=O)O[C@H]1CC[C@@](C)([C@H]2CCC(C)=C[C@@H]2O)O[C@@]1(C)COC(C)=O 205254349 XMZLIYKXYUUFPG-QWHGQLIOSA-N 394.508 3.473 0 1 GGAF CCCN1C(=O)[C@@H]2C=N[C@](c3ccccc3)(P(=O)(OCC)OCC)[C@@H]2C1=O 1857606394 FLAZLPIQMXSVCP-JTDSTZFVSA-N 392.392 3.201 0 1 GGAF CC[C@@H](C(=O)N[C@H](C)CCc1ccco1)n1nc(C)n2c(cc3occc32)c1=O 4101706 LVPZABFKBVHVAB-CJNGLKHVSA-N 396.447 3.232 0 3 GGAF CN(C(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1)C1CCCCC1 4659945 FBGWVNGNKQBDDE-VZJWBNGJSA-N 378.472 3.403 0 1 GGAF O=c1c2ccccc2sn1-c1ccc(S(=O)(=O)Nc2ccccn2)cc1 27990328 OVVYRRPOAOETKD-UHFFFAOYSA-N 383.454 3.248 0 1 GGAF COc1ccc(C=C2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCCO3)cc1OC 2356574394 YNVZSDKDLGZWAV-INIZCTEOSA-N 382.412 3.274 0 1 GGAF CC1=C[C@H](CNS(=O)(=O)c2cccc(F)c2)[C@H](C(C)C)C[C@H]1CC(=O)O 2356588963 NPMVUALGCXVVIK-DAYGRLMNSA-N 383.485 3.433 0 1 GGAF Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 27848632 UDURNHDRCUMUOV-UHFFFAOYSA-N 375.428 3.056 0 1 GGAF O=C(Nc1ccccc1)[C@@H]1CN2CC[C@H]1C[C@H]2Cn1cc(C2=CCCC2)nn1 2356827262 HOVHQBASUQIYSJ-YSIASYRMSA-N 377.492 3.195 0 1 GGAF COc1cc(NC(=O)Nc2nc([C@@H](N)C(C)C)cs2)cc(OC)c1OC 61903582 MMKMLJUCQUYGOA-AWEZNQCLSA-N 380.470 3.469 0 3 GGAF CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)[C@H](c2cccc(O)c2F)CC(=O)N1 34517305 HKYUJLPENAUVER-LBPRGKRZSA-N 398.369 3.063 0 1 GGAF CC[C@@H]1[C@H]2CCCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)C[C@@H]([C@H]23)[C@@H]2[C@H](C)C(=O)O[C@H]12 70454826 GYOGHROCTSEKDY-MPIQXJQFSA-N 375.509 3.015 0 1 GGAF biogenic,in-vitro COc1cc(Cl)nc(NC(=S)NC(=O)c2ccc(Cl)cc2F)n1 35016113 AEKULRJZMUXJPW-UHFFFAOYSA-N 375.212 3.058 0 1 GGAF CC(=O)O[C@@H]1[C@H](OC(=O)C=C(C)C)c2cc3ccc(=O)oc3cc2OC1(C)C 13459334 NTNWNWWOOBBSQA-WOJBJXKFSA-N 386.400 3.446 0 1 GGAF biogenic COCCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1 49069677 GTHUMUPRQVNRAE-UHFFFAOYSA-N 378.432 3.149 0 1 GGAF CC[C@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82207607 FDZQQCFNVIVOHI-SFHVURJKSA-N 394.450 3.014 0 1 GGAF CCN(CCOC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12 40898428 MQAKOJWVEASQLW-UHFFFAOYSA-N 399.495 3.206 0 1 GGAF CN1CCCN(c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1 49111146 IDJNGOYBTYPVDN-UHFFFAOYSA-N 385.471 3.079 0 1 GGAF Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCC3)[nH]c12 222322115 QPBAOYYQAFJBRZ-UHFFFAOYSA-N 387.447 3.256 0 1 GGAF C/C=C/c1ccc([C@H]2[C@@H](CNC(C)C)N(C(=O)c3ccccn3)[C@H]2CO)cc1 95895556 BMRHAQINMAYJOM-DXQGVRHBSA-N 379.504 3.082 0 1 GGAF O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OC[C@H]2C[C@@H]3C[C@@H]3C2)cc1F 261181912 WGLCINFFVGFEJW-JGPRNRPPSA-N 387.860 3.126 0 1 GGAF CN1CCOc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc21 587585117 CKQMRMKWFRWETI-GHTZIAJQSA-N 390.395 3.319 0 1 GGAF COc1ccc2c(c1)NC(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587793271 NDQDXRXUBUWYIX-DYBLOJMWSA-N 391.240 3.327 0 1 GGAF CS(=O)(=O)c1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 586925580 HNLJHBQHXJPCQB-UHFFFAOYSA-N 376.747 3.047 0 1 GGAF CC(C)(C)OC(=O)N1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581640 INHIQHGYHBAFFZ-MRXNPFEDSA-N 383.400 3.343 0 1 GGAF COc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1F 587276922 XETXEQWLYGQPHI-UHFFFAOYSA-N 380.169 3.461 0 1 GGAF COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCC(=O)O 587400217 LUENFMWGOGRFDS-OAQYLSRUSA-N 385.416 3.320 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)N(C)C)CC2)N1 587769296 OIGMJVINYKFUIG-LLVKDONJSA-N 384.293 3.095 0 1 GGAF CCOC(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597978 SUEYDZLTNFRNIX-BTRXVMKMSA-N 380.396 3.312 0 1 GGAF COC(=O)C[C@@]1(c2c(C)nn(C)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 587513989 CUZCWFXGGKZNNJ-JOCHJYFZSA-N 382.460 3.340 0 1 GGAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586916504 MSBFTJGJAUNSQR-LRTDBIEQSA-N 377.400 3.110 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCCN1CCCC1=O)O2 587395929 PHSXUSDYWWKGMU-FQEVSTJZSA-N 380.444 3.285 0 1 GGAF COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1C 587758366 WUYSWCMCVPYPMT-FVMDXXJSSA-N 381.245 3.337 0 1 GGAF COc1cccc2cc3c(nc12)[C@@](C[C@H]1COCCN1)(c1ccccc1)NCC3 963061441 CALMEJPFTUFJQI-GBXCKJPGSA-N 389.499 3.011 0 1 GGAF Cc1ccc2c(n1)N(C)C=C(C(=O)O)[C@@]21c2ccc(F)cc2C[C@@H]2CCCN21 963106247 RGYBSVQYESFZMV-KSFYIVLOSA-N 379.435 3.212 0 1 GGAF O=C(OCc1ccccc1)N1CCC[C@H](c2nnn3cnc4[nH]ccc4c23)C1 1772621672 LITDGYGRTIDRGP-HNNXBMFYSA-N 376.420 3.122 0 1 GGAF COc1ccccc1N1CCN(CCCc2ccc3c(c2)sc(=O)n3C)CC1 13779685 HQRJJQDPSVJHQO-UHFFFAOYSA-N 397.544 3.363 0 1 GGAF N=C(NCCCc1c[nH]cn1)NCC[C@@H](c1ccccn1)c1ccccc1F 13816196 RVUDFUIMYQMAOL-GOSISDBHSA-N 380.471 3.213 0 1 GGAF CCCn1c(=O)c2[nH]c([C@H](c3ccc(F)cc3)C3CC3)nc2n(CCC)c1=O 13861089 GDGUEXHQRZLZNJ-INIZCTEOSA-N 384.455 3.387 0 1 GGAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 3873167 JQYLIGHHVGCTPR-UXPGNFPBSA-N 384.520 3.495 0 1 GGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NC[C@@H](O)CC)c1 4049360 HFAAIRIRBCRQMA-DSKINZAPSA-N 382.460 3.064 0 1 GGAF CC[C@@]12CC[C@@]3(COC(C)=O)[C@@H](CCC4=C5[C@@H](CC4)[C@@H](C(=O)OC)C[C@@]513)CN2 2356419975 KSROFXNZRLENBT-FEEWCXTGSA-N 387.520 3.378 0 1 GGAF CCCN1C(=O)COc2cc(CN3CCN(c4ccc(F)cc4)CC3)ccc21 103249222 GHDCBBSVKPBRFY-UHFFFAOYSA-N 383.467 3.283 0 1 GGAF O=C1N[C@H](c2ccc(Br)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1=O 108712137 FWEHHSJSXSDVNL-UONOGXRCSA-N 392.636 3.342 0 1 GGAF COc1cc2nc(=S)n3[nH]c(CCn4nc(C)cc4C)nc3c2cc1OC 100450915 PXQQKHXWTUVGAF-UHFFFAOYSA-N 384.465 3.013 0 3 GGAF CC1(C)c2cc(OC[C@H]3C[C@H](O)CN3)ccc2C(=O)c2c1oc1ccccc21 114802000 GABBBLWSJNIOGL-KGLIPLIRSA-N 377.440 3.405 0 1 GGAF CC1(C)c2cc(C(=O)N3CCOCC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21 114801005 MJGPYCSQVACHTE-UHFFFAOYSA-N 399.450 3.382 0 1 GGAF O=C1C=C[C@H]([C@@H]2c3cc4c(cc3CCN2C(=O)OCc2ccccc2)OCO4)O1 26575289 RFYIALWVGDWCHL-UTKZUKDTSA-N 393.395 3.133 0 1 GGAF COc1nnnc2c1sc1nc(N3[C@H](C)COC[C@H]3C)c3c(c12)CCCC3 28949409 YTZCADWXNRDHAC-GHMZBOCLSA-N 385.493 3.136 0 1 GGAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@H]2[C@H]1[C@@H]1C[C@](C)(O)CCC[C@@](C)(O)[C@@H]2O1 2356620682 BLMRZMAUEMLTCH-ZQFPTXTCSA-N 382.541 3.450 0 1 GGAF CN(C)[C@@H]1CC(C)(C)[C@@H]2C[C@@](C)(O)CC[C@@]21CCC(=O)NCc1cccnc1 2356864365 VTYIXLGAAUFMKH-YDLSIGKMSA-N 387.568 3.376 0 1 GGAF Cc1c(C[C@H](C)C(=O)NC2=C(C(=O)O)CCCC2)cnn1-c1ccc(O)cc1 34853232 TZGGJKMAPZGDSV-ZDUSSCGKSA-N 383.448 3.094 0 1 GGAF COCCCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21 34323281 PPOIWUROMYTRRK-UHFFFAOYSA-N 396.278 3.465 0 1 GGAF Cc1c(C[C@H](C)C(=O)Nc2ccccc2C(=O)O)cnn1-c1ccc(O)cc1 49111984 XUZKZJUMJQXACN-ZDUSSCGKSA-N 379.416 3.402 0 1 GGAF Nc1nn2cccnc2c1-c1cc(N2CCC[C@@H]2c2ccc(F)cc2)ncn1 45318827 WNDJXHTVTVODGW-MRXNPFEDSA-N 375.411 3.249 0 1 GGAF CCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4(F)CCC4)C3=C2)cn1 149265835 WNUJWIVFLXIBCW-UHFFFAOYSA-N 378.451 3.480 0 1 GGAF CN1CC[C@]23Cc4nc5c(F)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 95561580 QQCJXXCHKNZGKT-GMKZXUHWSA-N 390.458 3.107 0 1 GGAF CCCCCn1cc(C(=O)Nc2ccc(OC)cc2)c(=O)c2c(C)nn(C)c21 95595226 AIAGUSOMSQCWDK-UHFFFAOYSA-N 382.464 3.495 0 1 GGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)cnc2[nH]1 586939042 XXIIUQLEQOPKNQ-ZDUSSCGKSA-N 396.925 3.384 0 1 GGAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587225101 NFDBDNRXEGGMIU-MRVPVSSYSA-N 399.760 3.060 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(O)c(C(=O)O)cc31)CC2=O 587488213 HVNSNNLHTKFIMS-NRFANRHFSA-N 383.400 3.341 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(C)(C)n1cncn1 587863124 CVXWGMNIHKDGHR-UHFFFAOYSA-N 379.342 3.245 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(OC(F)(F)F)ccc21 587381503 GGWCFZACMNTMEC-QGZVFWFLSA-N 378.306 3.289 0 1 GGAF O=C1CSC[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)N1 587042761 FZDRWQFMMISNAQ-SSDOTTSWSA-N 380.189 3.248 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(I)o1)[C@@H](C2)C3=O 587427693 KQUVWUKHPNQVRS-BJOHPYRUSA-N 382.153 3.382 0 1 GGAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(S(=O)(=O)N(C)C)cc3[nH]1)CC2 587947613 YNNYXMLQPKYCEG-AWEZNQCLSA-N 385.489 3.094 0 1 GGAF CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)NCCc2cc(C)c(F)cc21 962091458 KRUJOUVIXBOBMU-IBGZPJMESA-N 396.915 3.495 0 1 GGAF COc1ccc(Br)c2c1NC(=O)[C@]21NCCc2c1sc(C)c2C 963010385 NULKSQZPGZIVOZ-KRWDZBQOSA-N 393.306 3.477 0 1 GGAF CC(=O)OC(C)(C)[C@H]1Oc2cc3oc(=O)ccc3cc2[C@H]1OC(=O)C=C(C)C 13461225 FOACRIIAKPYTRH-UXHICEINSA-N 386.400 3.446 0 1 GGAF biogenic FC(F)(F)c1cccc(N2CCN(CCCN3C[C@@H]4CCCCN4C3)CC2)c1 19332290 NHVXOKXLJAOMQN-FQEVSTJZSA-N 396.501 3.345 0 1 GGAF Cc1cc(C)n(-c2ccc(S(=O)(=O)NC(=S)Nc3ccccc3)cc2)n1 169336428 RLAQDUDWTDSZPU-UHFFFAOYSA-N 386.502 3.164 0 1 GGAF CCCC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169360778 ZQHVKFMMNIRWPN-UUSOTWBNSA-N 395.499 3.006 0 1 GGAF O=C(Nc1ccc(C(=O)N2CC3(CCCO3)C2)cc1)N1Cc2ccc(F)cc2C1 166505809 PFHIDYMFWSDPRX-UHFFFAOYSA-N 395.434 3.378 0 1 GGAF O=C1Nc2cccc(Br)c2C12CCN(c1ccc(Cl)nn1)CC2 1857558114 IYQOXHNJSZOJTK-UHFFFAOYSA-N 393.672 3.383 0 1 GGAF NC(=S)c1cc(-c2cn(CC(CF)CF)c3cc(CO)ccc23)ccn1 1857605331 SJPYIYBFKDJFJF-UHFFFAOYSA-N 375.444 3.385 0 1 GGAF Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1ncc(C(C)(C)C)c(O)n1 1857594785 HRNZDPZPHSTUEO-UHFFFAOYSA-N 391.475 3.172 0 1 GGAF O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccccc1 1857635111 ZHWNQTPGSBTAEN-UHFFFAOYSA-N 380.469 3.095 0 1 GGAF CC(C)(C)NC(=O)CSc1nnc(Cc2ccccc2)n1C[C@H]1CCCO1 904461 FZKVEFDILLARPF-MRXNPFEDSA-N 388.537 3.055 0 3 GGAF CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)c2ccco2)C1 4612120 YHRSCQHSHLSNRD-RLLQIKCJSA-N 396.487 3.483 0 1 GGAF COc1ccc(NC(=O)N(CCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 8617353 KBVDXJOYQBYRBP-UHFFFAOYSA-N 395.459 3.180 0 3 GGAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]1C[C@H](C(N)=O)C2 101136202 VSBPAZLSKLWBGS-VMUDFCTBSA-N 378.900 3.294 0 1 GGAF C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1CC(=O)N1CCc2ccccc21 22941380 JAMGASWUKANWIE-QGZVFWFLSA-N 383.923 3.435 0 1 GGAF COc1ccc(OC)c(C2=C[C@@H](c3cc(OC)ccc3OC)NC(=S)N2)c1 103279099 BQJHJPHEPSZCGL-INIZCTEOSA-N 386.473 3.281 0 1 GGAF COc1ccc(CCN(C)CC[C@H]2CN(C)C(=S)c3cccnc3O2)cc1 26284795 JYFIAPBNBOCRKQ-SFHVURJKSA-N 385.533 3.023 0 1 GGAF O=C(C1CCOCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccc(F)c2)cc1 100101799 PVKZYXPHJMEICP-ZBYYUNFXSA-N 380.463 3.186 0 1 GGAF CN(C)C(=O)Nc1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nn12 118242587 OQLRDZUVESCUGH-OAHLLOKOSA-N 386.406 3.443 0 1 GGAF O=C(CN1CCN(CCc2ccccc2)CC1)[C@](O)(c1ccccc1)C1CCC1 22940444 JSXGZWZYRXLLHZ-VWLOTQADSA-N 392.543 3.104 0 1 GGAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@@H]2C(=O)OCCc1ccccc1 29205488 WSTBUYSFCXEAIP-CLAROIROSA-N 393.483 3.481 0 1 GGAF O=C(NCCCc1ccccc1)[C@H]1CCCN1S(=O)(=O)/C=C/c1ccccc1 29223852 RYXBXWPVPXMPFN-BKBDBRRMSA-N 398.528 3.201 0 1 GGAF CCN(Cc1ccccc1)C(=O)C1CCN(c2ncnc3onc(C)c23)CC1 20944979 FGSLVNIPSCWQGN-UHFFFAOYSA-N 379.464 3.191 0 1 GGAF Cn1cc(-c2cnn3c(NCc4ccccc4)cc([C@H]4CCCNC4)nc23)cn1 66104477 YXNNEFRRFMSNCQ-KRWDZBQOSA-N 387.491 3.209 0 1 GGAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356747249 BYQNPKJKGRJTID-GVDBMIGSSA-N 398.507 3.336 0 1 GGAF CC(=O)O[C@@H]1C=C2CC[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)=C[C@@]2(C)[C@H](C)C1 2356797915 OPMBDFTWIJVUDF-XZTDQARTSA-N 378.465 3.494 0 1 GGAF CNCCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72180860 QMXWMVGNKSRBNC-LBPRGKRZSA-N 381.320 3.115 0 1 GGAF O=C(Nc1ccccc1)OCCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 45191245 BILBRRWBWMFQOW-INIZCTEOSA-N 386.429 3.208 0 1 GGAF COc1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)cn(C)c1=O 222631388 CFJOSRHKASHJDW-SJORKVTESA-N 392.459 3.045 0 1 GGAF CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(O)c(COC)cc14)[C@@H]32 84616138 IXPLJNPLQLSBQR-VABKMULXSA-N 396.487 3.073 0 1 GGAF C[C@@H]1Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C(=O)O)CO1 198421881 UJFUDRXBOPWUEV-SECBINFHSA-N 376.459 3.034 0 1 GGAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2(C)CC2)c2cc[nH]c2c1=O 146353702 DXBHWKBSHLNKCZ-UHFFFAOYSA-N 386.473 3.116 0 1 GGAF COC(=O)c1cc(OC)c(Cl)c(Oc2cc(C)cc(O)c2C(=O)OC)c1O 238771381 UDUNDMNLNSSYAH-UHFFFAOYSA-N 396.779 3.434 0 1 GGAF COc1ccc(NC(=O)C(C)(C)n2cc(-c3cccc(OC)n3)cn2)c(OC)c1 618008092 WFZFVMLWDLENMD-UHFFFAOYSA-N 396.447 3.345 0 1 GGAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@H]1CC[C@@H](C(N)=O)CC1 473244442 LJZHMVJZEOEIMC-PYWFAVPRSA-N 384.520 3.125 0 1 GGAF COc1cccc(-c2cnn3c(=O)cc(-c4ccc5c(c4)OCCO5)[nH]c23)c1 653680394 KSSGAOIAZWULEV-UHFFFAOYSA-N 375.384 3.136 0 1 GGAF CCOC(=O)C[C@@]1(c2ccc(Cl)cn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424202 XRZBFAGPQUYKGW-JLTOFOAXSA-N 387.819 3.340 0 1 GGAF CCOc1ccccc1[C@@](N)(c1nc2ccc(C(=N)N)cc2[nH]1)C(F)(F)F 587091511 FAUNPDGPMAPOCI-QGZVFWFLSA-N 377.370 3.010 0 1 GGAF O=S(=O)(c1ccc2nc(CC3CCCCCC3)[nH]c2c1)N1CCOCC1 587961819 YDSVJPMBMGNHOB-UHFFFAOYSA-N 377.510 3.097 0 1 GGAF COC(=O)c1c(-c2cncc(Br)c2)[nH]c2c(C(=O)O)cccc12 587638895 SJMBGEVITLJJKZ-UHFFFAOYSA-N 375.178 3.477 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\NC(=O)CS2)(C2CC2)N1 587859067 VGUPXXMJHPXRET-JRQMMFFYSA-N 397.313 3.432 0 1 GGAF CCOC(=O)c1cc(Br)c2[nH]c(Cc3cccnc3N)nc2c1 587254509 KILLTIUDIOLNFP-UHFFFAOYSA-N 375.226 3.070 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1cc(O)cc(Br)c1O)[C@@H](C2)C3=O 587411698 GADWYSJGOBABKA-DYZYQPBXSA-N 377.190 3.358 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@]3(CCC[C@H](NC(=O)OC(C)(C)C)C3)c3cccc1c32 963022588 HETAWVRSOLWNAR-GTQRCTGISA-N 385.508 3.403 0 1 GGAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)[C@H]1CCCNC1 1772602772 YJCSSRDCRZJHOU-LWLPBDFMSA-N 382.439 3.201 0 1 GGAF Cc1cc(-c2cnn(C)c2)cc([C@H]2CCN(C(=O)c3cc(C(C)C)n(C)n3)C2)n1 1772578218 FMVJJSPKBXQSEI-INIZCTEOSA-N 392.507 3.277 0 1 GGAF COc1cc(/C=C2/OC(=O)c3c2ccc2c3OCO2)c(CCN(C)C)cc1OC 13308300 NNWPIBVUTATMEC-LICLKQGHSA-N 397.427 3.205 0 1 GGAF COc1ccc(C2=Nn3c(nnc3-c3cc(OC)ccc3OC)SC2)cc1 13828702 CPIAJASKTCKDGB-UHFFFAOYSA-N 382.445 3.329 0 1 GGAF CCCC[C@@]12[C@@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 169335562 DTVYAHOULQCSMS-ULOACPOOSA-N 387.476 3.090 0 1 GGAF [11CH3]OC(=O)[C@@H]1[C@@H](c2ccc(/C=C\I)cc2)C[C@@H]2CC[C@H]1N2 169353198 GZWPHROGQGOESZ-MDZPFUOOSA-N 396.256 3.489 0 1 GGAF Cc1ncc(C)n2nc(CCc3cn4c(n3)-c3ccccc3[C@@H]4C(C)(C)O)nc12 169704380 MMJBLWRXANVBFS-LJQANCHMSA-N 388.475 3.064 0 1 GGAF O=C(Nc1ccc(C(=O)N2CC3(CCCOC3)C2)cc1)N1Cc2ccccc2C1 166845155 LAVZFEWLOQMSER-UHFFFAOYSA-N 391.471 3.487 0 1 GGAF O=C(NCc1cccc(Cl)c1F)c1[nH]c(-c2ccc(F)cc2)nc(=O)c1O 205699726 TZMBHWGZSZLKAM-UHFFFAOYSA-N 391.761 3.004 0 1 GGAF O=C(c1cc2c(Cl)cccc2[nH]1)N1CCN(CCOc2cccnc2)CC1 205942159 XDJJCVLGIOECKZ-UHFFFAOYSA-N 384.867 3.053 0 1 GGAF COC(=O)CC[C@]1(C)C2=C(CC[C@@H]1[C@H](O)CO)[C@@H]1CC[C@@H](C(C)=O)[C@@]1(C)CC2 2356464015 UTMLHIJEESKUJZ-HEMUOMBOSA-N 392.536 3.421 0 1 GGAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(I)cc1)N2C 100760038 SIIICDNNMDMWCI-AJNGGQMLSA-N 385.245 3.031 0 1 GGAF Cn1c(N(CCCCCN)CCc2ccccc2)nc(-c2ccncc2)cc1=O 103245701 MBIRRCWABHLJSK-UHFFFAOYSA-N 391.519 3.020 0 1 GGAF Nc1ncnc2c1[C@H]1[C@H](N3CCCC3)CCCCN1C(=O)N2c1ccccc1 103202489 LDTHFEOZWKFNBF-SJLPKXTDSA-N 378.480 3.322 0 1 GGAF Oc1ccc2c(c1)O[C@@H](CNCc1ccc(I)cc1)CC2 103267880 OCELOKBVPAERLI-MRXNPFEDSA-N 395.240 3.480 0 1 GGAF O=C1[C@H](N2CCN(Cc3ccc(Cl)cc3)CC2)CCc2cccc3c2N1CC3 22927095 MDCLDPYRUQCBTL-OAQYLSRUSA-N 395.934 3.362 0 1 GGAF NC(=O)c1c(F)ccc(OCc2nc(-c3ccc(Cl)cc3)c(CO)o2)c1F 103234529 CKWSNUDZQUAPEN-UHFFFAOYSA-N 394.761 3.443 0 1 GGAF O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@@H](C(F)F)C2 58487528 UWTKUNBQKQJYNL-CCUNJIBTSA-N 387.839 3.395 0 1 GGAF COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2O)cc1 117035485 OOAXTXAQDYRKFM-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4C)cc3n21 117692383 UABDEGYXSZJSQL-CYBMUJFWSA-N 387.443 3.475 0 1 GGAF CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356682211 HFKAIASGHCYYRR-KKDHSZCASA-N 392.536 3.253 0 1 GGAF COc1ccc(S(=O)(=O)n2ccc3ccccc32)cc1NC1CCN(C)CC1 35262113 SBUFLUHOCLFFMR-UHFFFAOYSA-N 399.516 3.393 0 1 GGAF CCOC(=O)/C=C\c1c(Cl)n(-c2ccccc2)c(=O)n(-c2ccccc2)c1=O 31871866 XANJUKUWOGYJHG-YPKPFQOOSA-N 396.830 3.218 0 1 GGAF CS(=O)(=O)Nc1ccc2c(c1)C(=O)c1cc(-c3ccccc3)cnc1CC2 72110860 AJNQYKAUTVNESQ-UHFFFAOYSA-N 378.453 3.450 0 1 GGAF C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@]2(O)[C@H](OC(C)=O)CC[C@H](C)[C@]12C 14808175 LHSDHMPOZLNSQN-ANCQODKXSA-N 390.432 3.044 0 1 GGAF biogenic Cc1cnc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)nc1 146170483 SPUPFMFFTCRYOB-POHZPAGDSA-N 376.432 3.098 0 1 GGAF O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F)C1CC1 96177291 DPURLSYXRHWHCQ-UHFFFAOYSA-N 388.406 3.424 0 1 GGAF CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4c3CCC4)ncc21 146997115 WIJJOWCTDWQEGE-UHFFFAOYSA-N 377.423 3.246 0 1 GGAF O=C(NC1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 95795565 DNJRSVCHQAYCPE-YADHBBJMSA-N 397.563 3.344 0 1 GGAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 299887826 ZNFHIAXORATXBB-BOFPYLFWSA-N 390.842 3.458 0 1 GGAF Cc1nn(C)cc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(F)(F)F 587649571 QIODIDPCDGWMBB-UHFFFAOYSA-N 385.367 3.025 0 1 GGAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2nc(Br)c[nH]c-2n1 587108700 PONRKMMRXSUNLO-UHFFFAOYSA-N 387.115 3.451 0 1 GGAF COc1ccnc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587660608 QLPVTYUJXTUKPR-UHFFFAOYSA-N 375.359 3.295 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)/C=C\C(=O)O)cc1)O2 587389923 MWPYOXPHZRJILY-GIWCCYDRSA-N 380.400 3.037 0 1 GGAF Cc1c(Cl)ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c12 587203034 MSPQSENBLKVCHL-HNNXBMFYSA-N 387.823 3.447 0 1 GGAF CC(=O)N1CCC[C@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1 587660252 DNMKBIWTJFSRFZ-INIZCTEOSA-N 393.418 3.101 0 1 GGAF COc1ccc(NS(=O)(=O)c2ccc3nc(C4CC5(COC5)C4)[nH]c3c2)cc1 586916112 VHRYZHSLVXSCNW-UHFFFAOYSA-N 399.472 3.266 0 1 GGAF COC(=O)c1cc2[nH]c(-c3ncc(N)cn3)nc2c(F)c1Nc1ccccc1 587252679 IUIBDTFNUNLIRK-UHFFFAOYSA-N 378.367 3.271 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CCS(=O)(=O)c4ccc(Cl)cc41)[C@@H](C2)C3=O 587453267 RBGVDIIAZRPSNX-LIRRHRJNSA-N 390.844 3.169 0 1 GGAF CC(C)[C@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197782 OAWDEAZJBVUBGP-CQSZACIVSA-N 383.470 3.374 0 1 GGAF O=C(O)c1cccc2c1CCN[C@@]21CCCN(C(=O)Oc2ccccc2)CC1 963131248 MTCWSCMLGNMIMC-JOCHJYFZSA-N 380.444 3.411 0 1 GGAF COc1cc(C(=O)N[C@H](c2ccccc2F)C(C)(C)O)ccc1-c1cn[nH]c1 1772571693 UHTJASDMENLSNM-LJQANCHMSA-N 383.423 3.466 0 1 GGAF COc1ccc2[nH]c(C(=O)N3CCN(c4ncccc4NC(C)C)CC3)cc2c1 5963012 UZKPCRMCLFYZDM-UHFFFAOYSA-N 393.491 3.354 0 1 GGAF CS(=O)(=O)c1ccc(-c2cc(CO[N+](=O)[O-])nn2CC2CCCCC2)cc1 13560516 XWXMDJVCIGGQLX-UHFFFAOYSA-N 393.465 3.242 0 1 GGAF COc1ccc2c(c1)[C@H](CCN1CCN(c3cccc4c3OCCO4)CC1)C2 13743687 KGQHJNSZDKNEFS-GOSISDBHSA-N 380.488 3.318 0 1 GGAF COC(=O)[C@H]1[C@@H](OC(C)=O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 14886862 AVICMXMDDSGUEL-XYSIFLHBSA-N 396.487 3.218 0 1 GGAF O=C(N[C@H]1CCC(=O)N(CCOc2ccccc2)CC1)OCc1ccccc1 15937261 GQCQWLJSHVPYHG-IBGZPJMESA-N 382.460 3.373 0 3 GGAF COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OCCCN(C)C 169304476 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COCCCN1CCc2ccc(OC)cc2[C@@]1(C)c1ccc(-c2nn[nH]n2)s1 961319588 JECZKUCUQIQZFQ-FQEVSTJZSA-N 399.520 3.095 0 1 GGAF C[C@@H]1CN(Cc2ccccc2)CC[C@]12NC[C@H]1CC(=O)N(C)c3cccc2c31 963018829 DYWNPRRJIVJCAD-YJLYGGOZSA-N 375.516 3.477 0 1 GGAF O[C@H]1C[C@H](CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)C1 1772618996 XFAUYIRNWGLEBW-AULYBMBSSA-N 378.354 3.478 0 1 GGAF Cn1cc([C@@H](CNC(=O)c2ccccc2Cl)N2CCC(F)(F)CC2)cn1 1772608374 NXADZGZMVGLZCY-MRXNPFEDSA-N 382.842 3.276 0 1 GGAF CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)CCN2CCCC2=O)C1 12592911 ZTHTTXDTCCGSDJ-SFHVURJKSA-N 398.482 3.154 0 3 GGAF COc1ccnc(C[S@@](=O)c2nc3cc(F)c(OC(F)F)cc3[nH]2)c1C 13452144 VKTGZKAOPIGEGV-SANMLTNESA-N 385.367 3.323 0 1 GGAF O=c1ccoc2cc(OCCCN3CCN(c4cccc(O)c4)CC3)ccc12 13860928 VHDHHYPRBNNRGI-UHFFFAOYSA-N 380.444 3.090 0 1 GGAF C[C@H]1Cc2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2N1C(=O)C1CC1 15943492 UJMDTQMKAMHBRC-KFWWJZLASA-N 376.522 3.041 0 3 GGAF COc1ccc(-c2cn(Cc3cc(-c4ccc5c(c4)OCO5)no3)nn2)cc1 1857767964 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COCC(=O)N(c1ccc2[nH]ncc2c1)C1CCN(CCc2ccccc2)CC1 27736459 OEPCYSBDYHSJHA-UHFFFAOYSA-N 392.503 3.249 0 1 GGAF O=C(NCC(=O)N(CCCCO)C1CCCC1)c1cc2cc(Cl)ccc2[nH]1 28133177 CQTAZRQJFVKCHX-UHFFFAOYSA-N 391.899 3.095 0 1 GGAF CCCO[C@H]1C[C@H](CC)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40408087 NUAGUSVYUAKFOF-HOCLYGCPSA-N 380.876 3.481 0 1 GGAF COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CC2)[C@@H](CO)N3)c1 95798515 WTDKBUHNBUIAHQ-STZQEDGTSA-N 378.472 3.448 0 1 GGAF CC[C@H]1[C@@H]2CCCCN3[C@@H]2[C@@H](C[C@@H]3[C@H]2C[C@@H](C)C(=O)O2)[C@@H]2[C@H]1OC(=O)[C@@H]2C 255214339 GYOGHROCTSEKDY-GQHYTBRJSA-N 375.509 3.015 0 1 GGAF COc1ccc(C(=O)c2ccn(-c3cc(OC)c(OC)c(OC)c3)c2)cc1O 299834982 UKISFHMAWCLOMI-UHFFFAOYSA-N 383.400 3.448 0 1 GGAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(Br)c(O)c3[nH]1)C2 587245906 AUMRHWMIIMIFSX-SFHVURJKSA-N 388.265 3.383 0 1 GGAF COC(=O)c1scnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587855824 WEIOBUDWPLUBLD-JVXZTZIISA-N 385.258 3.455 0 1 GGAF C[C@]1(CCN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347236 UFKNKFHIDBUOMV-IFMALSPDSA-N 385.435 3.371 0 1 GGAF CC[C@]1(c2ccc(Br)cc2N)N[C@H](C(=O)O)Cc2cc(F)ccc21 962918447 HSIBXXDGNUDCEL-WMZOPIPTSA-N 393.256 3.423 0 1 GGAF Cc1ccc(OCC(=O)N2CCC[C@](CO)(CCOc3ccccc3)C2)cc1 12200134 VKAKNRUBQTYKKH-QHCPKHFHSA-N 383.488 3.444 0 3 GGAF COc1cc2c3c(c1OC)-c1ccccc1[C@@H](OC(C)=O)[C@H]3N(C(C)=O)CC2 14635289 LHFZBPLGDRPNMH-LEWJYISDSA-N 381.428 3.434 0 1 GGAF biogenic CCCCCC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 169342291 NTMSESUVSZGDEE-BCPMKPLCSA-N 383.488 3.006 0 1 GGAF O=c1nc(C(F)(F)F)ccn1C[C@H]1C[N@]1Cc1cc2ccccc2nc1Cl 1857742860 SSSKQXYXMURXBW-NRRJATNASA-N 394.784 3.348 0 1 GGAF Cc1cn[nH]c(=Nc2ncnc3ccc(-c4cccc(N5CCOCC5)c4)cc23)c1 1857746687 DNMZZOUJAKVBGE-UHFFFAOYSA-N 398.470 3.397 0 1 GGAF CCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)Nc1ccc(OC(C)C)cc1)C2 100752003 UJDMCPUQOYKAOH-IPELMVKDSA-N 394.537 3.253 0 1 GGAF CCCCN(CC)C(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O 20847722 XFPMTAAAECOAIG-UHFFFAOYSA-N 388.855 3.354 0 1 GGAF Cc1ccc(CNC(=O)CSc2n[nH]c3c4cc(F)ccc4nc-3n2)cc1 101879384 LKQTYMCQNMPAKO-UHFFFAOYSA-N 381.436 3.314 0 1 GGAF COc1cc(-c2cnc(N)c(-c3ccc(C(=O)O)cc3C)n2)cc(OC)c1OC 64446726 IZHUCFATOAHISF-UHFFFAOYSA-N 395.415 3.425 0 1 GGAF CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1 40380519 ZDPJZHMYNJQQEX-VIFPVBQESA-N 392.826 3.486 0 1 GGAF CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cc(C(C)(C)C)on4)nc3n2C1 147130344 DQGHTEPCNAKPFL-UHFFFAOYSA-N 395.463 3.344 0 1 GGAF Cc1ccc(N2CCc3ncnc(NC[C@@]4(O)CCCC(C)(C)C4)c3C2)nc1 148318811 HTVUSDVRSXVDKG-JOCHJYFZSA-N 381.524 3.486 0 1 GGAF COc1ccc(Nc2ncnc(Nc3ccccc3NC(C)=O)n2)c(OC)c1 96273913 HYKIVBIOJWQTLE-UHFFFAOYSA-N 380.408 3.334 0 1 GGAF O=C(c1ccc(C2CC2)c(OCC2CC2)n1)N1CC[C@](CO)(C(F)(F)F)C1 146235285 MSHMYQIZWKZZIW-SFHVURJKSA-N 384.398 3.135 0 1 GGAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccccc1Cl)C2 95796559 IFCFYBSWSRJDGI-PZJWPPBQSA-N 384.907 3.291 0 1 GGAF CC(C)n1nc(Cn2nc3ccccc3c2C(=O)NCCCO)c2ccccc21 95586305 CEMQBHXLPNDEKU-UHFFFAOYSA-N 391.475 3.127 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CNc5ccccc5C4)ncc23)ccn1 261181081 WDOSCIHABDZRSZ-INIZCTEOSA-N 399.458 3.487 0 1 GGAF CN1CCC[C@@H]1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 653691124 YISYTKMEACCBNN-QGZVFWFLSA-N 383.835 3.173 0 1 GGAF COc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)c(I)c1 587180079 LAAHUTHLIPFTIS-UHFFFAOYSA-N 386.580 3.238 0 1 GGAF O=C(Nc1nc(Cc2nc3cnc(Cl)[nH]c-3n2)cs1)c1cccs1 587019971 VGIOTVCVZMERBX-UHFFFAOYSA-N 376.854 3.319 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCCN1C(=O)c3ccccc3C1=O)O2 587390007 FDAROFOWVUHMTD-JOCHJYFZSA-N 378.428 3.378 0 1 GGAF O=C(NCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cc2c(s1)CCC2 587035290 RLIKDODQXNSMKZ-UHFFFAOYSA-N 377.372 3.365 0 1 GGAF Cc1nn(C)c(N(C)C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587760029 WPDQJLGSDDYBGJ-JDNHERCYSA-N 381.293 3.320 0 1 GGAF CCNC(=S)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O 587671404 VZBYDYWDSRDPCQ-UHFFFAOYSA-N 396.516 3.358 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(F)cc12 587735319 TWACISZTGFVMSC-WNWIJWBNSA-N 379.204 3.457 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)c1ncc[nH]1 587588983 MLAFXANWIMIBDG-XMSQKQJNSA-N 385.379 3.416 0 1 GGAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)C(C)C 586933318 PKPDKKKQYGKDLG-GFCCVEGCSA-N 378.420 3.393 0 1 GGAF NC[C@@]1(Cc2ccc(F)cc2)CCC[C@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962898967 NHNVTHXPAWGBSJ-YUXAGFNASA-N 386.442 3.131 0 1 GGAF CC(=O)N(C)[C@@H](C)[C@]1(c2ccc3c(c2)OCO3)NCCc2cc(Cl)ccc21 963392434 ZYRVLPHHXGEJSV-YEJXKQKISA-N 386.879 3.325 0 1 GGAF COc1ccc(-c2c([C@@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)cnn2C)cc1 963017342 CKMFJVNUEBQNJD-IVZQSRNASA-N 388.471 3.238 0 1 GGAF COc1ncc(C)cc1[C@@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962661375 HVYDMQAPRHAFIM-DHIUTWEWSA-N 391.471 3.309 0 1 GGAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCNc3ncccn3)c2)c1 1772580163 IRYANKDQBGVEFY-UHFFFAOYSA-N 389.419 3.001 0 1 GGAF Cc1ccc(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)cc1C 11957309 ABJDVPWUUMHPGU-LJQANCHMSA-N 382.508 3.312 0 3 GGAF CCOc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 13673890 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O=C(Nc1ccc2c(c1)OCCO2)c1cnn2c1NC(=C1CC1)C=C2C(F)F 102901459 OZPRMVXBPKAGKF-UHFFFAOYSA-N 386.358 3.486 0 1 GGAF Cc1ccc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](O)CC2)c(=O)n4C)cn1 118537852 LVIORTDEPFZDSH-IYBDPMFKSA-N 389.459 3.130 0 1 GGAF CCN(CC)CC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(N)cc1 35034034 VHHQBONJUDOHLQ-QHCPKHFHSA-N 397.519 3.102 0 1 GGAF O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCCn1cncn1 72108747 HPYUUVBUHAHPSQ-UHFFFAOYSA-N 399.248 3.270 0 1 GGAF COc1cc(NCCCCCNC2CCS(=O)CC2)c2ncccc2c1 40575351 WADZJMUWUYNZLU-UHFFFAOYSA-N 375.538 3.326 0 1 GGAF NC(=O)Nc1sc(-c2cccc(Cl)c2)cc1C(=O)N[C@H]1CCCNC1 40407830 PZPQGJALDKOXRC-LBPRGKRZSA-N 378.885 3.041 0 1 GGAF Cc1nc2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(-n3ccccc3=O)cn2c1C 40976651 YPDJKJWWTFDCSB-UNMCSNQZSA-N 386.455 3.172 0 1 GGAF CC(=O)O[C@@H]1O[C@@H]2OC(=O)C[C@H]1[C@@H]2[C@]1(C)CCC2=C([C@@H](O)CCC2(C)C)[C@H]1C 238765946 NCFPCQOZRDZFNU-XKLUQWINSA-N 392.492 3.325 0 1 GGAF CCCC[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 257409861 DTVYAHOULQCSMS-JVFJOHBLSA-N 387.476 3.090 0 1 GGAF CCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CC)n3)C2)cc1 261121919 JQVQQVBCAOTAHY-QFBILLFUSA-N 397.523 3.178 0 1 GGAF COc1cccc([C@]2(C)O[C@H]3CO[C@@H]4N3[C@H]2O[C@]4(C)c2cccc(OC)c2)c1 299824438 BISYCXYJFMIOEX-KGWSWXIGSA-N 383.444 3.205 0 1 GGAF COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)[C@@H](O)OC3 299869993 GQPSSDQTIDYSCV-NRFANRHFSA-N 382.368 3.479 0 1 GGAF in-vivo CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(F)ccc21 587568245 GZXKFRYGXFIAEN-GCJKJVERSA-N 391.354 3.365 0 1 GGAF Oc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 587188845 XSSBRUGXRZKZQU-UHFFFAOYSA-N 376.157 3.188 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnc2C(=O)O)N1 587769055 MJCLMIIWCYBOIN-XYZCENFISA-N 379.229 3.479 0 1 GGAF CCOC(=O)C[C@]1(c2ccccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442691 NDOCKEYWMZLTAX-OPAMFIHVSA-N 382.412 3.300 0 1 GGAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c1ccc(N)c4N)[C@@H](C2)C3=O 587434371 UEFWFDSPSHLEAF-FYSMJZIKSA-N 398.418 3.095 0 1 GGAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccnc(O)c3[nH]2)C[C@@H]2CCCC[C@H]21 586959471 KYLJWAVXYLDOSD-XKQJLSEDSA-N 398.488 3.358 0 1 GGAF N[C@H]1CC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587246345 GUXYRAZSKJGUGF-AAEUAGOBSA-N 376.869 3.222 0 1 GGAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586962685 GOZQBSYQOIEDKH-ZDUSSCGKSA-N 378.479 3.014 0 1 GGAF O=C(/C=C/c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1ccc(F)cc1 587167177 OMYMRDCUOJVFGW-BQYQJAHWSA-N 380.423 3.186 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=Cn3c(C=O)cnc32)N1 587776055 VVTCCLLEHGYWEH-DYZYQPBXSA-N 376.229 3.249 0 1 GGAF Cc1cc2[nH]c([C@@H](C)n3ncc(I)c3C)nc2c(C)n1 587182789 SICAKELRVOPWAT-SNVBAGLBSA-N 381.221 3.294 0 1 GGAF Cc1c(O)ccc2c1C1(CCN([C@@H](C)Cc3ccccc3)CC1)N[C@H](C(=O)O)C2 963512501 WYLRZAWHIQMCCQ-JXFKEZNVSA-N 394.515 3.222 0 1 GGAF CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1S(=O)(=O)c1ccccc1 13680337 DFCUYKHPYGZWOB-UHFFFAOYSA-N 389.429 3.195 0 1 GGAF COc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cn1 13812824 CIMZKNZIVLVJNK-UHFFFAOYSA-N 397.378 3.365 0 1 GGAF CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CCN(C(C)=O)CC2)cc1 13814237 NZDDYXVQIGPPAR-HSZRJFAPSA-N 393.531 3.422 0 1 GGAF C[C@@H]1CCCc2c1nn(-c1ccc(F)cc1)c2/C=C/[C@@H](O)C[C@@H](O)CC(=O)O 13833982 UQXRYRQZJFRMCV-WVZJJHDFSA-N 388.439 3.051 0 1 GGAF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)c1ccccc1)[C@H]2C(=O)OCCc1ccccc1 169347335 WSTBUYSFCXEAIP-MBDNFAEBSA-N 393.483 3.481 0 1 GGAF O=S(=O)(c1ccc(F)cc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 205211847 XNAIXMNDYUNKAB-SWLSCSKDSA-N 398.818 3.042 0 3 GGAF CCOc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)cc1 1857540033 SWUMAPGVOUTQNA-FQEVSTJZSA-N 388.370 3.013 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N(C)C 4296884 VYYUOPAQKDLUCL-TZIWHRDSSA-N 398.459 3.283 0 1 GGAF COc1cc2c(cc1O)[C@]1([C@@H](C)c3ccc4c(c3[C@H]1OC(C)=O)OCO4)N(C)C2 2356392150 QMNLUGSVKGQYAU-NSKIEOBBSA-N 397.427 3.192 0 1 GGAF CC1(C)CC[C@@H](OC(=O)/C=C/c2ccccc2)[C@]2(C)[C@@H]3C(=C[C@H](O)[C@@H]12)CO[C@H]3O 139794294 RPWLIMQSJINJKC-VPFXBPSMSA-N 398.499 3.320 0 1 GGAF CC(C)(C)NC[C@@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O 49034715 LUSQFJUMCWATFQ-KRWDZBQOSA-N 389.521 3.029 0 1 GGAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@]4(CC2)CN(Cc2ccccc2)CC[C@]314 195186681 NDPFOBRCDSRAHC-HCUBDLJJSA-N 375.468 3.160 0 1 GGAF COc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(N)n3nc(C)cc32)cc1 96906027 RUUJDLSJAYXIRG-QHCPKHFHSA-N 396.454 3.125 0 1 GGAF N[C@@H](Cc1ccc(I)cc1)c1nc2c(Cl)ccnc2[nH]1 587185142 XYFAJRAPFQZJQO-NSHDSACASA-N 398.635 3.458 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2cnn(C)c2)N1 587764420 PNTVOQWZJZXRJG-DYZYQPBXSA-N 380.261 3.344 0 1 GGAF N[C@H]1CC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587246380 HHVBXDLQMQSWDH-KBPBESRZSA-N 376.869 3.222 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1cc(O)c(Br)cc1O)[C@@H](C2)C3=O 587411671 FXPSJFZIAORZHI-BTDLBPIBSA-N 377.190 3.358 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)Oc4c(C)cc(C)cc41)[C@@H](C2)C3=O 587452309 KRKDVBCMXCFIFC-RCDICMHDSA-N 378.380 3.316 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(C)c2cccc(Br)c21 587371699 MKSPBZURVKFUOC-GOSISDBHSA-N 387.233 3.177 0 1 GGAF COC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1NC(=O)OCc1ccccc1 587638738 USDLVASSAQBMHB-UHFFFAOYSA-N 382.372 3.330 0 1 GGAF CC(C)N1C=C(C(=O)O)[C@]2(NCCc3c(C(=O)O)cccc32)c2cc(F)ccc21 963124502 RDUKJPDCTWGKDS-JOCHJYFZSA-N 396.418 3.110 0 1 GGAF O=C(N1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1)C1(N2CCCC2)CCCC1 11665462 MYEVUDHYPDVMKP-GOSISDBHSA-N 385.508 3.227 0 1 GGAF O=C(O)c1ccc2c(c1)[C@@H](SCCN1CCOCC1)c1ccccc1CO2 13861354 GMXHQPNVKQTICR-FQEVSTJZSA-N 385.485 3.432 0 1 GGAF N[C@H](COc1cncc(C(=O)Nc2ccncc2)c1)Cc1c[nH]c2ccccc12 14957395 MUSFVJUDKNXXKM-KRWDZBQOSA-N 387.443 3.159 0 1 GGAF O=C(C[C@H]1CNC(=O)c2cc(-c3ccc(F)c(F)c3)cn21)NCc1ccco1 169332468 RDHJWXPEAUFUNK-AWEZNQCLSA-N 385.370 3.017 0 1 GGAF O=c1n(CCCNCCCCc2ccccc2)c(O)c2n1Cc1ccccc1C2 169718916 NHEZPINUDOZOPY-UHFFFAOYSA-N 391.515 3.311 0 1 GGAF O=C(NCCc1c[nH]c2ccccc12)OCc1cn(-c2c(F)cccc2F)nn1 203462903 YEJIRODOOGBEFU-UHFFFAOYSA-N 397.385 3.496 0 3 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380.448 3.426 0 1 GGAF COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2F)cs1 82195424 GHQMJSFGQQKWKS-INIZCTEOSA-N 381.448 3.210 0 1 GGAF CC(C)(CO)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)cc1 137022285 HNJALCPDBOOKTH-FBBABVLZSA-N 376.493 3.415 0 1 GGAF O=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1ccn(-c2ccc(F)cc2)n1 143206950 PQWWTXORSYUPAA-LJQANCHMSA-N 384.386 3.064 0 1 GGAF COc1ccc(Cc2nc(-c3ccc(OCCCN(C)C)cc3)c[nH]c2=O)cc1 96921940 OWAVRAOXERJISB-UHFFFAOYSA-N 393.487 3.367 0 1 GGAF COCc1cccc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1 140221094 DDNUHKMHFIEDKA-UHFFFAOYSA-N 399.454 3.406 0 1 GGAF Cc1n[nH]cc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1 95921382 PYGCMVOPOMFFCX-GFCCVEGCSA-N 379.399 3.222 0 1 GGAF in-vitro COC(=O)[C@@H](Cc1ccccc1)N1COc2ccc3c(C)cc(=O)oc3c2C1 63818479 QWIMBXJCUAKXNG-GOSISDBHSA-N 379.412 3.038 0 1 GGAF biogenic CCS(=O)(=O)c1cccc(Cc2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)c1 586923054 XALNFIZAZIXMRB-UHFFFAOYSA-N 392.864 3.387 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599419 XHJWQIFXURXVNS-GCJKJVERSA-N 398.411 3.271 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)([C@@H]1[C@@H]4C[C@H]1N(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587440640 BPFZTEXVWLDABA-FUVHOETDSA-N 385.460 3.457 0 1 GGAF FC(F)(F)c1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cn1 587006373 MDOGCHLMPWYXHG-UHFFFAOYSA-N 383.131 3.449 0 1 GGAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1 587202728 GYPHBTCBKTZMOP-UHFFFAOYSA-N 378.436 3.364 0 1 GGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(Cl)ccnc2[nH]1 586964968 PDEKUDSOUPWDMQ-UHFFFAOYSA-N 388.888 3.068 0 1 GGAF COc1nccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 586961144 SBUKDNDHWSGHHC-HSZRJFAPSA-N 394.294 3.469 0 1 GGAF CN(C)C(=O)c1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1 587038182 DOASVMGBJITKSW-UHFFFAOYSA-N 388.453 3.130 0 1 GGAF COc1ccc(/C=C/Cc2nc3nc(Br)c[nH]c-3n2)c(OC)c1 587929787 QCLRLUSHVRVCRW-ONEGZZNKSA-N 375.226 3.340 0 1 GGAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccnc(Cl)c2[nH]1 586945616 JMDDHNANOCPJJL-UHFFFAOYSA-N 394.865 3.411 0 1 GGAF COC(=O)c1cc(C=O)n2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cccc12 587394512 WTLVDLHRYJZOSJ-IBGZPJMESA-N 378.384 3.136 0 1 GGAF CC[C@]1(c2ccccc2OCC(=O)N(C)C)CC(=O)c2cc(C)cc(N)c2O1 587387702 SDMISNNOHCAFKS-JOCHJYFZSA-N 382.460 3.315 0 1 GGAF N=c1[nH]cc2nc(Cc3csc(-c4ccc(Br)s4)n3)nc-2[nH]1 587019549 NKEHABAVFIBLMC-UHFFFAOYSA-N 393.295 3.255 0 1 GGAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c[nH]1 587061216 RHPAJEKGSYGQDG-UHFFFAOYSA-N 377.795 3.335 0 1 GGAF COC(=O)c1ncccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589169 UIGALZDHNDKDMD-OXJNMPFZSA-N 377.352 3.277 0 1 GGAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(I)cc2[nH]1 587094182 LUQCWLRCCUJDFD-LURJTMIESA-N 397.138 3.297 0 1 GGAF COc1c(COc2ccccc2)nn2c1CN(C(=O)c1ccc(F)cc1)CC2 150134921 NBADJXJJEOBBNM-UHFFFAOYSA-N 381.407 3.266 0 1 GGAF C[C@@H](NCc1ccco1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 201467610 CGQPDXVSWLSDCS-CQSZACIVSA-N 381.398 3.125 0 3 GGAF Cc1cc(C)c(S(=O)(=O)NC(=O)COc2ccc3cccnc3c2)c(C)c1 1857572812 WWRDPNWCCORUCR-UHFFFAOYSA-N 384.457 3.044 0 1 GGAF CC=CC=CC=CC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 2356398562 VYUGROORELIDOB-VGSGFSFPSA-N 390.520 3.075 0 1 GGAF COc1ccc(C=CC[C@H](CO)[C@@H](O)c2ccc(OC)c(OC)c2)cc1OC 2356544111 CTZAPYMTKXSGQH-VGSWGCGISA-N 388.460 3.466 0 1 GGAF CC(=O)OC[C@@H]1[C@@H](C(=CCC=C(C)C)CO)CC[C@@]2(C)C[C@@]1(O)CC[C@H]2O 2356596612 LNKWGASOQMUALA-YXIAPDDASA-N 380.525 3.133 0 1 GGAF C1=CC(c2noc([C@H]3CCCN3Cc3ccccc3)n2)=C[C](N2CCCC2)N1 2356856453 NJPWZBKHCYFDFX-LJQANCHMSA-N 376.484 3.492 0 1 GGAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C(F)F)nc12 43175782 GKYYCIFMTQMTHX-UHFFFAOYSA-N 387.369 3.460 0 1 GGAF CN1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)[C@@]12OC(=O)c1ccccc12 40567166 MJRPOKRSQXASTH-QGZVFWFLSA-N 376.290 3.127 0 1 GGAF CN1CCC(N(C)c2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 40429269 FLOQWWLPIRCNAE-UHFFFAOYSA-N 390.413 3.341 0 1 GGAF O=C(O)c1cn(Cc2ccc(-c3cncnc3)cc2)c2c(F)cccc2c1=O 45390942 WBBLUZBWJXMSTO-UHFFFAOYSA-N 375.359 3.344 0 1 GGAF CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)O[C@H]2O)[C@@]2(C)CCCC(C)(C)[C@H]12 96932375 ZHDFOHJIRGVVGC-UCHHTKOKSA-N 394.508 3.103 0 1 GGAF in-vitro O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2CCC(F)(F)F 95798458 BWPSJVHIGMZLPS-ROUUACIJSA-N 396.453 3.170 0 1 GGAF C/C=C/c1ccc([C@H]2[C@H]3CN(Cc4ccc(C)cc4)CC(=O)N3[C@H]2CO)cc1 95795660 BTBGJPBJMAHVIJ-CDIIQCQTSA-N 376.500 3.199 0 1 GGAF O=C(CCCc1nc2nc(Br)c[nH]c-2n1)c1ccc(Cl)cn1 587082137 LNFNILFQIPNBSZ-UHFFFAOYSA-N 380.633 3.321 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2S(C)(=O)=O)N1 587848879 JDBBLJBKFBPZFT-GTTSAUCSSA-N 390.318 3.305 0 1 GGAF O=S(=O)(c1ncccc1-c1nc2c(F)c(F)c(F)cc2[nH]1)C(F)(F)F 587127563 XIJATYCYEUOOCP-UHFFFAOYSA-N 381.257 3.336 0 1 GGAF C[C@@]1(c2ccc3nnnn3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344002 FCWUORJJBYFOGD-FPOVZHCZSA-N 390.374 3.243 0 1 GGAF CCCCOc1cc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1Br 587971285 YDAQCDAUCJNYBW-CLLJXQQHSA-N 397.225 3.003 0 1 GGAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586917049 QZZJWAHCUKLUFR-FOIQADDNSA-N 384.457 3.183 0 1 GGAF COC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1C 587752433 DTDNILWVOVJOJZ-JDNHERCYSA-N 381.245 3.337 0 1 GGAF CC(C)(C)OC(=O)N(Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)C[C@@H]1CCCO1 587197154 KHKYAIYBLWQDSP-SUMWQHHRSA-N 389.456 3.203 0 1 GGAF COc1cc2nc(-c3cncc(I)c3)[nH]c2cc1OC 587184351 IOVIXSNGZLYMBC-UHFFFAOYSA-N 381.173 3.247 0 1 GGAF COc1cc(OC)c(OC)cc1CN1CC(=O)N(c2ccccc2C)[C@H](C)C1 11880467 YYFUAUIJXJOSGA-MRXNPFEDSA-N 384.476 3.258 0 1 GGAF COc1ccc(F)c(CN2CCC[C@@]3(CCN(Cc4ccncc4)C3)C2=O)c1 12431487 VHMVWZXPMNJXMO-QFIPXVFZSA-N 383.467 3.244 0 1 GGAF C[C@H]1CCCc2c1nn(-c1ccc(F)cc1)c2/C=C/[C@@H](O)C[C@@H](O)CC(=O)O 13833983 UQXRYRQZJFRMCV-ASTBQRGSSA-N 388.439 3.051 0 1 GGAF N=c1ncc2cc(-c3c(Cl)cccc3Cl)c(N3CC[C@@H](CO)C3)nc2[nH]1 1857606815 MHYOCBRKSCIZIF-SNVBAGLBSA-N 390.274 3.230 0 1 GGAF Cc1cccc(CN2C(=O)CSc3ccc(C(=O)N4CCOCC4)cc32)c1 3638485 QSIJRDZKUXSGBT-UHFFFAOYSA-N 382.485 3.106 0 1 GGAF COc1c(O)c(Cc2cnc[cH-]2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1O 103533415 KETMWPXUTWABSJ-UHFFFAOYSA-N 378.360 3.290 0 1 GGAF biogenic,in-vitro COc1ccccc1N1CCN(CCOC(=O)C23C[C@@H]4C[C@H]2C[C@@H](C4)C3)CC1 100840436 NBROEQHLZXKNTP-NWKQVAMWSA-N 384.520 3.187 0 1 GGAF CC(=O)c1cn(C)c2ccc(-c3ccc(/C=C4\NC(=S)NC4=O)s3)cc12 103234936 VVYKIXXMXONAEM-NVNXTCNLSA-N 381.482 3.455 0 1 GGAF CC(=O)[C@H](C(=O)c1ccc(C)cc1)[C@H]1OC(C)(C)O[C@H]1[C@H]1COC(C)(C)O1 102937392 BZFZGHUYWOTJBG-ZAWLATJESA-N 376.449 3.055 0 1 GGAF Cn1c(F)c(-c2cc(C(F)(F)F)c3nn(C4CCNCC4)cc3c2)ccc1=O 1911584450 UITORJDEMKPKGW-UHFFFAOYSA-N 394.372 3.484 0 1 GGAF CNc1ccc(/C=C/c2cnc(OCCO)c([125I])c2)cc1 100067272 WFNZNUJABVVFBV-WONBRFQJSA-N 394.229 3.269 0 1 GGAF COc1ccc(CNC(=O)[C@H]2Cc3c(-c4ccccc4)ccnc3O2)cc1OC 61906671 TXULJDHDMSTUBT-OAQYLSRUSA-N 390.439 3.386 0 3 GGAF COc1ccc(S(=O)(=O)Oc2ccccc2C(=O)Nc2ccncc2)cc1 29406372 LZJHHEPBVMEGCJ-UHFFFAOYSA-N 384.413 3.110 0 1 GGAF CCOC(=O)C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1 28113467 WRYMKRRGWPHKTP-UHFFFAOYSA-N 391.832 3.278 0 1 GGAF C[C@]1(O)CCN(C(=O)c2ccccc2F)[C@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356453361 VQMARVCSENKPEC-VIZSFHNOSA-N 396.462 3.059 0 1 GGAF COc1cc(C=CC(=O)O)ccc1Oc1c(C=CC(=O)O)ccc(O)c1OC 2356509917 GOQCNANTYPXENH-UHFFFAOYSA-N 386.356 3.397 0 1 GGAF CC(=O)Nc1nc2c(N(C)C)nc(C(F)(F)F)nc2n1Cc1ccc(C)cc1 29330274 PWJFDNHZCOSAGW-UHFFFAOYSA-N 392.385 3.226 0 1 GGAF CCCCC/C=C\C/C=C\C[C@@H](O)[C@H](O)C/C=C\CCCC(=O)NCCO 34961992 VBCWCYKNZSTKQW-APLXQOAKSA-N 381.557 3.406 0 1 GGAF COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2O)cc1OC 14436918 OWLCCNGNZSCNOM-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic COc1cc(OC)c([C@@H]2CC(=O)c3cc(OC)c(OC)c(OC)c32)c(OC)c1 40414165 SDTXSAFDNHXCCL-CYBMUJFWSA-N 388.416 3.457 0 1 GGAF COCC(=O)N1N=C(c2cc(F)ccc2F)S[C@]12CCOc1ccccc12 142144092 QGQBTWIQMUMLAZ-IBGZPJMESA-N 390.411 3.484 0 1 GGAF O=C(c1ccc(OCCF)cc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 149004018 IFODPKAUKPXEIQ-DHIUTWEWSA-N 397.490 3.458 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C(=N)N)cc3[nH]2)cc1 587040781 BQHNDGADZCHTSW-QGZVFWFLSA-N 395.488 3.133 0 1 GGAF COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5ncc(N)cn5)nc4c3)o2)cc1 587253037 YOIBBYSXSVPPOE-UHFFFAOYSA-N 385.387 3.328 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCCO 587596807 PEGVMXSPYKAOPZ-UGKGYDQZSA-N 378.380 3.466 0 1 GGAF CCOC(=O)[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585526 FJJZYJYHMQUVON-GCJKJVERSA-N 391.379 3.207 0 1 GGAF COC(=O)c1cc(Br)c2[nH]c(-c3cnc([C@@H](C)O)s3)nc2c1 587021192 GHGYUXNFJTWWSK-ZCFIWIBFSA-N 382.239 3.289 0 1 GGAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)cc2N1 587125226 RAPUBDKWSLEGJF-XPTSAGLGSA-N 392.385 3.436 0 1 GGAF COc1ccc(-c2nnc(-c3ccc4nc(CC5OCCO5)[nH]c4c3)o2)cc1 586907020 BZSHDDMRDAFWIP-UHFFFAOYSA-N 378.388 3.204 0 1 GGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2nc(Br)c[nH]c-2n1 586915454 DGFVAUJBORQWGH-DIFFPNOSSA-N 387.237 3.283 0 1 GGAF CCCCNc1nc(N)nc(C)c1CCCN1CCN(c2ccccc2)CC1 1772614121 FMBMOSNZZYHHJM-UHFFFAOYSA-N 382.556 3.334 0 1 GGAF Cc1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)no1 11818344 UYRUKRQPJMXDRQ-AWEZNQCLSA-N 395.381 3.057 0 3 GGAF Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@@H]32)n1 169701354 KFXKNWZMYLECKX-QAPCUYQASA-N 376.485 3.474 0 1 GGAF COc1ccc(CN(C)c2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1 202609697 ANWJOPYKIWKVNH-UHFFFAOYSA-N 375.476 3.388 0 1 GGAF CN(C)S(=O)(=O)c1ccc(CCNC(=O)CCCCc2ccccc2)cc1 1857557340 VDSIICKIXYWOMW-UHFFFAOYSA-N 388.533 3.009 0 1 GGAF CC(=O)N1CCc2c(c(-c3cccc4cnc(O)cc34)nn2C2CCOCC2)C1 1857642527 YKJKWNGJFSTOKG-UHFFFAOYSA-N 392.459 3.060 0 1 GGAF CCOC(=O)c1c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)sc2c1CC[C@@H](C)C2 1298439 FABZOJQAWLJUQV-APLKWVCFSA-N 385.485 3.361 0 1 GGAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4055043 SMLVJMLNNXNRJB-NJAPINKUSA-N 375.856 3.091 0 1 GGAF CN1C[C@H](C(=O)OCCO)C[C@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]21 29482939 UGSVTHLCYAINLK-PBEJRMEISA-N 382.504 3.252 0 1 GGAF COC1=C(OC)C(O)=C2C3=C4C(=C[C@H](OC)[C@@H]3OC)CCN(C)[C@H]4CC[C@H]2C1 2356579921 LHDMAYOUGWKLGP-NRRZZMFMSA-N 389.492 3.087 0 1 GGAF CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)n2c1nc1c(c2=O)C=CC=CO1 72107868 UOBOWSHNMYJJFQ-OLMNPRSZSA-N 377.444 3.163 0 1 GGAF in-vitro CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C)cc1 72137753 BVNNYQFBVOYTPB-LJQANCHMSA-N 389.448 3.369 0 3 GGAF CCN(CC)c1nc(NCCNC(=O)c2ccccc2OC)c2ccccc2n1 40465733 BMPZSRSVISJGCG-UHFFFAOYSA-N 393.491 3.327 0 1 GGAF COC(=O)[C@@H]1CCCCN1Cc1ccc(/C=C2/C(=O)Nc3ccc(F)cc32)o1 95562513 HXPWJWOPMQAGGM-OXRZLYTFSA-N 384.407 3.439 0 1 GGAF COc1ccc(C=O)c2cc(-c3nc4c(S(=O)(=O)N(C)C)cccc4[nH]3)oc12 586902958 DGJRBCKPWCCXGX-UHFFFAOYSA-N 399.428 3.048 0 1 GGAF O=C(O)c1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1F 587084952 LEMAHHJOILWENZ-UHFFFAOYSA-N 375.791 3.228 0 1 GGAF CCn1cc(Br)c(Cc2nc3ccc(Br)nc3[nH]2)n1 587002169 XFMQSHBMJVPIAK-UHFFFAOYSA-N 385.063 3.290 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc(F)cc12 587568633 HZIYZWMJHIZCTR-UTKZUKDTSA-N 377.327 3.341 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCO)cc1Br)O2 587375668 FCUUHOYMUMJPAN-QGZVFWFLSA-N 392.249 3.417 0 1 GGAF COC(=O)[C@@H]1SCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587376697 XVYOZECKCCGMCD-XKGZKEIXSA-N 388.416 3.308 0 1 GGAF COC[C@H](C)Oc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)ncc12 1772650437 ANFCAHFZTVTPAQ-NWDGAFQWSA-N 387.415 3.393 0 1 GGAF CC(C)C[C@@H]1C[C@H](C)[C@@]2(C(=O)Nc3ccc(F)cc32)N1C(=O)c1cn(C)cn1 1772589545 WAFNVKVWBPXGHK-QDUSTFBWSA-N 384.455 3.304 0 1 GGAF CC(=O)O[C@@H]1[C@@H](NC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C 5962517 JJNKLEBFZOYUFU-AZUAARDMSA-N 387.432 3.099 0 1 GGAF CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1 169697003 CXLYWFQWNGCVEG-HDICACEKSA-N 384.524 3.425 0 1 GGAF CCCCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 169721739 HCMZJNAMDZOHMA-UHFFFAOYSA-N 378.494 3.150 0 1 GGAF OC12C[C@H]3C[C@@H](C1)CC(Nc1nc(N[C@H]4CC[C@H](O)CC4)ncc1Cl)(C3)C2 101143602 CPNVJHSWNCPSIP-RPMOLYCXSA-N 392.931 3.341 0 1 GGAF CN(C)S(=O)(=O)c1ccc(CCCC(=O)NCCCc2ccccc2)cc1 1857597495 PFHVSQXEUYQANS-UHFFFAOYSA-N 388.533 3.009 0 1 GGAF CCN1CCN(c2cc(Nc3nc(-c4cccnc4)cs3)nc(C)n2)CC1 1857613436 NDODXTWQIWRLJN-UHFFFAOYSA-N 381.509 3.189 0 1 GGAF Cc1csc2ncnc(N[C@H]3Cc4ccc(C(=O)N5CCOCC5)cc4C3)c12 602437 IDCRQTHLXZYHGT-KRWDZBQOSA-N 394.500 3.051 0 1 GGAF COc1ncc2nc(-c3ccc(F)cc3)c(=O)n(Cc3ccc(F)cc3)c2n1 4238591 IRGPUFWIWZMXFN-UHFFFAOYSA-N 380.354 3.189 0 1 GGAF Cc1cc(C)cc(-n2c(C)nc3cc(C(=O)NCCN4CCOCC4)ccc32)c1 20677440 MGCDSQCVJMOPRZ-UHFFFAOYSA-N 392.503 3.013 0 1 GGAF O=C(NC1CCCCC1)[C@@H](NC(=O)n1nnc2ccccc21)c1ccccc1 28103730 QAGRMALBUUFMKX-IBGZPJMESA-N 377.448 3.179 0 1 GGAF C[C@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)NC13CC4CC(CC(C4)C1)C3)C(=O)N2 102948711 RHWLBKOVCMUYOM-BZHVMORDSA-N 380.488 3.100 0 1 GGAF CC(=O)c1c(OCCN2CCOCC2)nn(-c2ccc(Cl)c(Cl)c2)c1C 35943097 FFDSTJZVYSACEY-UHFFFAOYSA-N 398.290 3.401 0 1 GGAF CCC(=O)C(CCCCCCOc1ccc(S(N)(=O)=O)cc1)C(=O)CC 32138839 JDDKLWIAXNZHSA-UHFFFAOYSA-N 383.510 3.238 0 1 GGAF COc1ccc(-c2ccc3c(c2)n2ncc(C(=O)c4ccco4)c2n[n+]3[O-])cc1 71295712 ZROMELGOJUZSCU-UHFFFAOYSA-N 386.367 3.016 0 1 GGAF COc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=N)N 84710772 CERAYANEDWFHLT-UHFFFAOYSA-N 399.520 3.425 0 1 GGAF Cc1cc(NCCC(=O)Nc2ccccc2)nc(NCCc2cccnc2)n1 45302376 ZPIUHQZWPJNGHA-UHFFFAOYSA-N 376.464 3.275 0 1 GGAF COc1cc(OC)cc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)c1 221950090 SEXORTRSFJQYEV-GOSISDBHSA-N 396.226 3.423 0 1 GGAF CC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\[C@H]4O[C@@H]4C)[C@@](C)([C@]34CO4)[C@@]2(C)CC1 85562869 TWNZVTVBOFBEQD-NJDNSOFLSA-N 386.488 3.491 0 1 GGAF CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)N2CCCCC2)cs1 82088099 LWSVIAWJQHVZGI-UHFFFAOYSA-N 387.505 3.293 0 1 GGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CN(CC)C(=O)CC2CC2)cc1 95871798 IREHRFLGAGLLSH-YNPHWHAOSA-N 384.520 3.044 0 1 GGAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc(N(C)C)n1 587752193 CYAPFGGPFSALQC-JDNHERCYSA-N 379.277 3.376 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(CCN(C(C)=O)Cc4cc(F)ccc41)[C@@H](C2)C3=O 587430176 YZCXCDLYILTXCY-PGRDOPGGSA-N 381.403 3.229 0 1 GGAF COC(=O)c1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2n1 587082827 XQZKOXKCXUQCAR-UHFFFAOYSA-N 383.795 3.298 0 1 GGAF Brc1cnc2c(-c3nc4cncc(Br)c4[nH]3)cnn2c1 587006171 JJDIQAIHAJOFHI-UHFFFAOYSA-N 394.030 3.193 0 1 GGAF COc1ccc(S(=O)(=O)Cc2nc3cc(Br)c(F)cc3[nH]2)cc1 586920601 NSMLIYDJJKRLIG-UHFFFAOYSA-N 399.241 3.447 0 1 GGAF Cc1ccc(-c2nnc(SCc3nc4ccc(C(=N)N)cc4[nH]3)n2C)cc1 586965415 KKGYWQSOGDIXOJ-UHFFFAOYSA-N 377.477 3.243 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=Cn3c(C=O)cnc32)N1 587774083 LFUIXUHQAZZSLZ-QGHHPUGFSA-N 376.229 3.249 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1[C@H]3C[C@@H]4[C@H]5[C@H]3[C@@H]2[C@@H]5C(=O)[C@@H]41 587829224 RDBXCEGEOKWHMZ-CEYXSHKXSA-N 388.280 3.275 0 1 GGAF CCOC(=O)Cn1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578566 RHHVNXINBOAMPU-DENIHFKCSA-N 393.395 3.460 0 1 GGAF COC(=O)c1cc(Cl)c2[nH]c([C@@]3(N)CCc4cc(OC)ccc4C3)nc2c1 587246654 IITOMGUPDSEEHE-HXUWFJFHSA-N 385.851 3.354 0 1 GGAF CCn1cc([C@@]2(c3ccccc3)NCCc3ccc(C(=O)N(C)C)cc32)c(C)n1 962931751 PGIGBUSBGZFKRZ-DEOSSOPVSA-N 388.515 3.351 0 1 GGAF C[C@@H]1CC2(C[C@@H](C)N1C(=O)OC(C)(C)C)N[C@H](C(=O)O)Cc1cc(F)ccc12 962890167 BYXJNOSZBPLTPD-XNJGSVPQSA-N 392.471 3.428 0 1 GGAF Oc1nc(N2CCCC2)nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1 1772649295 BHNBNALSZLJMEI-CYBMUJFWSA-N 396.520 3.223 0 1 GGAF Cc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 5066938 GCUJBULPMFJHJA-SFHVURJKSA-N 395.484 3.335 0 3 GGAF COc1cccnc1-n1c([S@](=O)Cc2ccccc2N(C)C)nc2c1CCC2 13746214 ZPDAPNYKYXQOTD-NDEPHWFRSA-N 396.516 3.138 0 1 GGAF Cc1cn2c(-c3cn[nH]c3)cnc2c(=Nc2cc(Cc3nccs3)ns2)[nH]1 1857759555 FDAYFBMHMNYSCR-UHFFFAOYSA-N 394.489 3.097 0 1 GGAF Cc1c(C(=O)N2CCC(C)CC2)oc2ccc(S(=O)(=O)N3CCCC3)cc12 2459944 OFDVPZUKEFCILY-UHFFFAOYSA-N 390.505 3.398 0 1 GGAF Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1 4001699 YOIGDNQMUUNNLE-PXAZEXFGSA-N 391.493 3.401 0 3 GGAF N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)=C(O)O 100388585 STTXIFQWFZDSLB-QGZVFWFLSA-N 390.443 3.163 0 1 GGAF endogenous,in-vitro O=c1[nH]c2ccc(Cl)cc2n1C1CCN(C[C@@H]2COc3ccccc3O2)CC1 27886947 HBTWNIAGCVADEP-MRXNPFEDSA-N 399.878 3.460 0 1 GGAF COc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccccc32)CC1 28866146 VJMHUOSOEAGNQW-UHFFFAOYSA-N 379.504 3.187 0 1 GGAF in-vivo CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ncccc1Cl 27317181 KDCZTKXILGUIHT-OAHLLOKOSA-N 391.880 3.144 0 1 GGAF CCCCc1c(OC(C)=O)c2cccnc2n(-c2cccc([S@](C)=O)c2)c1=O 26264365 BDXDUDIRHJBMDE-MUUNZHRXSA-N 398.484 3.391 0 1 GGAF C[C@@H]1CC[C@H]2CC3=C(C(=O)O)[C@H](O)C[C@]31[C@@]2(C)CNC(=N)NC1CCCCC1 2356769398 CRYRHDNRSJLOHC-WKJRMKOISA-N 389.540 3.021 0 1 GGAF CO[C@]12C[C@@H]3C(=O)CC[C@H](C)[C@@]3(C)[C@@H](OC(=O)C=C(C)C)C1=C(C)C(=O)O2 2356860240 UDAQXTOMMRTMKH-XOUURQPXSA-N 376.449 3.106 0 1 GGAF O[C@@H](CN1CCN(C/C=C/c2ccccc2)CC1)Cn1ccc2ccccc21 40847047 GYTNYRGVRBYSAX-CJHOVAGGSA-N 375.516 3.333 0 1 GGAF O=c1cc(N2CCOCC2)[nH]c(Cc2nc3cccc(-c4ccccc4)c3o2)n1 84758497 BPJRFZYPRAUEAA-UHFFFAOYSA-N 388.427 3.006 0 1 GGAF CC(=O)N1C[C@@H](CO)[C@@H](N(C)C(=O)/C=C/c2ccccc2)C[C@H]1c1ccccc1 199736732 DAWZJULBQOKTGU-BPWIBHAJSA-N 392.499 3.129 0 3 GGAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H](C(C)=O)C[C@H](O)[C@]32O)C1 255200952 BTNNVJKPKCBODD-TVFXNNBBSA-N 390.520 3.172 0 1 GGAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1ccncc1 261125657 KDXXAIIRDRGBGE-KRWDZBQOSA-N 395.390 3.237 0 1 GGAF COc1ccc(C[C@@H](C)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1OC 587927428 UOKFAVXHHGKQMC-LLVKDONJSA-N 376.434 3.173 0 1 GGAF Cc1c(I)cnn1[C@@H](C)c1nc2c(Cl)ccnc2[nH]1 587181971 JMYMDTVXENQDIL-ZETCQYMHSA-N 387.612 3.330 0 1 GGAF COC(=O)[C@@H]1CC(OC)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587809801 JKJVODFBAAHIJD-YHYSRRTLSA-N 384.245 3.041 0 1 GGAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cnc4ccccc4c3[nH]2)s1 587024270 SBQWGPFMYQIGII-UHFFFAOYSA-N 382.449 3.322 0 1 GGAF O=S(=O)(c1ccc(Cl)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1)N1CCC1 586955155 LAVJWPSURQDEMT-UHFFFAOYSA-N 387.852 3.154 0 1 GGAF CCS(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 587119188 QXLXCOWEQHRZQS-UHFFFAOYSA-N 398.410 3.498 0 1 GGAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2cccc(O)c2[nH]1)c1ccc(F)cc1 587169265 AAYKELKXGFFQJU-SFHVURJKSA-N 397.431 3.476 0 1 GGAF C[C@@]1(c2cccnc2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587751 OFTCXIVLUDNKOP-KKSFZXQISA-N 377.352 3.362 0 1 GGAF CCOC(=O)CNc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587509361 CGGCGQXGVVNPNU-SFHVURJKSA-N 381.432 3.037 0 1 GGAF COC(=O)c1ccccc1NC(=O)CSc1nc2ccc(N(C)C)cc2[nH]1 1772646063 JWXXOMREZHTFQC-UHFFFAOYSA-N 384.461 3.146 0 1 GGAF NC(=O)c1cc(Cl)c2c(Cl)c([C@H]3CCCO3)n([C@H]3CCCNC3)c2n1 1772586271 NPHICJWCOYEVRI-JOYOIKCWSA-N 383.279 3.218 0 1 GGAF CCOC(=O)CNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 13833879 SUINSFHKXYSEPL-UHFFFAOYSA-N 398.415 3.219 0 1 GGAF CC(C)Cn1cc(C(=O)NCc2ccccn2)c2c3ccccc3n(C)c2c1=O 2466240 NGAAJKQDOOPZKT-UHFFFAOYSA-N 388.471 3.474 0 1 GGAF Cc1cc(C)cc(-n2c(SCC(N)=O)nc3c4ccccc4nc-3c2O)c1 100086876 HLNLRZPOBGGQIH-UHFFFAOYSA-N 378.457 3.425 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)c4cncc(Cl)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632493 IWIPFHPMQACIHG-LRDDRELGSA-N 387.892 3.409 0 1 GGAF CC[C@@]1(O)C(=O)Cc2c1cc1n(c2=O)Cc2cc3cc(C)c(Cl)cc3nc2-1 26648118 GOCSHQKDKWZYDA-NRFANRHFSA-N 380.831 3.110 0 1 GGAF CCN(c1ccc(C(=O)O)cn1)c1ccc2c(C(F)(F)F)cc(=O)n(C)c2n1 58581325 OWULAYJCSWMSCZ-UHFFFAOYSA-N 392.337 3.204 0 1 GGAF O=C(O)C[C@@H]1CCN(Cc2cccc(F)c2)C[C@H]1Cc1nc2cnccc2[nH]1 2356302612 CZUMRUCBZKJUHI-JKSUJKDBSA-N 382.439 3.253 0 1 GGAF Cn1nc(C(C)(C)C)cc1NC(=O)[C@@]1(C)CCN1C(=O)CCc1ccccc1 61905219 ROCJIOQIKKREKM-JOCHJYFZSA-N 382.508 3.280 0 3 GGAF CC1CCN(C[C@H]2CN3CC[C@H]2C[C@H]3CNC(=O)Nc2ccsc2)CC1 2356536307 IUZYHWZODMTJGQ-LNLFQRSKSA-N 376.570 3.312 0 1 GGAF CC(=O)OC[C@@H](CCC=C(C)CO)CCC[C@@H](CO)CCCC1=CCOC1=O 2356682703 QOWNCLHFBMXMSV-UXHICEINSA-N 396.524 3.317 0 1 GGAF CCn1c(NC(C)(C)C)nc2c(-c3cc4c([nH]3)[C@@H](C)NC4=O)cccc2c1=O 222470883 BRUNMKAHHCQBLZ-LLVKDONJSA-N 379.464 3.426 0 1 GGAF Cc1ccccc1Nc1nc(N2CCOCC2)nc2c(NCC3CC3)ncnc12 84635674 JUXAOIHETZHGAN-UHFFFAOYSA-N 391.479 3.130 0 1 GGAF COc1cc2nc(N3CCOCC3)nc(NCCc3ccccc3)c2cc1OC 82128519 MYNSIPQZVIKGPA-UHFFFAOYSA-N 394.475 3.138 0 1 GGAF C[C@H]1CN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)C[C@H](C)O1 95577272 GGCCHWPSILXJPI-RYUDHWBXSA-N 376.844 3.018 0 1 GGAF O=C1C(=O)N(Cc2cnnn2-c2ccnc3cc(Cl)ccc23)c2ccccc21 95592067 CQQNVIIOWMOFSJ-UHFFFAOYSA-N 389.802 3.198 0 1 GGAF O=C(CCCOc1cc(=O)oc2ccccc12)N1CCN(c2ccccc2)CC1 96271535 SOZXYTKALVQKGY-UHFFFAOYSA-N 392.455 3.301 0 1 GGAF COc1ccc(-n2cnc3c(sc4ncnc(NC5CC5)c43)c2=O)cc1F 95561410 FLQKGFWFUSDDFD-UHFFFAOYSA-N 383.408 3.112 0 1 GGAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O 299878859 JWAXXTVDUIEOLY-RCCFBDPRSA-N 375.469 3.078 0 1 GGAF CNC(=O)[C@H]1CC[C@H](Nc2cc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1 299850971 DLBNZKGJZYSGJF-CTYIDZIISA-N 396.516 3.379 0 1 GGAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 586951666 UBRRWSVLXDKMPE-UHFFFAOYSA-N 378.266 3.068 0 1 GGAF CCOC(=O)C(=O)C[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596352 NXFMUTIMJOHNQJ-XMSQKQJNSA-N 396.395 3.025 0 1 GGAF CC[C@@H](c1nc2cc(OC)ncc2[nH]1)n1cc(I)c(C)n1 587185096 PXHFEGGQHMIRPN-LBPRGKRZSA-N 397.220 3.075 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc3c2NCCO3)N1 587799025 VVEAXLPXXKDMDY-ABKXIKBNSA-N 378.245 3.411 0 1 GGAF CCOC(=O)[C@@H](OC(=O)c1ccccc1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399379 JOXQLBBDRVBUOR-DENIHFKCSA-N 397.427 3.090 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2ccnn2C)N1 587757302 GYTNCUKSNLXUEV-XCGBKTJRSA-N 393.304 3.175 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cc(O)c(Br)cc1O)[C@@H](C2)C3=O 587411674 FXPSJFZIAORZHI-DYZYQPBXSA-N 377.190 3.358 0 1 GGAF CCCOc1cc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c2cc1Br 587254796 ZYDXRAVTHGKCJA-UHFFFAOYSA-N 380.242 3.119 0 1 GGAF C[C@@]1(c2ccc(Br)c(N)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962916265 CNZLPAFWOSJLMF-YOEHRIQHSA-N 379.229 3.033 0 1 GGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCc1ccccc1F 2492929 BQGZXDYOIJLJBL-UQBMCXILSA-N 376.472 3.194 0 1 GGAF Cc1cc(-c2cnn(C)c2)cc([C@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)n1 1772622817 ZERBYEGVAVBBON-HNNXBMFYSA-N 392.507 3.441 0 1 GGAF COc1ccc(Nc2oc3cc(=O)ccc-3cc2C(=O)NC[C@@H]2CCCO2)cc1 5447900 GKETXHKHJGXDQB-SFHVURJKSA-N 394.427 3.406 0 3 GGAF CCCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 5837982 VDVCEGADBLZSHB-UHFFFAOYSA-N 387.455 3.096 0 1 GGAF CCOC(=O)C[C@H]1CCc2cc(NC(=O)c3ccc(C(=N)N)cc3)ccc2C1 13914797 DXZOOERHROKAKU-AWEZNQCLSA-N 379.460 3.281 0 1 GGAF C[C@@H](O)c1cc2c(c3ncccc13)NS(=O)(=O)N(C)[C@@H]2c1ccc(F)cc1 205639041 OXSHPRQRTWXUSL-NSPYISDASA-N 387.436 3.119 0 1 GGAF CCN1CCN(c2cc(Nc3ncc(-c4ccncc4)s3)nc(C)n2)CC1 1857575923 MBWHJBDHRADERX-UHFFFAOYSA-N 381.509 3.189 0 1 GGAF O=C([C@H]1Cc2cc(Cl)cc(-c3ccnc4ccsc34)c2O1)N1CCNCC1 1911575942 SSIWAASKJNDWDE-QGZVFWFLSA-N 399.903 3.352 0 1 GGAF COc1cccc(Cc2c(N3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)c1 28708018 CEFBOQVQPHEMKD-UHFFFAOYSA-N 391.471 3.047 0 1 GGAF COc1cc2c(cc1OC)[C@H](CN1CCN(c3ccccc3OC)CC1)OCC2 27883983 KBWQXGNAEDAQPP-QHCPKHFHSA-N 398.503 3.148 0 1 GGAF CCCCC[C@](C)(O)C=C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1CC=C=CCCC(=O)OC 2356756722 GNIYHUSSKSFYBD-IUSNSJHASA-N 380.525 3.286 0 1 GGAF Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]2c2nc(-c3ccccc3)no2)c1 218054352 OWNQFGPYILQQFP-SFHVURJKSA-N 386.415 3.213 0 1 GGAF C[C@]1([C@@H](O)c2ccc(F)cc2)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O 72176208 NLSDOKOJLSETRR-WMLDXEAASA-N 382.819 3.332 0 1 GGAF COc1ccc(CNC(=S)[P@](=O)(O)[C@H](N)CCc2ccccc2)cc1 40866086 BJGMBDNUDGJYDR-KRWDZBQOSA-N 378.434 3.258 0 1 GGAF CC(C)CN1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2Cl)CC1=O 43205881 ZAKLBLDWTDQACM-LBPRGKRZSA-N 376.806 3.480 0 1 GGAF O=C(Nc1ccn(S(=O)(=O)Cc2ccc(F)cc2Cl)c1)c1ccccn1 198496704 SBUHILQFLYGCOQ-UHFFFAOYSA-N 393.827 3.306 0 1 GGAF Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(CCCCCN(C)C)cc1 199941368 SFBXFQFPPYDGMM-UHFFFAOYSA-N 392.569 3.136 0 1 GGAF Cn1cc(-c2cc(OCCO)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144856397 OSBBJDNGAVKGAO-IBGZPJMESA-N 390.361 3.237 0 1 GGAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN[C@H]2CCC[C@H](N3CCCC3)[C@H]21 144398155 LWDJYEJRZVMWMH-BJLQDIEVSA-N 396.362 3.353 0 1 GGAF Cc1c(F)cccc1NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1 95590267 VHHSYHKBEDYOKU-UHFFFAOYSA-N 389.408 3.012 0 1 GGAF CCCc1c(O)ccc2c1O[C@H](CCCNC(=O)C1CCOCC1)CC2=O 587471377 RFLDRNBFLTVDIR-OAHLLOKOSA-N 375.465 3.002 0 1 GGAF COC(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1OC 587074964 CFFCUJKHCKRQLV-UHFFFAOYSA-N 383.795 3.259 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NC[C@H]1CCCO1 587863307 GBTDNMFYUPQYLN-LLVKDONJSA-N 385.411 3.479 0 1 GGAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)cc2N1 587124579 MVNIHMPLWDXUDI-FUXBKTLASA-N 392.341 3.065 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@@H](C(=O)c1ccccc1C(F)(F)F)NCC2 962927300 PZHUMTVPPQJARN-KRWDZBQOSA-N 376.378 3.477 0 1 GGAF O=C(Cc1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1)NCc1ccccc1 1772644763 PQEUUIPIJGRXTL-UHFFFAOYSA-N 398.470 3.338 0 1 GGAF O=C(NC1CC1)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1 12482383 YMYRABYOWCTMON-KBXCAEBGSA-N 399.409 3.487 0 3 GGAF CNC(=O)C(=O)CCCCCCS(=O)(=O)c1ccc(-c2ccccc2)cc1 13553325 QLQBBQADEGTADY-UHFFFAOYSA-N 387.501 3.393 0 1 GGAF Cc1nn(-c2cccc(F)c2)c2c1[C@@H](c1cccc(F)c1)CS(=O)(=O)O2 1857588885 AGSVGWVRTUJDEL-MRXNPFEDSA-N 376.384 3.313 0 1 GGAF O=C1c2c(O)cc(O)c3c2[C@@H]2[C@H](Oc4ccccc4[C@@H]2[C@H]1O)c1cccc(O)c1-3 2356449337 JFOHOILWNMBZGW-JNHGLSHCSA-N 388.375 3.342 0 1 GGAF Cc1c(N2C[C@@H]3CCCC[C@]3(N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520969 PJNTUTHVPWKBJA-FPTDNZKUSA-N 399.466 3.030 0 1 GGAF O=C(CN1C(=O)[C@H](c2ccccc2)Oc2cccnc21)NCc1ccccc1F 6796443 XFIUKVFGYNGDOJ-FQEVSTJZSA-N 391.402 3.004 0 3 GGAF COc1cc2c(cc1OC)CC(=O)N(CCCNCCOc1ccccc1)C=C2 26395766 RPRZGFJXAPVVAM-UHFFFAOYSA-N 396.487 3.118 0 1 GGAF CN1C2=CC=CN(CCc3ccc(O)cc3)C2=Nc2ccccc2S1(=O)=O 28637413 WXUIODXVOOJVKQ-UHFFFAOYSA-N 381.457 3.012 0 1 GGAF CCOP(=O)(OCC)[C@@H](c1cc(OC)c(O)c(OC)c1)N1CCOCC1 26821162 JHZYVVVAGLORLH-KRWDZBQOSA-N 389.385 3.006 0 1 GGAF CC(C)[C@H]1CNC(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1 116188979 DDHUEPOQKPZMNO-QGZVFWFLSA-N 387.447 3.341 0 1 GGAF Cc1ccc(Cn2c([S@@](C)=O)nc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 29330261 UQAFZDFJGDHPIJ-MHZLTWQESA-N 397.426 3.005 0 1 GGAF C[C@@H](C(=O)OCCOCCO)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 39308695 BOAYZUJJJASQQY-PVAVHDDUSA-N 392.517 3.437 0 1 GGAF COc1ccc(-c2nc3c(C(=O)Nc4cnccn4)cccc3[nH]2)cc1OC 71329116 LVKGOBJMDJCSCC-UHFFFAOYSA-N 375.388 3.289 0 1 GGAF Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2Cc2cccc(CC(=O)O)c2)c1 38447060 PLTQLAIXNAHXJI-PCBIHFGQSA-N 393.483 3.273 0 1 GGAF Nc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1N1CCc2ccccc2C1 49733999 RFOLYWFGLXRHPC-UHFFFAOYSA-N 375.428 3.180 0 1 GGAF Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)NCc3ccco3)co2)cc1 82072727 RTDLPFNFYZFRFI-GOSISDBHSA-N 379.416 3.164 0 1 GGAF CN(C[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21)C(N)=O 49048196 RAMYSUYACXEDTH-AWEZNQCLSA-N 376.453 3.089 0 1 GGAF Cc1ccccc1OC[C@H]1CN(CC(=O)N2c3ccccc3C[C@H]2C)CCO1 222446423 HHTOEBWSVPCHMS-UYAOXDASSA-N 380.488 3.052 0 1 GGAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccccc3)no2)CC1 147398232 BEFOLLREIRIOST-FZNQNYSPSA-N 378.498 3.035 0 1 GGAF O=C1NCCCOCc2cn(nn2)CC[C@@H]1Cc1ccc(-c2ccccc2)cc1 95662053 IAEAQIDJNDWKKV-OAQYLSRUSA-N 390.487 3.231 0 1 GGAF CN1[C@H](C(=O)NCC2CC2)C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]21 253961054 OMJFUEODJCESQQ-HNHYXYPQSA-N 379.291 3.244 0 3 GGAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)n1 587119362 SZZFZXIBIXAOSB-UHFFFAOYSA-N 376.264 3.464 0 1 GGAF COc1cc(Br)c([C@@H](N)c2nc3cc(Cl)cnc3[nH]2)cc1OC 586976479 UTHIQNVEAJKFPC-CYBMUJFWSA-N 397.660 3.439 0 1 GGAF CC1=C[C@@]2(CC(=O)N1C1CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581908 JPRNIZMZAQHRFF-UGKGYDQZSA-N 377.396 3.391 0 1 GGAF COC(=O)c1cc2[nH]c([C@H](O)c3ccc(Br)cc3)nc2cc1OC 586997087 MQLJRCUBFYFSAN-OAHLLOKOSA-N 391.221 3.202 0 1 GGAF Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N(C)C)n1 587573887 UYVNYBKBXDCGOG-PXNSSMCTSA-N 377.400 3.260 0 1 GGAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4ccccc4[nH]3)cccc12 586941660 MBKRQTQHQNQFOH-UHFFFAOYSA-N 380.473 3.261 0 1 GGAF O=S(=O)(CCc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc2c(c1)CCC2 586921925 IBRSBPLDLXAVMG-UHFFFAOYSA-N 398.484 3.229 0 1 GGAF Cn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(N)=O 587344116 VXNGPWXUEGXOJH-UGKGYDQZSA-N 394.402 3.243 0 1 GGAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(F)cc(Br)c2[nH]1 586949865 DMWYJTFQFJMHOY-UHFFFAOYSA-N 398.257 3.427 0 1 GGAF CC(C)OC(=O)C1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)CC(F)(F)C1 587132007 ZSSSGHFWZDKKIU-UHFFFAOYSA-N 393.434 3.014 0 1 GGAF Cc1c([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cnn1-c1ccccc1F 963025113 JMTYLVRJKQEYNP-FPTDNZKUSA-N 376.435 3.463 0 1 GGAF COc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cnc1Cl 962972389 UQGYSIOIOFIMMS-YGRLFVJLSA-N 389.185 3.364 0 1 GGAF COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1 13490296 BCHIMBJKORTZTR-NRFANRHFSA-N 397.519 3.376 0 1 GGAF O=C1NC(=O)C(c2cn(CCCO)c3ccccc23)=C1c1c[nH]c2ccccc12 13554115 YNQONPYZDIKVFM-UHFFFAOYSA-N 385.423 3.072 0 1 GGAF NC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccc(Cl)cc1 207739855 YOABBGLCCJMZAU-SFHVURJKSA-N 399.878 3.358 0 1 GGAF CC(=O)O[C@@H]1[C@H](OC[C@@H](C)C(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 2356347344 GMHDTFBUYSRCCK-HDZZMESHSA-N 388.416 3.179 0 1 GGAF c1ccc2c(=NCCCN3CCOCC3)cc(-c3ccc4c(c3)OCO4)[nH]c2c1 1911570863 YWDYJVYTAREDEU-UHFFFAOYSA-N 391.471 3.187 0 1 GGAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2c1ccc(F)c2N1CCOCC1 28964852 JYYDBVOVDJIMDV-GOSISDBHSA-N 395.438 3.348 0 1 GGAF COc1ccc(/C=C/C(O)=C2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1 101701790 JLDIPDBNBIRZEQ-TWPIONJBSA-N 396.443 3.489 0 3 GGAF COc1ccc(CCO[C@H]2CCCC[C@H]2N2CC[C@H](OC(C)=O)C2)cc1OC 115041226 RUPYYTQCIFYKNJ-ZCNNSNEGSA-N 391.508 3.212 0 1 GGAF CCOC(=O)C1=NO[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 28962008 KABGQMNIONMFQJ-QFIPXVFZSA-N 393.487 3.389 0 1 GGAF C[C@]1(O)CCN(C(=O)C2CC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 2356706083 RCWPBTWKZRVOCB-JTAQYXEDSA-N 396.462 3.059 0 1 GGAF C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@]2(O)[C@H](OC(C)=O)CC[C@@H](C)[C@]12C 14808172 LHSDHMPOZLNSQN-VYPBXKKWSA-N 390.432 3.044 0 1 GGAF biogenic O=C(OCc1cccs1)c1cnn2c1n[n+]([O-])c1ccc(-c3ccco3)cc12 71295216 OFRNBOSQALNXPR-UHFFFAOYSA-N 392.396 3.194 0 1 GGAF O=C(c1ccc(C2CC2)c(OCC2CC2)n1)N1CC[C@H]([C@H](O)C(F)(F)F)C1 146449035 UPFRRDUBZREZMS-BBRMVZONSA-N 384.398 3.133 0 1 GGAF Cc1cnc(C(=O)Nc2cccc([C@]3(C(F)(F)F)CCSC(N)=N3)c2)cn1 147105772 WZPFEWICESTLJD-INIZCTEOSA-N 395.410 3.247 0 1 GGAF CCC(=O)N(C)C[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)CC 95895283 KZTYLXSVSOKJSS-MIZPHKNDSA-N 384.520 3.188 0 1 GGAF COc1cccc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1 149417071 ICTGQWRYTVZEMV-QHCPKHFHSA-N 392.455 3.234 0 1 GGAF CC(C)(C(=O)O)[C@@H](c1ccc(Nc2ccc(C(=O)O)cc2)cc1)n1cncn1 95563013 JDLUQANAFAMTPT-QGZVFWFLSA-N 380.404 3.420 0 1 GGAF CCCN1CCN(Cc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)CC1 230567247 YVJMOOXYCNUOQP-UHFFFAOYSA-N 387.549 3.323 0 1 GGAF C/C=C(/C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(C)=O 95618068 FFCDTHIJWHJUQJ-NXIDYTHLSA-N 386.400 3.446 0 1 GGAF endogenous,in-man Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3nc(O)c(C(=O)O)cc31)O2 587395595 RZBZVMZTDYCAGP-OAQYLSRUSA-N 382.416 3.209 0 1 GGAF C[C@@]1(c2cnc(C(=O)O)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337636 LZFYOXUZKXOGEV-RXVVDRJESA-N 394.358 3.294 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2cnn(C)c2)N1 587760980 ROIGPAFDGIOYDY-VVVCHXIZSA-N 390.260 3.335 0 1 GGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccnc(Br)c2[nH]1 587194646 WTXRBGYAXKLRRF-NSHDSACASA-N 398.305 3.238 0 1 GGAF CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cn3cccn3)c2)c2cnccc21 1772597911 GXTRNOSJJBYGDY-UHFFFAOYSA-N 388.431 3.078 0 1 GGAF COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)N(C)C)CC1 13764497 GEDPLZQOWAXARY-UHFFFAOYSA-N 396.535 3.021 0 1 GGAF COc1ccccc1[C@@H]1OC(=O)C[C@H]1C(=O)OC[C@@H]1CCCN2CCCC[C@@H]12 13815044 RLQUGMOZSOFTJC-DKXUYOFUSA-N 387.476 3.107 0 1 GGAF O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@H]1CC[C@@H](c2ccccc2)C1 169704973 FXMUKCRGKDOSMF-AEFFLSMTSA-N 394.475 3.484 0 1 GGAF O[C@H](CN1CCN(c2ccc(F)cc2)CC1)c1ccc(Br)cc1 209573762 NVJQBGMNXCVJKP-GOSISDBHSA-N 379.273 3.444 0 1 GGAF COc1cccnc1C1CCN([C@H]2CCCN(c3nsnc3C)CC2)CC1 1857555150 ANZNJWTUNQHDDQ-KRWDZBQOSA-N 387.553 3.489 0 1 GGAF O=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCN(C2CCCC2)CC1 103174731 HJWIYFILFVGNTO-UHFFFAOYSA-N 397.544 3.018 0 1 GGAF CO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1ccc(Br)cc1 103629929 CWNYZIMWALLJRU-MKVLZVNKSA-N 392.209 3.304 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc([C@@H](C)N3CCOCC3)cc1)C2 28334333 CQESHWHFRATISZ-QRQCRPRQSA-N 397.471 3.283 0 1 GGAF CC(=O)c1ccc(C)cc1OC[C@H](O)CN1CCN(c2ccccc2C)CC1 28636181 WRLCVPSRZYMWMM-HXUWFJFHSA-N 382.504 3.068 0 1 GGAF CCNc1nc(-c2ccc(C3CCNCC3)c(F)c2)cc2ncn(C)c(=O)c12 115621874 LGLZRXZYOXDYLF-UHFFFAOYSA-N 381.455 3.033 0 1 GGAF CC(=O)O[C@@H]1C[C@](C)(O)C=CC[C@@H](C)CC(=O)CC2=C[C@@H](OC2=O)[C@H]1C(C)C 2356509543 TUNXVTXNCGWNAQ-AXFVVHPYSA-N 392.492 3.129 0 1 GGAF N[C@@H](Cc1ccc(-c2ccc(O)cc2)cc1)C(=O)Nc1ccccc1C(=O)O 71341829 OJPOKJHIBDWWNX-IBGZPJMESA-N 376.412 3.266 0 1 GGAF C[C@H](O)c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1 49109421 VIOPFQOZMDFRIZ-NSHDSACASA-N 381.461 3.125 0 1 GGAF Cc1cccc(-c2nc(N3CCOCC3)ncc2C(=O)N2CCC(C)CC2)c1 82146448 IVRKTTYMOUEZLY-UHFFFAOYSA-N 380.492 3.161 0 1 GGAF CCOc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)NCc2ccco2)cs1 82070568 XTTKVGSSCFMEQR-CYBMUJFWSA-N 399.472 3.237 0 1 GGAF CN1C(=O)CC[C@@H]1COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144843479 SHASPRRXWFWZEL-BLVKFPJESA-N 377.362 3.465 0 1 GGAF CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCC2)[C@H]1CO 95864445 XLLDPXICDJKHRK-QGTPRVQTSA-N 393.325 3.340 0 1 GGAF CCC(=O)c1cccc2c1CCN1C(=O)CN=C(n3cnc(C4CCC4)c3)C=C21 149252658 CUXIMISANUNCKN-UHFFFAOYSA-N 388.471 3.429 0 1 GGAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(C)=O)[C@H]2CN(C(C)=O)C2CCCC2)cc1 95662291 XURLGSABKWDFQF-OKLUWZQDSA-N 384.520 3.186 0 1 GGAF COc1ccc(Nc2nc(-c3ccccn3)cc(N3CCC[C@@H](O)C3)n2)cc1 230560668 XWECTRWEVZKUOF-MRXNPFEDSA-N 377.448 3.252 0 1 GGAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C=O)C2=C1C(=O)C(C(C)C)=C(O)C2=O 32067563 UNANGSVPQLIDNW-SOHPYSCWSA-N 388.460 3.250 0 1 GGAF biogenic Cc1c(Br)cc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c1C 587205217 ZZZVSRAPLXBHHX-ZDUSSCGKSA-N 395.301 3.021 0 1 GGAF CC(=O)Oc1ccccc1C(=O)c1c(CO)oc2cc(Br)cnc12 587275962 HZKPQQNUVAEPLN-UHFFFAOYSA-N 390.189 3.239 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(F)cc12 587727838 DPZQLZJUCSGJJD-CQLKUDPESA-N 379.204 3.457 0 1 GGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(OC)cc(OC)c3[nH]2)cc1 587227873 ABOHGQRERGXEBZ-UHFFFAOYSA-N 398.419 3.079 0 1 GGAF COC(=O)Cc1ccccc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587783697 YYLNOHPOFNXWGR-UHFFFAOYSA-N 398.362 3.239 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H]1[C@@H]3C(=O)[C@H]4[C@@H]5C[C@@H]([C@@H]1[C@H]53)[C@H]42 587831288 WWYSVDIYKZGUEL-KXFJWTGPSA-N 388.280 3.275 0 1 GGAF Cc1ccnc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586988066 XLJSKYBFIKRCMO-UHFFFAOYSA-N 396.406 3.431 0 1 GGAF COc1ccccc1NC(=O)c1cc2n(n1)CCCN(C(=O)c1occc1C)C2 1772601115 ICNSKWDVPBXWSQ-UHFFFAOYSA-N 394.431 3.092 0 1 GGAF COc1ccc([C@H](CCN2CCOCC2)c2c(O)cc(OC)cc2OC)cc1 13661584 NHACQECAFIZZLB-IBGZPJMESA-N 387.476 3.272 0 3 GGAF COc1ccccc1OCC(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 14950258 CNQRVERNHNTVSO-OAHLLOKOSA-N 376.403 3.455 0 3 GGAF O=C(NC[C@H]1CCCO1)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 169295231 LDOBUKYHRLKRBG-VNQPRFMTSA-N 394.397 3.452 0 1 GGAF Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)n1 165590172 RIHMIJGXAWWJCF-UHFFFAOYSA-N 392.503 3.468 0 1 GGAF CC[C@H](C)C(=O)N1CC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 166839803 GRKBRUQQJDPCCN-HNNXBMFYSA-N 394.475 3.265 0 1 GGAF CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@](C(=O)OC)(C2)[C@H]13 101203063 DUFLXLVGASPEMV-BPYGGHBPSA-N 398.503 3.272 0 1 GGAF COc1cccc(C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)c1 28572797 VIQVRIBMZCHNNK-OAQYLSRUSA-N 385.423 3.241 0 1 GGAF COc1cccc(Nc2nnc(-c3c(NCc4ccncc4)ncn3C)o2)c1 28570285 LHXIQZMAQSEAOI-UHFFFAOYSA-N 377.408 3.229 0 1 GGAF Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cnoc4-c4ccccc4)C[C@@H]32)n1 116825525 RUTAJQSZMQXFES-HKUYNNGSSA-N 389.459 3.099 0 1 GGAF Cc1ccc(CN2CCN([C@H]3CCc4cccc5c4N(C3=O)[C@H](C)C5)CC2)cc1 22927124 DKBPJHJAUABOCD-XXBNENTESA-N 389.543 3.405 0 1 GGAF O=C1N(Cc2ccc(F)c(F)c2)c2ccccc2[C@@]1(O)c1ccc2c(c1)OCO2 71333486 WAPTXLDVFGSBRU-QFIPXVFZSA-N 395.361 3.476 0 1 GGAF COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Oc3c2ccc(OC)c3OC)c1 42878819 PHLKMJKEMSRSNQ-KRWDZBQOSA-N 384.384 3.056 0 1 GGAF CCCc1nc2c(NCc3cccs3)ncnc2n1CCCN1CCCC1=O 82179012 SLZWKECHLBMUAW-UHFFFAOYSA-N 398.536 3.465 0 1 GGAF COc1cc2nc(COc3ccc(F)c(C(N)=O)c3F)sc2nc1Cl 49116284 IYNQXUCYRYYHAU-UHFFFAOYSA-N 385.779 3.309 0 1 GGAF COC1CN(C(=O)c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)C1 143326644 BRNZXWSBTOZXOJ-UHFFFAOYSA-N 379.416 3.095 0 1 GGAF CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(OC)c(OC)cc14)[C@@H]32 40976374 KYSSJRZIVJUXLG-VABKMULXSA-N 396.487 3.238 0 1 GGAF biogenic COC(=O)c1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2n1 587201585 SXFQSEHJXYEQOT-UHFFFAOYSA-N 376.457 3.325 0 1 GGAF CC(C)(C)OC(=O)NCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660630 QSDVJPJAWPJZFX-UHFFFAOYSA-N 397.406 3.368 0 1 GGAF CC(=O)Oc1cc(OC(C)=O)cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587402704 GNIFJCIIVOYEGC-NRFANRHFSA-N 383.400 3.308 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cn1c(=O)oc2ccccc21 587587715 OCAKBILEQFFZMJ-OALUTQOASA-N 389.363 3.331 0 1 GGAF COc1nccc2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 169711700 CBOPHBIFARVRRZ-UHFFFAOYSA-N 390.422 3.205 0 1 GGAF COc1cc(/C=C2\C(=O)OC\C2=C\c2ccc3c(c2)OCO3)cc(OC)c1O 1857656873 VTIWVQQDYIMYSB-IZUVBVRISA-N 382.368 3.162 0 1 GGAF Cc1c(N2CCC[C@H](NC3CC3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520783 GBAQZLHLPDANSD-HNNXBMFYSA-N 399.466 3.043 0 1 GGAF CCc1nn(CCCC(=O)NCc2ccccc2C)c(=O)c2cc3occc3n12 6750353 JHNVBCMXOFMKHU-UHFFFAOYSA-N 392.459 3.210 0 3 GGAF COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCc2ccccc2C1 7005092 VUZRFOYESIITLH-UHFFFAOYSA-N 384.457 3.406 0 1 GGAF O=C(NCc1ccccc1)c1c[nH]c2nc(NCc3ccccc3)ccc2c1=O 28524017 USYBDHKDWAGJOV-UHFFFAOYSA-N 384.439 3.465 0 1 GGAF O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4CCC5)CC3)cc21 64539740 LJMGIPGFTXPVTB-UHFFFAOYSA-N 391.515 3.010 0 1 GGAF CC(=O)OC[C@]1(O)OC[C@]23CC[C@H]4[C@@H](CC=C5C[C@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 118932720 NMXQNNZLXKLLEI-FJQKCUGLSA-N 390.520 3.188 0 1 GGAF FC(F)(F)Oc1cccc(-n2nnc3ccc(NCC4CCNCC4)nc32)c1 73293825 OZAALIWIRMBCOR-UHFFFAOYSA-N 392.385 3.126 0 1 GGAF in-vitro COc1ccc([C@H](OCC(=O)N2CCSCC2)c2ccncc2Cl)cc1 45302746 SZPLCMOEHXHWKO-IBGZPJMESA-N 392.908 3.425 0 1 GGAF CCOC(=O)c1nn(CC)c(=O)c2nn(-c3c(Cl)cccc3Cl)c(C)c12 49784669 ZJALLMLKMUILFI-UHFFFAOYSA-N 395.246 3.394 0 1 GGAF CN1CC[C@]23Cc4nc5ccc(F)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 95560023 ULZVDEISMWPTIS-WXFUMESZSA-N 390.458 3.107 0 1 GGAF C[C@@]1(c2cc(NC(=O)c3ncc(Cl)cn3)ccc2F)C=CSC(N)=N1 147122696 XCAZAGTZQZZAAR-INIZCTEOSA-N 377.832 3.312 0 1 GGAF COc1ccc(CNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@H]5[C@@H]32)cc1 299875308 CSUXWMCNCBHXHE-ZYBYMMBBSA-N 385.504 3.310 0 1 GGAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(O)cc1 299875751 DKUQQVWAFYSFQU-LCPLJVAKSA-N 399.443 3.409 0 1 GGAF Cn1ccnc1[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576302 ILUAMGXGICTCHL-WMZHIEFXSA-N 399.406 3.426 0 1 GGAF CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587606952 KBQLMLFEMNBDRT-WIYYLYMNSA-N 396.420 3.499 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2cnn(C)c2)N1 587764422 PNTVOQWZJZXRJG-QGHHPUGFSA-N 380.261 3.344 0 1 GGAF Brc1c[nH]c2nc(-c3cnn4cccc(Br)c34)nc-2n1 587007234 XATUGZPCWDVZPK-UHFFFAOYSA-N 394.030 3.144 0 1 GGAF O=C(O)c1ccc(-c2cc(-c3nc4c(O)nc(O)nc4[nH]3)ccc2F)cc1F 587138250 DYSODXYISQYRLS-UHFFFAOYSA-N 384.298 3.075 0 1 GGAF O=S(=O)(Cc1nc2cc(F)cnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950162 AZGBQZPAXYMXAS-UHFFFAOYSA-N 389.456 3.029 0 1 GGAF CCOC(=O)[C@]1(CC(=O)CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587800472 XPEQDRAJBUHWNO-BMLIUANNSA-N 386.261 3.250 0 1 GGAF COc1cc(OC)c2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 587193708 FAHSLHYTHNXPCN-CYBMUJFWSA-N 378.473 3.098 0 1 GGAF COCCNC1=C[C@@]2(CC(C)(C)C1)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962731230 QIWSKBAEGSSUHP-PXNSSMCTSA-N 396.453 3.468 0 1 GGAF CCOC(=O)NC(=O)C[C@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962722049 YCHHXHOPKHKOPR-BFUOFWGJSA-N 380.485 3.067 0 1 GGAF Cc1ccccc1-n1cc(CNC(=O)CN2Cc3ccccc3O[C@@H](C)C2)cn1 12078494 JIDAKQVWEXOEDA-SFHVURJKSA-N 390.487 3.080 0 1 GGAF Cc1[nH]c2cn(CCC(=O)O)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN 169730466 XNUAXYQFCYDJLF-UHFFFAOYSA-N 394.258 3.497 0 1 GGAF Cc1ccnn1CCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166455118 XTSAFSXLXDMXNX-UHFFFAOYSA-N 389.459 3.169 0 1 GGAF COc1cccnc1C1CCN([C@@H]2CCCN(c3nccnc3C)CC2)CC1 1857550510 APRFZDOURHFBPX-LJQANCHMSA-N 381.524 3.427 0 1 GGAF CCc1ccc([C@@H]2C[C@@H](c3cc(OC)c(OC)c(OC)c3)n3nnnc3N2)cc1 2915465 QGFYODCYXWBQNB-IRXDYDNUSA-N 395.463 3.408 0 1 GGAF CCCc1nc(NCc2ccncc2)c2nnn(Cc3ccccc3F)c2n1 4092876 IKYOARDCZOPQGN-UHFFFAOYSA-N 377.427 3.368 0 3 GGAF O=C(CN1C(=O)C[C@@H](c2ccco2)Sc2ccccc21)NC[C@@H]1CCCO1 4142098 NZBYNRJQUILALZ-KSSFIOAISA-N 386.473 3.145 0 3 GGAF Cc1ccc([C@@](O)(COC(=O)C=Cc2ccccc2)COC(=O)C(C)C)c(O)c1 2356413163 PSYOOPKAFUXOPK-HSZRJFAPSA-N 398.455 3.344 0 1 GGAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccc3c(c2)OCO3)cc1 100109392 SIKDHOKQDYTFIP-OSGGFPMRSA-N 377.444 3.420 0 1 GGAF Cc1cc(Cl)cnc1C(=O)Nc1cccc([C@@]2(C(F)F)COCC(N)=N2)c1 113657139 RMXOZKMRPLQRQJ-GOSISDBHSA-N 394.809 3.144 0 1 GGAF Cc1noc(-c2cc3cc(-c4nc(C(=O)N5CCCC5)[nH]c4C)ccc3[nH]2)n1 115831728 LIUUUJALAZXKJS-UHFFFAOYSA-N 376.420 3.461 0 1 GGAF O=C(O)CCN1CCN(CCO[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 29311002 YHKKVXZGTGCXTP-QFIPXVFZSA-N 386.467 3.024 0 1 GGAF Nc1cc2ccc1Oc1cc(cc(Br)c1O)CCNC(=O)CC2 36472799 FRZBSKDYTIMNOE-UHFFFAOYSA-N 377.238 3.134 0 1 GGAF COc1ccc(C[C@@H]2COC[C@H]2[C@@H](O)c2ccc(OC)c(OC)c2)cc1OC 14642010 BLUMMWXERGVZBN-YVHKJVDXSA-N 388.460 3.260 0 1 GGAF biogenic C[C@H](Nc1ncc2nc(NCCc3ccccc3Cl)n(C)c2n1)C(C)(C)O 40762379 KKCZKEJWGVQEDY-LBPRGKRZSA-N 388.903 3.243 0 1 GGAF CC(C)Oc1cc2c(-c3cc(N4CC[C@H](N(C)C)C4)ncn3)n[nH]c2cc1F 225562895 DAJZYDPFIKDHIX-ZDUSSCGKSA-N 384.459 3.087 0 1 GGAF CCOC(=O)C1=C(c2ccc3c(c2)OCO3)Nc2cccc(OC)c2[C@H]1NC 84466037 FMIRDZMWYKMUAM-HXUWFJFHSA-N 382.416 3.084 0 1 GGAF Cc1noc(C)c1-c1ccc(CNS(=O)(=O)c2c(C)nn(C)c2Cl)cc1 98209273 XNTNHEPWXKNVBH-UHFFFAOYSA-N 394.884 3.132 0 1 GGAF in-vitro CN(C)C(=O)[C@@H]1[C@@H](C(=O)N(C)C)C2(C)c3ccccc3C1(C)c1ccccc12 68572280 FNHOXMWBSPLBHO-CSKPTYFESA-N 376.500 3.034 0 1 GGAF biogenic C[C@H]1CN(CCNC(=O)CCc2ccc(O)cc2)CC[C@]1(C)c1cccc(O)c1 299808851 AEHFDSQYDTZIFK-UUOWRZLLSA-N 396.531 3.446 0 1 GGAF Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)c3cccnc23)cc1 473168090 KABAPUAGBILDNE-UHFFFAOYSA-N 396.516 3.096 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1COC[C@H]2CC(C(=O)O)C1 587834618 LRGLLLUSVFMGPU-RDNZYYSPSA-N 398.272 3.075 0 1 GGAF N=c1[nH]ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 586967137 WYBPDVARDVWFCH-UHFFFAOYSA-N 377.477 3.180 0 1 GGAF COC(=O)[C@@H]1CCCc2ccccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587444783 UYAPUMDUORKQRB-IXFSTUDKSA-N 378.424 3.464 0 1 GGAF COc1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2c1 587184331 QYWXKPAFCFWMAQ-CYBMUJFWSA-N 393.228 3.419 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C[C@@H](C(=O)O)Oc4ccc(Cl)cc41)[C@@H](C2)C3=O 587423039 SPSGCRUQGHUNSW-RISOHXOYSA-N 386.787 3.227 0 1 GGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@]2(C[C@@H](C3CC3)N(Cc3ccccc3)C2)N1 962916351 CZDJXJQSWIFMQB-SXWKCWPCSA-N 380.463 3.304 0 1 GGAF CC[C@@H](O)[C@@]1(CC)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963140980 JADCJGXZMMLLHK-XXBNENTESA-N 398.503 3.361 0 1 GGAF Cc1cc2c(cc1O)[C@@H](c1cc3ncnc(Cl)c3s1)N[C@H](C(=O)O)C2 963471391 OBOSJTLWCLFRTI-FZMZJTMJSA-N 375.837 3.047 0 1 GGAF O=C([C@H]1Cc2ccccc2[C@@H](c2ccc(-n3cncn3)c(F)c2)N1)C(F)(F)F 962762417 IYTHHMLSJFZFBD-NVXWUHKLSA-N 390.340 3.142 0 1 GGAF Cc1oc(-c2ccccc2F)nc1CSCC(=O)NCCN1CCCC1 5057629 FTCKGMUERNXUMX-UHFFFAOYSA-N 377.485 3.234 0 1 GGAF COc1cc2c(cc1O)[C@H]1O[C@@H](OC)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 15257580 NRJVOXUCVMTVSZ-QKNQBKEWSA-N 385.416 3.075 0 1 GGAF endogenous,in-man CCN(CC)CCNC(=O)c1cn(CC(C)C)c(=O)c2c1c1ccccc1n2C 2466237 QYANEBOCNVKUPA-UHFFFAOYSA-N 396.535 3.221 0 1 GGAF C[C@]1(COCc2ccc(OC(F)(F)F)cc2)CCn2cc([N+](=O)[O-])nc2O1 115608654 UOHVERHTRSLFEH-OAHLLOKOSA-N 387.314 3.448 0 1 GGAF C[C@@H]1CCCC(=O)CCCC=Cc2cc(OS(=O)(=O)O)cc(O)c2C(=O)O1 2356493778 GQAJNGUAQKYPCH-GFCCVEGCSA-N 398.433 3.056 0 1 GGAF CC[C@@H](C)Cn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc21 27851488 OBEYBODMAAHOBJ-GFCCVEGCSA-N 385.468 3.071 0 1 GGAF COc1cc([C@@H]2SCC(=O)Nc3ccc4[nH]ncc4c32)cc(OC)c1OC 73223083 WPPJNTZSZZPLKO-IBGZPJMESA-N 385.445 3.363 0 1 GGAF Oc1cccc2c1C[C@@H]1CCCN(CCN3CCN(c4ccccc4)CC3)[C@H]1C2 40847620 BDSPUJFGSUKYBJ-URXFXBBRSA-N 391.559 3.394 0 1 GGAF CNc1nc(N2CCC(N3CCCCC3)CC2)nc2cc(OC)c(OC)cc12 82136556 DFSLHMKXCZSJRQ-UHFFFAOYSA-N 385.512 3.143 0 1 GGAF O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)N1Cc2cccnc2C1 96283110 DDFARAHWIJBZGT-UHFFFAOYSA-N 393.468 3.140 0 1 GGAF O=C(c1cnccn1)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N[C@H]2CO 95878161 ZAROACMCMGCNBC-HSQYWUDLSA-N 386.455 3.133 0 1 GGAF COc1ccc(CCCc2nc3nc(Br)c[nH]c-3n2)c(OC)c1 587928307 BVHFYFWVRLRXQF-UHFFFAOYSA-N 377.242 3.260 0 1 GGAF COC(=O)[C@@H]1C(=O)C[C@]2(C[C@@H]1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587811967 YERYLFOQGBVSMW-IAOPXQTGSA-N 398.272 3.106 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2cnn(C)c2)N1 587756006 CIMDXXGQQMIJMN-VVVCHXIZSA-N 390.260 3.335 0 1 GGAF O=c1c(-c2nc3c(O)nccc3[nH]2)cc(Br)cn1Cc1ccccc1 587005977 CPUHNPHYKJTLTN-UHFFFAOYSA-N 397.232 3.303 0 1 GGAF CCOC(=O)c1ccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2c1 586941119 NQDLYECGODHHNX-ZHACJKMWSA-N 399.472 3.138 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCO)(c2ccc(O)cc2)N1 587827111 NQWSJNWAMWHILF-BBATYDOGSA-N 380.257 3.454 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(O)ccc12 587791549 KAXWWKVIDNGDKX-CQLKUDPESA-N 377.213 3.024 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CC(C(C)(C)O)C3)c2cn1)c1ccccc1 1772575562 DQNSHBOTLFAFKN-CYBMUJFWSA-N 394.479 3.048 0 1 GGAF CC[C@@H](COC)NC(=O)CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1 14887194 YLYBEVRGQMYRDI-WMZHIEFXSA-N 382.504 3.353 0 1 GGAF COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 169311356 BWMYZGQZXBOFTL-UWJYYQICSA-N 398.459 3.231 0 3 GGAF CN1c2ccc(Cl)cc2N=C(N2CCN(CCO)CC2)c2cscc21 169328509 YLLSSNZKHPZMFG-UHFFFAOYSA-N 376.913 3.171 0 1 GGAF CC(=O)CC(=O)c1c(C)[nH]n(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O 169330760 KAXYRZSWHQUKSU-UHFFFAOYSA-N 375.837 3.413 0 1 GGAF C/C=C(\C)C(=O)O[C@@H]1/C(C)=C/CC[C@@]2(C)O[C@@H]2[C@@H](OC(C)=O)[C@@H](C(C)C)[C@@H]1O 169517894 KPSMZNLLIYQFGY-ZRXDJBMGSA-N 394.508 3.327 0 1 GGAF N=c1[nH]c2cc(-c3ccccc3F)ccc2c2nc(CN3CCCC3=O)[nH]c12 1857764170 NMYPBTVWAQKBTP-UHFFFAOYSA-N 375.407 3.452 0 1 GGAF CCOC(=O)C[C@@H]1CCc2cc(NC(=O)c3ccc(C(=N)N)cc3)ccc2C1 3982106 DXZOOERHROKAKU-CQSZACIVSA-N 379.460 3.281 0 1 GGAF CCN(CC)c1ccc(N[C@@H]2CC(=O)N(CCc3ccc(OC)cc3)C2=O)cc1 100604865 FRRFLGJTMMANGA-OAQYLSRUSA-N 395.503 3.324 0 3 GGAF O=C1NC(=O)C(c2cn3c4c(cccc24)CNCC3)=C1c1cccc2occc12 28132239 WSEQQMOTVBENFI-UHFFFAOYSA-N 383.407 3.058 0 1 GGAF O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)[C@@H]1C[C@H]1c1ccncc1 103241135 DWLADFUMQDHIEL-LEWJYISDSA-N 392.480 3.334 0 1 GGAF COc1cc(C)c(C[C@H]2NCCc3c2cc(OC)c(OC)c3OC)cc1OC 2356444525 YMHGNTFBIWALCF-QGZVFWFLSA-N 387.476 3.468 0 1 GGAF COc1cc2ncnc(N3CCN(CCc4ccccc4)CC3)c2cc1OC 28824573 MHSOOWVQWCZXBA-UHFFFAOYSA-N 378.476 3.012 0 1 GGAF COc1ccc(CS(=O)(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 28965714 TUEZVZDLDXKFDC-VAWYXSNFSA-N 378.446 3.307 0 1 GGAF CC(=O)OCC(=CCCC(C)=CCO)CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1 2356610322 HQNQQDPJKGHMFM-VWPQPMDRSA-N 398.540 3.044 0 1 GGAF C[C@H]1CCN(CCCCCNS(=O)(=O)c2cccc(Br)c2)C1 71330506 PEXRWJIEOPHIRL-AWEZNQCLSA-N 389.359 3.240 0 1 GGAF Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)NCc2ccco2)C(C)C)co1 82070000 OZBCMGNYRITBOJ-SFHVURJKSA-N 381.432 3.314 0 1 GGAF CC(C)c1cc(NC(=O)c2ccc3cc4n(c3n2)CC(C)(C)CNC4=O)no1 147134868 LPZFCJCYTYLTNK-UHFFFAOYSA-N 381.436 3.170 0 1 GGAF COc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2Cl)C3)c1 95565370 JZUAKHXYCFPQER-UHFFFAOYSA-N 386.814 3.402 0 1 GGAF CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)C2CCCC2)[C@H]1CO 95798432 XLLDPXICDJKHRK-ZTFGCOKTSA-N 393.325 3.340 0 1 GGAF COc1cc2nccc(OCc3nnc4ccc(-c5ccccc5)nn34)c2cn1 149243619 CJLPABYSDZIEPI-UHFFFAOYSA-N 384.399 3.322 0 1 GGAF CCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccccc3Cl)C[C@@H]21 95894492 NRBNEYGDSAPWKE-CMKODMSKSA-N 399.878 3.457 0 1 GGAF O=C(NCc1ccncc1)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 621431191 BZFVAMHEKOUJTG-UHFFFAOYSA-N 391.452 3.203 0 1 GGAF Cc1ccccc1N(CCN1CCC(OCC(=O)O)CC1)C(=O)c1ccccc1 653709744 YSSMAAIMVRPJGY-UHFFFAOYSA-N 396.487 3.207 0 1 GGAF COc1nccc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c12 586984401 LKBOFQRFDKEMHY-AWEZNQCLSA-N 389.253 3.149 0 1 GGAF CN(C)C(=O)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587148715 KIVGAPCFPMKHQE-AWEZNQCLSA-N 398.413 3.059 0 1 GGAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(N)=O 587507343 CEVQJNUWJOYYKI-LJQANCHMSA-N 381.428 3.145 0 1 GGAF O=[S@@](Cc1nc2c(O)nc(S)nc2[nH]1)C(c1ccccc1)c1ccccc1 586960951 REDLHJXHVMQKGT-MHZLTWQESA-N 396.497 3.386 0 1 GGAF CN1CCN(c2ccc3nc([C@]4(C)C=C(c5ccccc5F)NO4)[nH]c3c2)CC1 587154771 GORNUVAOARKHPG-QFIPXVFZSA-N 393.466 3.245 0 1 GGAF CS(=O)(=O)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587077002 QPLFWSKEEUXYPH-INIZCTEOSA-N 375.837 3.237 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cc(C)nn1C)CC2=O 587474093 AYAOAKXRWPFAMR-OAQYLSRUSA-N 386.448 3.201 0 1 GGAF CC1(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)OCCO1 587656783 OOCMVOXRWAKXSR-UHFFFAOYSA-N 386.354 3.135 0 1 GGAF Cc1cn(C/C=C\CN(Cc2ccccc2)Cc2ccccc2)c(=O)[nH]c1=O 13538429 MQZAUHAQKFBHEA-HJWRWDBZSA-N 375.472 3.104 0 1 GGAF C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)O)C(=O)O 13741338 WNXCXPRMZCGVNM-BEFAXECRSA-N 383.444 3.214 0 1 GGAF Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC(C)(C)C)c2n1 169704251 WLZVGCRFNLQBBM-QGZVFWFLSA-N 396.470 3.442 0 1 GGAF Cc1cc2cc(Nc3nc(=O)[nH]c(=O)n3Cc3ccc(Cl)cc3)ccc2o1 200514658 LINZAOUDZMSNFJ-UHFFFAOYSA-N 382.807 3.432 0 1 GGAF CC(C)c1ccc(S(=O)(=O)N2C(=O)NC(=O)[C@@]23CCCc2ccccc23)cc1 1857552067 XSTOJSNXCJOZLO-NRFANRHFSA-N 398.484 3.282 0 1 GGAF O=S(=O)(c1ccccc1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1 4238089 OKFOVLSCEFTLGK-UHFFFAOYSA-N 385.533 3.149 0 1 GGAF O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 4903817 BWFWRODDHJECAZ-ATNYCFDYSA-N 376.387 3.390 0 1 GGAF CC(=O)N1CCc2cc([C@H](O)CN3CCN(c4cccc(Cl)c4)CC3)ccc21 20287278 BFSYVGJVLWPJJX-JOCHJYFZSA-N 399.922 3.105 0 1 GGAF O=C1Nc2ccccc2C2=N[C@H](CN3CCN(c4ccccc4Cl)CC3)CN12 22940628 WQVURQCXIRJDTR-OAHLLOKOSA-N 395.894 3.139 0 1 GGAF C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2Cl)CC1 22941492 IEICVHLYUUMYCM-QGZVFWFLSA-N 383.923 3.435 0 1 GGAF COc1cc2c(cc1OC)[C@]13CCN4CCC[C@]5(CCO[C@]415)CC[C@H]3N2C(C)=O 2356533706 PWOCPVXCFAKUOV-LUKWVAJMSA-N 398.503 3.073 0 1 GGAF CC(=O)OC[C@](O)([C@H](O)CO)[C@@H]1C[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]2(C)C1 2356602890 OVDONPAXHCFZKS-HBVVZYATSA-N 396.568 3.293 0 1 GGAF COc1ccc(C2=NN(c3nnc(S)n3-c3ccccc3)C(=O)CC2)cc1 66066071 CWOPXZSPCSSBCP-UHFFFAOYSA-N 379.445 3.096 0 1 GGAF C[C@@]12CC[C@H]3[C@@H](C[C@H]4OC[C@]35CC[C@H](O)C[C@]45Br)[C@@H]1CCC2=O 2356671928 PNLOSOCURUFDEO-BZFSXMFKSA-N 383.326 3.465 0 1 GGAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CC[C@@H](F)C3)ns2)n1 66102722 QZCMKSLZWAYEFU-CYBMUJFWSA-N 398.471 3.172 0 1 GGAF CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1 34840816 FIWCLCRWDUELGO-UHFFFAOYSA-N 380.433 3.244 0 1 GGAF in-vitro COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@H](C)[C@]3(C)[C@@H](O)CC=C(C)C)C1=O 15222015 HVPDKSONVUABMQ-XTCJLCLGSA-N 386.444 3.447 0 1 GGAF biogenic CCC(CC)n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)OCCO)CN(C)[C@@H]1C2 40812817 ZKBHIGHGJUAMPK-NBHGPNQESA-N 384.520 3.498 0 1 GGAF C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4C)cc3n2C1 147841683 QSHMNFWQOCRSHJ-ZDUSSCGKSA-N 387.443 3.160 0 1 GGAF F[C@H]1CCNCC[C@H]1Oc1cccc2ccc(-c3nnc4ccccn34)nc12 96174998 CBZNDVANLGVAAJ-DOTOQJQBSA-N 377.423 3.413 0 1 GGAF O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCCCC1 95894369 FWJPVUNSECTBBX-VJBWXMMDSA-N 391.515 3.451 0 1 GGAF CCc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 98208815 VIJAQTISDPENBI-VOTOBMJFSA-N 376.522 3.226 0 1 GGAF in-vitro Cc1nn(Cc2ccccc2S(=O)(=O)c2ccccc2)c(C)c1CC(=O)O 96270509 STAAABGFPYEVCS-UHFFFAOYSA-N 384.457 3.008 0 1 GGAF CC(C)(C)OC(=O)NC1CCN(c2ncnc3[nH]c4ccc(O)cc4c23)CC1 653630345 OZEGSHZKAUMSDS-UHFFFAOYSA-N 383.452 3.310 0 1 GGAF CCS(=O)(=O)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587039702 DSHFWJOBGZVVAB-ROUUACIJSA-N 387.530 3.303 0 1 GGAF CCOC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 587585923 INKCGPSZDCVZBS-DYESRHJHSA-N 395.367 3.434 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(Cc3sc(C)nc3C)[nH]c2c1 587013080 ZFGYKKIQNWWKSD-UHFFFAOYSA-N 378.523 3.258 0 1 GGAF Cc1nccc2[nH]c([C@H](N)Cc3ccc(I)cc3)nc12 587184385 BGDWWFLVHONFEN-GFCCVEGCSA-N 378.217 3.113 0 1 GGAF Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21 962925534 NRGBQGLHEKIVGY-HSZRJFAPSA-N 388.515 3.485 0 1 GGAF CC(=O)N1CCc2c(c(Nc3cccc(-c4cn[nH]c4)c3)nn2CC2CC2)C1 1772598141 AMNYDJDEGBTNSA-UHFFFAOYSA-N 376.464 3.331 0 1 GGAF Cc1csc(-c2nc3nc(N4CCC[C@@H](C(=O)N5CCCC5)C4)ccc3[nH]2)n1 1772636772 QKLAOBZVAKUICO-CQSZACIVSA-N 396.520 3.229 0 1 GGAF Cc1cc(C(=O)N2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)n[nH]1 12432560 POIZYUPPDFIZQA-UHFFFAOYSA-N 381.398 3.194 0 3 GGAF CC(C)(C(=O)NCc1ccccc1)n1cc(NC(=O)Cc2ccc(F)cc2)cn1 205214813 YMCPRAOLKIZIPP-UHFFFAOYSA-N 394.450 3.255 0 3 GGAF O=C1Nc2cc(Cl)ccc2C12CCN(c1nc(O)c3c(n1)CCCC3)CC2 1857557684 USWRDMVZJWDCCC-UHFFFAOYSA-N 384.867 3.205 0 1 GGAF CC(=O)Nc1ncc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)[nH]1 1857566852 BXDSOEQUZRFEHJ-UHFFFAOYSA-N 380.429 3.227 0 1 GGAF CCCCNC(=O)c1c(NC(=O)COc2ccccc2)nc2ccc(C)cn12 1857608868 UMBOCPGKDQCLBA-UHFFFAOYSA-N 380.448 3.190 0 1 GGAF CC(=O)O[C@@H]1C=C(C)C[C@H](O)[C@H]2[C@@](O)(C(C)C)CC[C@]2(C)CC=C(CO)C1 2356424768 UVSDLGIXSNUFRQ-TWGBQZSLSA-N 380.525 3.131 0 1 GGAF C[C@]1(O)CCN(C(=O)C2CCCCC2)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356320413 FSIGGWGMMJHNFO-MZKRTTBSSA-N 384.520 3.186 0 1 GGAF O=C(OCCCc1ccccc1)[C@@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccccc1 100900838 KIOGMUGRDVHMLR-ZJOUEHCJSA-N 399.512 3.404 0 1 GGAF CC(C)[C@H](NC(=O)OC(C)(C)C)c1cc(C(=O)N2CCOCC2)c(N)s1 103114644 DGIQWFLSYNOYHY-AWEZNQCLSA-N 383.514 3.025 0 3 GGAF COc1ccc(C2=NO[C@@H](Cc3ccc(OC(C)=O)c(OC)c3)C2)c(OC)c1 103213590 ASOPOANYHIKWBK-INIZCTEOSA-N 385.416 3.373 0 1 GGAF O=C(NCc1cccnc1)c1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)on1 61929041 BCHCULPTTKTOLU-GOSISDBHSA-N 396.491 3.286 0 3 GGAF CC[C@H](O)[C@@H]1CCC[C@H]2[C@@H]3C(=CCCN12)O/C(=C1/OC(=O)C(C)=C1OC)[C@H]3C 70454847 KLADGQYNEYECIT-GZDWRNJESA-N 389.492 3.239 0 1 GGAF biogenic,in-vitro C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nn(S(C)(=O)=O)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 26183588 FREWIGFIXSUUMY-RYMRXWPBSA-N 390.549 3.234 0 1 GGAF CC(=O)CCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 139132526 TWOWQFUKCHQDEG-UHFFFAOYSA-N 385.439 3.076 0 1 GGAF O=C(C[C@H](C(=O)Nc1ccccc1)N1CCOCC1)c1ccc2c(c1)CCCC2 45388155 VANKYQDEDHCRSN-JOCHJYFZSA-N 392.499 3.478 0 1 GGAF COc1ccccc1Cn1c(=O)n(-c2ccccc2)c2nc(NC3CC3)ncc21 40898217 QLZMJSSRSSLWQS-UHFFFAOYSA-N 387.443 3.213 0 1 GGAF CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3ccccc3Cl)nc12 95590006 QVMYYPQUSVVFPS-UHFFFAOYSA-N 391.836 3.218 0 1 GGAF O=C1O/C(=C/c2nc3cc(I)cnc3[nH]2)c2ccccc21 586905829 DJIGEAOXVIBDGM-WUXMJOGZSA-N 389.152 3.231 0 1 GGAF COc1cccc2c1NC(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587788988 BAIRYKJJBQCLTE-YYSFKGJASA-N 391.240 3.327 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c(Cl)cnn1C 587868555 OGPYTRHKTBQGME-UHFFFAOYSA-N 385.733 3.048 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cccc(F)c12 587571162 PLMNDDHEDUZOGX-UTKZUKDTSA-N 377.327 3.341 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC=O)(c2ccccc2)N1 587753971 ILAUIGMUJFNORP-XIKOKIGWSA-N 377.257 3.112 0 1 GGAF CCOc1cc(/C=C/c2nc3cnnc(O)c3[nH]2)cc(Br)c1OC 586978363 PQIVSPWGJIQYHH-SNAWJCMRSA-N 391.225 3.399 0 1 GGAF O=C(O)Cc1ccc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 587960541 DQSSPCLJHYLXBB-UHFFFAOYSA-N 389.205 3.242 0 1 GGAF COc1ccc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600143 LTAXHCNQGVRTAW-PGRDOPGGSA-N 392.363 3.343 0 1 GGAF COC(=O)c1noc(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587795363 ODNSTSKQAOFYHN-RBHXEPJQSA-N 397.244 3.469 0 1 GGAF CC(C)C(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582177 KLFPDSHWUHBHKU-GOSISDBHSA-N 381.428 3.371 0 1 GGAF O=S(=O)(NCc1nc2cccc(Cl)c2[nH]1)c1ccc(F)c(F)c1F 587134357 PCSQXWVMIYVFHH-UHFFFAOYSA-N 375.759 3.112 0 1 GGAF CCOc1ccc([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cn1 962672972 USAXFVCCCNDQDV-KNQAVFIVSA-N 377.444 3.217 0 1 GGAF COC(=O)/C(=C1/OC(=O)C(c2ccc(OC)cc2)=C1OC)c1ccc(OC)cc1 13374234 YMKVBCRZKHLPMY-CZIZESTLSA-N 396.395 3.202 0 1 GGAF biogenic,in-vitro O=C(O)CC[C@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cccn21 13781428 IDKAQALCVMXVGC-AWEZNQCLSA-N 381.215 3.383 0 1 GGAF N=C(NCCCc1c[nH]cn1)NCC[C@@H](c1ccncc1)c1ccc(F)cc1 13816225 DMFRLJUTFJKADU-HXUWFJFHSA-N 380.471 3.213 0 1 GGAF Cn1c(CN2CC[C@H](c3ccc(C(F)(F)F)cc3)[C@@H](O)C2)nc2ncccc21 169356213 GGANYXPSWRBDMF-WBVHZDCISA-N 390.409 3.338 0 1 GGAF O=C(Nc1ccccc1)C1=CN2CCN(Cc3cccc(Cl)c3)C(=O)N=C2O1 205212592 FQPOFSNXTKUSGG-UHFFFAOYSA-N 396.834 3.444 0 3 GGAF CC/C=C\C/C=C\C[C@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCC(=O)O 4654951 HLOKCEDYFAXGRQ-WYULEFOLSA-N 378.509 3.375 0 1 GGAF in-vitro Cc1ccc(Cl)cc1-n1cc(COc2ccc(OCC(=O)O)c(F)c2)nn1 1857534178 CNVFWXWIFWDWPC-UHFFFAOYSA-N 391.786 3.411 0 1 GGAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)N[C@@H]4CCc5ncccc54)c(=O)n1c23 1857563741 HPCUWKZSSJYKGG-PIGZYNQJSA-N 393.418 3.166 0 1 GGAF CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCC(C)(C)CO 767253 MWFJZGSQBDIFLS-PZJWPPBQSA-N 396.487 3.312 0 1 GGAF COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 4819508 FWUWJAIPWDUCBA-YKLJGAPNSA-N 388.423 3.259 0 1 GGAF CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)NC(=O)CS2 6892726 AFGGUOMBDMSMLC-AWEZNQCLSA-N 376.503 3.030 0 3 GGAF O=C(NCCN1CCC(Cc2ccccc2)CC1)c1cccc(CO[N+](=O)[O-])c1 1911585061 YVKSXFJCWIFFIE-UHFFFAOYSA-N 397.475 3.079 0 1 GGAF COc1ccc([C@]23OC[C@]24[C@H]2[C@@H](OC[C@H]24)c2cc(OC)c(OC)cc23)cc1OC 100767215 QNMXTGTWSBDJKC-DLHUIPPFSA-N 396.439 3.312 0 1 GGAF Cn1ncc2c1C[C@H](CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O 28948412 PFRKPUIPKBLDOK-ZDUSSCGKSA-N 382.439 3.325 0 1 GGAF COCCNc1cc(-n2c3c(c4ccccc42)C(=O)CCC3)ccc1C(N)=O 24981153 XQKFKSJUBJPOLY-UHFFFAOYSA-N 377.444 3.307 0 1 GGAF in-vivo Cc1csc([C@H](Cc2ccc(NS(=O)(=O)O)cc2)NC(=O)C(C)(C)C)n1 114376702 QDLLTACANIARFO-AWEZNQCLSA-N 397.522 3.112 0 1 GGAF COc1ccc([C@H]2CNC(=O)C2)cc1OCCCC(=O)N(C)C1CCCCC1 29240389 WMAWFWUZDHVSGI-QGZVFWFLSA-N 388.508 3.249 0 1 GGAF CCCN(CCN1CCN(c2cccnc2)CC1)[C@H]1CCc2ccc(O)cc2C1 64415651 LFLWSALOEDMVRA-QFIPXVFZSA-N 394.563 3.179 0 1 GGAF COc1cc2c(cc1OC)[C@]13CCN4CCC[C@]5(CCO[C@]415)CC[C@@H]3N2C(C)=O 238733616 PWOCPVXCFAKUOV-BJESRGMDSA-N 398.503 3.073 0 1 GGAF CCOC(=O)[C@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587763 HPVGKVBNCUOHLJ-DYESRHJHSA-N 379.368 3.141 0 1 GGAF O=C1C[C@@]2(C=C(CN3CCCCC3)OCC2=O)Oc2c1ccc1c2CCCC1 587514791 PIXAQKVSTBTSEV-HSZRJFAPSA-N 381.472 3.239 0 1 GGAF CCOC(=O)[C@@]1(CC(=O)C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587799669 UDALPMKAIBPTID-MGNBDDOMSA-N 398.272 3.250 0 1 GGAF COc1ccc(OC)c([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c1 587399297 JYWAEGILAMXISM-NRFANRHFSA-N 385.416 3.320 0 1 GGAF Cc1cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2cc1Br 586932194 VZVFOKIPDDJYSD-UHFFFAOYSA-N 384.255 3.144 0 1 GGAF COc1ccc([C@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587805023 CUEKHAFRTLFLDN-MGNBDDOMSA-N 394.240 3.459 0 1 GGAF COC(=O)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2n1 586994875 DKHWOSZLNFIWOL-UHFFFAOYSA-N 375.226 3.162 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnn1-c1ncccn1 587578483 AGMHCFIKNKDFGQ-PXNSSMCTSA-N 386.367 3.071 0 1 GGAF C[C@H]1CC2(C[C@H](C)N1C(=O)OC(C)(C)C)N[C@H](C(=O)O)Cc1cc(F)ccc12 962890161 BYXJNOSZBPLTPD-DCGLDWPTSA-N 392.471 3.428 0 1 GGAF Cc1ccc(C[C@@]2(CCC(=O)NCCCc3cccnc3)CCC(=O)N2)cc1 11785975 DGYSTTVAVHRERU-HSZRJFAPSA-N 379.504 3.111 0 1 GGAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccc(F)c2)cc1 13761809 CPCDNKFXSPUXSE-UHFFFAOYSA-N 385.342 3.345 0 1 GGAF CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(S(=O)(=O)CCCC)CC2 13817476 YSQZDAFCMMFMCO-HNNXBMFYSA-N 380.554 3.373 0 1 GGAF O=C(CCCCc1ccc2c(n1)NCCC2)NC[C@H](C(=O)O)c1ccccc1 13860624 UTLUMEAXMVYDSF-IBGZPJMESA-N 381.476 3.137 0 1 GGAF CC/C(=C\c1cc(OC)c(OC)c(OC)c1)C(=O)N1CCC=C(Cl)C1=O 169331809 XSUBQNUMMYYIKV-UKTHLTGXSA-N 379.840 3.387 0 1 GGAF O=C(O)CCC(=O)N[C@@H](CC(=O)O)Cc1ccc(-c2cccc(Cl)c2)cc1 166584770 ZBGYPMPWJWNWEA-QGZVFWFLSA-N 389.835 3.374 0 1 GGAF O=C(O)C[C@@H](c1ccc2ccccc2c1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1857637805 KGBZAHJITQDBEC-SFHVURJKSA-N 389.363 3.350 0 1 GGAF COC(=O)N[C@H](/C(C(=O)OC)=C(\C)NCc1ccccc1)c1cccc(F)c1 7992493 CWNMVXGLQBFIPT-BSKAQADGSA-N 386.423 3.460 0 1 GGAF O=C(O)C[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1Cc1nc2ccccc2[nH]1 2356318054 NFUYRMKHZAPRSK-SJORKVTESA-N 377.444 3.359 0 1 GGAF CC(C)(C)NC(=O)c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 103179572 YRKDQFHDTABKSY-UHFFFAOYSA-N 375.375 3.455 0 1 GGAF COc1ccccc1N1CCN(CCOc2ccc3[nH]c(=S)[nH]c3c2)CC1 52716752 MRGKIYOXZKSZPO-UHFFFAOYSA-N 384.505 3.435 0 1 GGAF C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 101768197 PTBFHBJQEHQNOR-BHPKHCPMSA-N 384.929 3.145 0 1 GGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4sccc4-n4cccc4)C[C@@H]3C2)n1 116821927 DVFNTCCOGHJMNT-IAGOWNOFSA-N 393.516 3.154 0 1 GGAF CCCC[C@H](O)[C@@H]1CC[C@H]([C@@H]2CC[C@H]([C@@H](O)CCCC3=C[C@H](C)OC3=O)O2)O1 2356349492 GTIXULIWYDDMNA-HOVPGRLKSA-N 396.524 3.036 0 1 GGAF COC(=O)[C@@H]1C[C@]23CCCN4CC[C@@]5(c6ccccc6N(C(=O)OC)[C@@]15CC2)[C@@H]43 26663149 SQVLFJQJOPEBAA-HPLXBGGASA-N 396.487 3.091 0 1 GGAF COc1ccc2nc(C)cc(N3C[C@@H](CNC(=O)c4ccccc4)OC3=O)c2c1 72120403 KFVLHEMMYSLAEU-QGZVFWFLSA-N 391.427 3.307 0 1 GGAF COc1cc2c(cc1-c1ccccc1)C(c1cccc(C(N)=O)c1)=NCC(=O)N2C 34544954 WYTGWTBNDXWMMB-UHFFFAOYSA-N 399.450 3.275 0 1 GGAF CCN(CC)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccc(C)cc12 49033803 NWACEMRUZXAFQI-UHFFFAOYSA-N 395.488 3.265 0 1 GGAF COCC1[C@@H]2CC[C@H]1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2 43122445 JATQVZAOCJUHTI-MCPYQZEQSA-N 377.916 3.186 0 1 GGAF Cc1ccccc1Oc1cc(N2CCC(Oc3ncc(F)c(N)n3)CC2)ncn1 49032554 XDPUWAXHACXPOK-UHFFFAOYSA-N 396.426 3.136 0 1 GGAF COC[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 139831869 BPLBOGYZWFPPPN-MRXNPFEDSA-N 375.476 3.101 0 1 GGAF CCCS(=O)(=O)N1CC(c2ccc3c(c2)[C@@H](Cc2ccccc2)[C@H](N)CC3)C1 88261135 IANRWCRHABAVHX-DHIUTWEWSA-N 398.572 3.425 0 1 GGAF COc1cc(OC)cc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)c1 95580155 AHQXVXFATMEEMK-OAQYLSRUSA-N 399.491 3.053 0 1 GGAF C[C@H](CCO)CNCc1ccc(F)c(-c2ccc(OCC(F)(F)F)nc2)n1 261109256 HUDJFQQXIZGNTD-GFCCVEGCSA-N 387.377 3.332 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnn(C)c3)c2cn1)c1ccc(F)cc1 261072787 AKCFHTJVDWTQRE-LLVKDONJSA-N 379.399 3.380 0 1 GGAF COc1cccc(-c2cnn(C(C)(C)C(=O)Nc3ccc(N(C)C)cc3)c2)n1 618008089 WBAKIDKZCFRUED-UHFFFAOYSA-N 379.464 3.394 0 1 GGAF C=CCN(C)C(=O)[C@H](C)[C@@H]1CCc2c(C)cc(OCCOC)c(C)c2[C@H]1O 36356147 CZYVBKLNNXDTKW-YWMUFLPLSA-N 375.509 3.205 0 1 GGAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCS(=O)(=O)c3ccc(Cl)cc31)O2 587408711 DCVUOEZJRDUYKT-GOSISDBHSA-N 377.849 3.269 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(OC(F)(F)F)ccc21 587381502 GGWCFZACMNTMEC-KRWDZBQOSA-N 378.306 3.289 0 1 GGAF CS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587607390 METRAAAFKDFCKM-WIYYLYMNSA-N 396.420 3.499 0 1 GGAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 587767844 BITLSCOMXZCWOI-FVMDXXJSSA-N 379.229 3.393 0 1 GGAF CCOC(=O)[C@]1(c2ccc[nH]2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791616 MFCVOYYVILQKMI-DYZYQPBXSA-N 381.245 3.257 0 1 GGAF Cc1c(O)ccc2c1[C@](c1ccccc1)([C@@H](N)c1ccccc1)N[C@H](C(=O)O)C2 963493062 VBBQXMVPXMWDCF-NGYIFUPDSA-N 388.467 3.243 0 1 GGAF Fc1ccc([C@@H](CN2CCN(c3cnccn3)CC2)NCc2cccs2)cc1 198327739 RYEHLSSLBFAZNZ-HXUWFJFHSA-N 397.523 3.330 0 1 GGAF O=S(=O)(c1cccs1)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 11765384 PIIGSHULXOJNNP-UHFFFAOYSA-N 385.938 3.407 0 3 GGAF Cn1c(O)c(C2=NN=C(O)/C2=N\Nc2cccc(Cl)c2)c(=O)c2ccccc21 13409424 GZWFFCDSAXMKFV-UHFFFAOYSA-N 395.806 3.040 0 1 GGAF biogenic CCCCCCNC(=O)N1CCn2c(c(O)n([C@H]3C[C@@H]3c3ccccc3)c2=O)C1 169724942 DIOPLKAYJIWQPF-MSOLQXFVSA-N 398.507 3.190 0 1 GGAF Cn1nccc1Nc1nccc(-c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3)n1 1857557942 JDDKPMOIMSKLGM-UHFFFAOYSA-N 397.442 3.172 0 1 GGAF COc1cc(C2=C[C@@H](O)CCc3c2ccc(OC)c3OC)cc(OC)c1OC 1857568194 UNLWBOHKBBVITI-AWEZNQCLSA-N 386.444 3.468 0 1 GGAF CC1CC(N(C[C@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)C1 148327125 MLVCKDYTDXPHKG-OFLPRAFFSA-N 386.517 3.216 0 1 GGAF COc1ccc(-n2c(=O)c(-c3cn(C)c4ccccc34)nc3cncnc32)cc1 4238335 QMXYCGQIZONSRA-UHFFFAOYSA-N 383.411 3.343 0 1 GGAF Cc1cc(Cl)cc(COC[C@H](c2ccccc2)N(C)Cc2n[nH]c(=O)[nH]2)c1 27645474 MENACXWZSRFIHK-GOSISDBHSA-N 386.883 3.450 0 1 GGAF Cc1cc(-c2nc(C(N)=O)c(C)nc2C)ccc1-c1ccc(CC(=O)O)cc1 103298714 JADHSBDORWFJFX-UHFFFAOYSA-N 375.428 3.462 0 1 GGAF COc1ccc([C@]23OC[C@@]24[C@H]2[C@H](OC[C@H]24)c2cc(OC)c(OC)cc23)cc1OC 28219305 QNMXTGTWSBDJKC-ZSNNFYQVSA-N 396.439 3.312 0 1 GGAF CCCCN(C=O)c1c(CC)nc2ccc(C(=O)NCCc3ccccn3)cn12 61929611 CAYHMKHOAZSJKW-UHFFFAOYSA-N 393.491 3.027 0 3 GGAF COCCCC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 34778486 KEJJEEMSWMJCHB-ITVBOBTOSA-N 396.524 3.124 0 1 GGAF Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1Cl 35943016 KJGIZBAFYZZEKQ-UHFFFAOYSA-N 392.864 3.077 0 1 GGAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCc1ccccc1F 82198588 BQGZXDYOIJLJBL-LLFXRFBESA-N 376.472 3.194 0 1 GGAF CC(C)CN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O 141948216 NWWGDAODYGNMAA-UHFFFAOYSA-N 385.291 3.353 0 1 GGAF COc1cc(S(=O)(=O)c2cccc(O)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 96175315 CNJVPMHSADONCW-YVEFUNNKSA-N 398.484 3.075 0 1 GGAF N[C@@H]1CCc2ccc(CNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccccc1 142902461 BRUPJZUTAXTMBB-FGZHOGPDSA-N 384.545 3.116 0 1 GGAF Brc1cccc(CN[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@@H]3C3(OCCO3)[C@H]3[C@H]5[C@@H]4[C@H]32)c1 261180678 WAUBOCWMTBAXMK-GVAPKMJFSA-N 388.305 3.038 0 1 GGAF C[C@H](NC(=O)c1cc(O)n(-c2ccccc2)n1)c1ccc2c(c1)OCCCO2 618020152 GFSGWBSNUQKBSA-AWEZNQCLSA-N 379.416 3.230 0 1 GGAF Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)cc1F 653708775 WFCCVMFCZNZSRV-UHFFFAOYSA-N 383.310 3.314 0 1 GGAF O=C(Cn1nc(C(F)(F)F)cc1C1CC1)n1ncc2ccc(Cl)cc2c1=O 587651072 BDRPVJXICPTHNI-UHFFFAOYSA-N 396.756 3.483 0 1 GGAF Cc1cccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c12 587128019 HFCUQRVRLDGPLR-UHFFFAOYSA-N 375.354 3.295 0 1 GGAF CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587875915 VFLJPNVKAKIYNQ-KRWDZBQOSA-N 381.363 2.888 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)Cc1ccc(F)cc1 587569394 IMAFXSGTSUYYJZ-UGKGYDQZSA-N 380.371 3.467 0 1 GGAF CC(=O)c1cnn(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587765280 SEUNLQJWDCQNMK-XYZCENFISA-N 380.261 3.322 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn3c(=O)ccnc23)N1 587790165 HZRLPZKASHSEEF-QGHHPUGFSA-N 388.240 3.220 0 1 GGAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)cc2N1 587124193 LZZVKGRMYGAVMF-PYSYBHHASA-N 379.346 3.458 0 1 GGAF Cc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)nn1C(C)C 587275589 DSCCADZJMYGDIK-UHFFFAOYSA-N 378.226 3.399 0 1 GGAF COC(=O)c1ccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2c1 587259996 PSYRNFACVLDKBW-INIZCTEOSA-N 396.447 3.056 0 1 GGAF N[C@@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C1COC1 587255911 UNCULZOMFBFNQB-OAHLLOKOSA-N 390.365 3.480 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C(=O)O)n2)N1 587775062 YNJJMHQBTPWGCN-VVVCHXIZSA-N 379.229 3.479 0 1 GGAF Cc1cc2c(cc1O)[C@](C)(c1[nH]c(-c3ccccc3)nc1C)N[C@H](C(=O)O)C2 963474492 VCCWFMSLQDBZIA-HTAPYJJXSA-N 377.444 3.262 0 1 GGAF Fc1cccc2c1[C@@H](c1cnc(I)nc1)N1CCC[C@@H]1C2 963096165 CSIMNLYSVOQPBK-IUODEOHRSA-N 395.219 3.330 0 1 GGAF COc1n[nH]c2cc(NC(=O)N[C@H](COC(F)F)c3ccccc3)ncc12 1772629025 WTLFDESRPQXBHU-CYBMUJFWSA-N 377.351 3.069 0 1 GGAF Cc1nnc2c(C(=O)Nc3ccc(F)cn3)cc(Oc3cncc(F)c3)cn12 1772639653 WBWHBHWEZVQLRK-UHFFFAOYSA-N 382.330 3.151 0 1 GGAF CCN1CCC[C@H]1CNC(=O)c1sc2ncnc(NCc3ccco3)c2c1C 11786749 JNWUHDLAYPKMNY-AWEZNQCLSA-N 399.520 3.419 0 1 GGAF COC[C@H]1CCCN(C(=O)[C@H]2CCCN(c3nc(C)c4ccc(C)cc4n3)C2)C1 11966409 LEIOYXDWDVPTCB-OALUTQOASA-N 396.535 3.348 0 1 GGAF C[C@@H]1C(=O)N(C(=O)C2C(C)(C)C2(C)C)[C@H]2CCN(C(=O)OCc3ccccc3)[C@H]12 13443241 BECVLUDWCYQONT-BHYGNILZSA-N 398.503 3.453 0 1 GGAF O=C(CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NC[C@H]1CCCO1 14984013 OYMSFDHQRJBRNE-NFBKMPQASA-N 380.488 3.107 0 1 GGAF Cc1ccc2c(c1)[C@@H]([C@@]1(O)C(=O)N(Cc3ccccc3)c3ccccc31)C(=O)N2C 206045888 POLPZLJIRFYYTH-RCZVLFRGSA-N 398.462 3.490 0 3 GGAF CN(C)CCCCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166348337 VVCQRGHNTQXTMR-UHFFFAOYSA-N 380.492 3.306 0 1 GGAF CC/C=C\C/C=C\C[C@@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCC(=O)O 4654952 HLOKCEDYFAXGRQ-QBRJSEDQSA-N 378.509 3.375 0 1 GGAF in-vitro C=CC(=O)N1CC(n2cc(-c3cc4ccccc4s3)c3c(N)ncnc32)C1 1857581496 HLRISBLSHWIQBN-UHFFFAOYSA-N 375.457 3.465 0 1 GGAF CS(=O)(=O)c1cccc(N=c2ccc3nccc(-c4ccncc4)c3[nH]2)c1 1857752280 AKTXZLVVYUAACN-UHFFFAOYSA-N 376.441 3.261 0 1 GGAF C[C@H](Oc1ccccc1Cl)C(=O)NN1C(=O)CS[C@H]1c1ccccc1 1863274 UGFCCGKPYLFONG-SGTLLEGYSA-N 376.865 3.413 0 1 GGAF COC(=O)c1cc(-c2ccc(F)nc2F)nn(Cc2ccc(Cl)cc2)c1=O 1911570486 CJNRLWXWALQUTM-UHFFFAOYSA-N 391.761 3.072 0 1 GGAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NC[C@@H]2CCCO2)c1C 6948654 NHIKKAFIDXCCBE-KRWDZBQOSA-N 388.439 3.075 0 1 GGAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(OC)cc1OC 104116484 QPILFRBXNHTUIX-GROYHEBESA-N 387.440 3.362 0 1 GGAF Cc1nc(Cc2ccccc2)c(=O)[nH]c1CCCCNC(=O)c1cccs1 26276513 JOSRKYFXDORRGB-UHFFFAOYSA-N 381.501 3.483 0 1 GGAF C[C@H](O)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 22792413 AVTZVQMMLVOANB-KRWDZBQOSA-N 390.474 3.069 0 1 GGAF C[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 28712939 LILMACHWEDUPFV-MEKIYTOJSA-N 392.499 3.239 0 1 GGAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H](C)CO[C@]3(C)CC[C@H](O)C(C)=C[C@H]4O[C@H]3[C@H]2[C@H]41 2356635974 QQUBMUOPSYDXCO-OZFCVLLPSA-N 378.509 3.100 0 1 GGAF COC(=O)C=C[C@@H](C)[C@@H](C=CC1=CCC(c2csc(C(C)(C)O)n2)=N1)OC 2356698228 OCOUTWGSFBZLMO-CXAGYDPISA-N 390.505 3.384 0 1 GGAF COc1ccc(NC(=O)[C@H]2Cc3c(-c4ccncc4)ccnc3O2)cc1OC 61905462 PZVSFWRDFRUACN-LJQANCHMSA-N 377.400 3.103 0 3 GGAF COC1=C[C@@]2(Oc3ccc(-c4ccccc4OC)cc3C2=O)C(OC)=C[C@H]1O 73166568 OZSBCCYIWLJSNE-OPAMFIHVSA-N 380.396 3.111 0 1 GGAF CN1CC[C@@H]1COc1ccc2c(c1)C(=O)c1cc(OC[C@H]3CCN3C)ccc1-2 73197811 KYXIAASXCBFCEC-HZPDHXFCSA-N 378.472 3.064 0 1 GGAF C[C@@]1(c2cc(NC(=O)c3ncc(C#N)cc3F)ccc2F)C=CSC(N)=N1 147031996 JOEHIBRWNFEIQF-SFHVURJKSA-N 385.399 3.274 0 1 GGAF CC(=O)O[C@@H]1[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@](O)(CCc2ccoc2)[C@@H]1C 238753471 WVBHIVUCJQTJIG-XVAUHGKMSA-N 390.476 3.263 0 1 GGAF N[C@H]1CC[C@@H](CNC(=O)c2ccc(O)c3[nH]c([C@@H]4C[C@H]5CC[C@H]4C5)nc23)CC1 653671423 MRGFHHVXSDCNRD-NBFUAULTSA-N 382.508 3.419 0 1 GGAF N=c1[nH]c2nc(COc3ccc(Cl)cc3Br)nc-2c(Cl)[nH]1 586977942 RZYABTFWCWEGKP-UHFFFAOYSA-N 389.040 3.365 0 1 GGAF COc1cc2c3c(c1)O[C@@H](C(=O)Cc1cccc(Br)c1)[C@@H](C2)C3=O 587417952 NYIHTOPKELYIBF-IFXJQAMLSA-N 387.229 3.386 0 1 GGAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(O)nncc4[nH]3)cc2)c1C 586947582 UMSKYWUGWVDTFP-UHFFFAOYSA-N 395.444 3.143 0 1 GGAF O=C1CC=C(c2nc3cc(C(F)(F)F)ncc3[nH]2)NN1Cc1ccc(F)cc1 587163181 HVTKNMRUULRMSF-UHFFFAOYSA-N 391.328 3.394 0 1 GGAF COC(=O)c1ccnc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc12 587206687 YCFCEACBTNZZRR-GFCCVEGCSA-N 376.457 3.226 0 1 GGAF COC(=O)C[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585963 JAGPMPYUVDAGBZ-DENIHFKCSA-N 391.379 3.207 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1[C@H]3C(=O)[C@@H]4[C@H]5[C@H]3C[C@H]1[C@H]5[C@H]42 587831276 WWYSVDIYKZGUEL-ANQDDZTRSA-N 388.280 3.275 0 1 GGAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cccc(C)c2[nH]1 586946117 NUOSJJZHDQJBAN-HNNXBMFYSA-N 385.489 3.304 0 1 GGAF N=c1[nH]cc2nc(-c3cccc(N=c4[nH]c(-c5ccccn5)cs4)c3)nc-2[nH]1 587022140 VWIXXYQOJYIJMA-UHFFFAOYSA-N 386.444 3.068 0 1 GGAF Cc1cc(=NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]o1 587742637 LGKGAWKPDZHRNT-VVVCHXIZSA-N 396.260 3.085 0 1 GGAF Clc1ccc(Br)nc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587005722 PEVCKDDEXMYQHB-UHFFFAOYSA-N 376.605 3.017 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(N)=O)N1 587749057 MSXSKWWPOVQOFF-MLCYQJTMSA-N 393.256 3.076 0 1 GGAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4cncc(Cl)c4[nH]3)n2)cc1 587113338 PXCRQECVYRTLLD-UHFFFAOYSA-N 379.733 3.332 0 1 GGAF Cc1cnc(Cl)c2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc12 587024393 YEZAQHQEORSQKA-UHFFFAOYSA-N 399.867 3.405 0 1 GGAF COCC[C@]1(Cc2cccc(F)c2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963232434 NPOLIHGJPGLEAI-FYYLOGMGSA-N 394.446 3.447 0 1 GGAF Nc1ncnc2c1c(-c1cc(O)c(F)c(F)c1)nn2C1Cc2ccccc2C1 1772618261 VTASVRIYSRXJCL-UHFFFAOYSA-N 379.370 3.399 0 1 GGAF COc1ccc(NC(=O)N2CCC(CO)(C[C@@H]3CCCCO3)CC2)c(OC)c1 13596583 KHAZYODIMXBPFG-KRWDZBQOSA-N 392.496 3.269 0 3 GGAF COC(=O)[C@H]1[C@@H](c2cccc(I)c2)C[C@@H]2CC[C@H]1N2C 13738424 XUBVUMLIQBPHGD-YJNKXOJESA-N 385.245 3.031 0 1 GGAF COCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21 14943778 ADVCWNNPVNGABP-UHFFFAOYSA-N 385.423 3.336 0 1 GGAF CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)C[C@@H](C(C)(C)C)N2 169719749 HHRCCCSBAGJIMI-DRKNDHHNSA-N 399.539 3.132 0 1 GGAF COc1ccccc1Nc1ncc2c(n1)N(C1CCCC1)Cc1nnc(C)n1-2 1857556161 JLPJLXNITILWNC-UHFFFAOYSA-N 377.452 3.381 0 1 GGAF O=C(CCc1ccc(F)cc1)N1CCN(Cc2ccc(O)c3ncccc23)CC1 1857642820 GHOGSODPDQTYFD-UHFFFAOYSA-N 393.462 3.357 0 1 GGAF CN(CC(=O)O)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1 3815059 UFGHDYZMVXQBKH-UHFFFAOYSA-N 388.225 3.052 0 1 GGAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC(=O)N(CCN1CCCC1)C2=O 6482725 WKWNJPXBIBKJHF-CTVDGRRTSA-N 396.531 3.309 0 1 GGAF COc1ccccc1[C@H]1CC(c2cc(OC)c(OC)c(OC)c2)=NN1C(C)=O 28825551 VXIIUDXNEBFVSN-QGZVFWFLSA-N 384.432 3.419 0 1 GGAF O=C(c1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1)N1CCCC1 28761011 QIJOHKSCFIBHAO-QFIPXVFZSA-N 394.515 3.425 0 1 GGAF COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(OC)cc1OC 6381398 BKTMCDIBYBUMLR-GOSISDBHSA-N 397.431 3.091 0 1 GGAF biogenic Cc1cc(N2CCCN(C)CC2)nc(Nc2ccc(Br)cc2)n1 45302043 TZBBQUQJGHLWQZ-UHFFFAOYSA-N 376.302 3.433 0 1 GGAF CC[C@]12CC[C@@]3(COC(C)=O)[C@H](CCC4=C5[C@H](CC4)[C@H](C(=O)OC)C[C@]513)CN2 238774662 KSROFXNZRLENBT-XWBRHDOPSA-N 387.520 3.378 0 1 GGAF OC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(CC3CC3)CCCCN12 95875269 LPVOCHZCCVGHEL-VXNXHJTFSA-N 377.532 3.383 0 1 GGAF C[C@@H](Oc1cc(-c2cnn(C(F)F)c2)cc2ncsc12)[C@H]1CNC(=O)O1 473126517 UEXRLLQHLQCPLR-AMIZOPFISA-N 380.376 3.431 0 1 GGAF Cc1c(Br)cnc2[nH]c(CSc3ncccc3C(=O)O)nc12 586966367 CNKWKXDDPPUIMH-UHFFFAOYSA-N 379.239 3.414 0 1 GGAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Cl)ncnc2[nH]1 587114275 YJCSOQJBMRTRTB-OAHLLOKOSA-N 383.761 3.425 0 1 GGAF CN=c1[nH]c(SC)ncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610606 CYLQUVGAOJDFAV-QAPCUYQASA-N 395.440 3.071 0 1 GGAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 586963580 OMXKUHDNSMBWTM-QGZVFWFLSA-N 399.520 3.443 0 1 GGAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587070031 OXTVATRVRNLTCD-JTQLQIEISA-N 377.853 3.240 0 1 GGAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c(Cl)ccnc2[nH]1 586946224 VBAMMOSWYNRFGI-UHFFFAOYSA-N 394.865 3.411 0 1 GGAF Cc1cc(=NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]o1 587740641 DRLOZRZXQRWXNQ-XLFHBGCDSA-N 396.260 3.085 0 1 GGAF Fc1cnc(Cl)c2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc12 587111249 CZJIXXYQCHHPAZ-UHFFFAOYSA-N 397.723 3.471 0 1 GGAF CC[C@H](C(=O)NCCc1ccccc1)n1nc(C)n2c(cc3sccc32)c1=O 5108459 KYOCOFDUNRJQOY-MRXNPFEDSA-N 394.500 3.329 0 1 GGAF O[C@@H](COc1ccccc1CN1CCSCC1)CN1CCc2ccccc2C1 12711918 QWJSKUHNNGBIRK-JOCHJYFZSA-N 398.572 3.033 0 1 GGAF Cc1ccsc1CCNC(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12716789 XRDCHWOTTIJQIU-KRWDZBQOSA-N 388.508 3.336 0 3 GGAF O=C(/C=C\c1ccccc1)O[C@@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1 14487459 PUFYZCKVLOYPHL-CPWGXCQKSA-N 394.515 3.107 0 1 GGAF in-vitro COC(=O)/C(=C1/OC(=O)C(c2ccc(OC)cc2)=C1O)c1ccc(OC)cc1 154419467 VEJPFWDEGBXEMC-HTXNQAPBSA-N 382.368 3.114 0 1 GGAF CCC=CC[C@H](O)C=CC=CCC=CC=CC=C[C@@H](O)[C@@H](O)CCC(=O)O 2356340799 YKPLJNOOLKUEBS-HBMCJLEFSA-N 376.493 3.461 0 1 GGAF COc1cc2nc3n(c2cc1OC)[C@@H](O)c1c(Cl)nc(SC)nc1S3 3597036 CIMWSANVOPMHKO-ZDUSSCGKSA-N 396.881 3.223 0 1 GGAF COc1ccccc1CN1CCCC2(CCN(C(=O)c3cnccn3)CC2)C1 3955881 NBJHTHUPLJOXMP-UHFFFAOYSA-N 380.492 3.004 0 1 GGAF CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4208869 PWRDJVUJJWLJRD-DOTOQJQBSA-N 376.840 3.160 0 1 GGAF CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3F)c(C(N)=O)[nH]c2c1 28380195 VXWGLTPHZVFVSR-UHFFFAOYSA-N 382.413 3.100 0 1 GGAF CC(C)(C)c1ccc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100278846 QGHOMGKLGCKRDZ-KBAFEORJSA-N 393.483 3.333 0 1 GGAF O=C1[C@@H]2ON3c4ccccc4C(=O)[C@@]3(c3ccccc3)[C@H]2C(=O)N1c1ccccc1 105507669 MFGKNCXXMLCDSY-YOSAUDMPSA-N 396.402 3.088 0 1 GGAF COc1ccc(CC[C@H](C)NC[C@@H](O)c2ccc(C)c([S@](C)=O)c2)cc1 39316237 QDPVFSGOTRXMLH-CPTIDLKLSA-N 375.534 3.385 0 1 GGAF COC(=O)[C@H]1[C@@H](c2cccc(/C=C/I)c2)C[C@@H]2CC[C@H]1N2 36093265 AHEMMEONOCHONP-OIRGRMKOSA-N 397.256 3.489 0 1 GGAF Cc1ccc(C(=O)c2c3ccc(C(F)(F)F)cc3nn2CCC(N)=O)cc1 36383437 GJRZXBSRRLEFAE-UHFFFAOYSA-N 375.350 3.470 0 3 GGAF Cc1cc(C(=O)N2CCCN(c3cc(-c4cc(F)ccc4C)ncn3)CC2)no1 70725332 CEGNGVTVPFLGLC-UHFFFAOYSA-N 395.438 3.240 0 1 GGAF CC(=O)OC(C)(C)[C@@H]1Oc2cc3oc(=O)ccc3cc2[C@@H]1OC(=O)C=C(C)C 13461232 FOACRIIAKPYTRH-VQTJNVASSA-N 386.400 3.446 0 1 GGAF biogenic N[C@H](Cc1cnc(C23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1)C(=O)O 49804078 FEKXJCUMFUHJJW-ZTLYHTANSA-N 379.504 3.354 0 1 GGAF CC1(C)Cc2nc(N3CCOc4ccc(-c5cn[nH]c5)cc43)sc2C(=O)N1 40878277 KKPQTTPNOXAYBC-UHFFFAOYSA-N 381.461 3.128 0 1 GGAF COc1cccc(OC)c1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 473162784 MFJLFVLFCUKOQE-KBMXLJTQSA-N 386.423 3.310 0 1 GGAF O=C(O)c1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)cc1 299869208 UGBGFKPYESKXTB-UHFFFAOYSA-N 378.432 3.083 0 1 GGAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 299874340 BFVXDSIVYSWWMQ-NZSAHSFTSA-N 391.537 3.499 0 1 GGAF O=C(O)CSc1nnc(NC(=S)Nc2ccc(F)c(Cl)c2)s1 653725032 QBNNCUJAIKVBFD-UHFFFAOYSA-N 378.863 3.316 0 1 GGAF Nc1cccc(-c2cn3c(NC(=O)Cc4ccc(F)c(F)c4)cnc3cn2)c1 653678250 HUKYMCZULRZNDF-UHFFFAOYSA-N 379.370 3.438 0 1 GGAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586916617 MWKWZEGMRJJONC-KSFYIVLOSA-N 377.444 3.481 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CN(C)CC[C@@]2(C)O)N1 587762777 UQKGSKYWCBWIDW-DKCMENCQSA-N 385.321 3.040 0 1 GGAF COc1cc2c3c(c1)O[C@H](CCC(=O)[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433813 WWDXWZJTSSPNSE-SGIREYDYSA-N 389.448 3.074 0 1 GGAF CCNC(=O)CCc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 587229615 ABWVVNPQQZEAFM-UHFFFAOYSA-N 391.431 3.357 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(OC(F)(F)F)cccc41)[C@@H](C2)C3=O 587420901 IAMBVMXWIPVOKR-VOJFVSQTSA-N 391.301 3.189 0 1 GGAF Cc1c(Br)cnc2[nH]c(-c3cnc4ncnn4c3C(F)F)nc12 587128078 GFNBSWRPIWZYSA-UHFFFAOYSA-N 380.156 3.071 0 1 GGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(OC)cc2[nH]1 586965811 YSEMCBXRSNKVPU-UHFFFAOYSA-N 383.481 3.028 0 1 GGAF O=C(c1cccc2c1OCO2)c1c(CO)oc2cc(Br)cnc12 587276263 KUIPNBZXRCOSGX-UHFFFAOYSA-N 376.162 3.042 0 1 GGAF Cc1cc(NC(=O)[C@@](C)(O)C(F)(F)F)ccc1S(=O)(=O)c1ccccc1 13760168 SJEPCZDBIROJSP-MRXNPFEDSA-N 387.379 3.080 0 1 GGAF [O-][n+]1cc(CCOc2ncccc2-c2cncnc2)cc2c3ccccc3[nH]c21 169337419 WOZCIBLPTCKYOV-UHFFFAOYSA-N 383.411 3.428 0 1 GGAF CC[C@H](C)NC(=O)c1c(NC(=O)c2cccc(OC)c2)nc2ccc(C)cn12 1857589710 GRVKKBJFHKXGSK-AWEZNQCLSA-N 380.448 3.432 0 1 GGAF CC(=O)O[C@@H]1c2ccc3c(c2[C@](O)(c2ccc4c(c2)OCO4)[C@H](C)[C@H]1C)OCO3 2356341341 LWGQAENPDGXGNI-FAHSDMPUSA-N 398.411 3.270 0 1 GGAF COc1cc(CCC(=O)CC(=O)[C@@H]2C=Cc3[nH]ccc3[C@@H]2C[C@H](C)O)ccc1O 2356424877 XXIACEMGIURVEE-KYNGSXCRSA-N 397.471 3.388 0 1 GGAF CCCC[C@H](O)[C@@H]1CC[C@H]([C@@H]2CC[C@H]([C@H](O)CCCC3=C[C@H](C)OC3=O)O2)O1 2356349491 GTIXULIWYDDMNA-FNDYFNNGSA-N 396.524 3.036 0 1 GGAF COc1ccc(CNC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)cc1 4057242 GTYFWBJCFFHMIA-UHFFFAOYSA-N 387.439 3.176 0 3 GGAF CCOC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CC2)CC1=O 101345529 OMQFDHLDCXPTBM-KDNSLJGTSA-N 397.515 3.132 0 1 GGAF O=C(O)CC[C@@H]1N[C@H](C(=O)NCc2ccc(F)cc2)Cc2c1[nH]c1ccccc21 1911575266 ORULLWIUUKQDDN-OALUTQOASA-N 395.434 3.044 0 1 GGAF C[C@H](O)CNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1Cl 28644805 WMNUVNPAQCTKBM-ZDUSSCGKSA-N 394.866 3.383 0 1 GGAF CC(=O)N1CCc2cc(NC(=O)[C@]3(C)CCN3CCc3ccccc3)ccc21 61895457 BTKNVWRBPIHKLF-QHCPKHFHSA-N 377.488 3.241 0 3 GGAF COc1ccc2c(c1)[C@H](NCCN1CCN(c3ccccc3OC)CC1)CCC2 22937533 JCKQMQMMZHMRFM-JOCHJYFZSA-N 395.547 3.493 0 1 GGAF O=C1NCC2(N3CCOCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 116202423 OWGUGCNUZLQXNF-RKXGBWJPSA-N 376.500 3.165 0 1 GGAF CC(C)(C)OC(=O)C[C@@H]1C/C=C\CCC(=O)N[C@H](c2ccccc2)COC1=O 118263707 BJRLEQBLNKLHFN-ZZQVFJBOSA-N 387.476 3.475 0 1 GGAF COc1ccc(-c2cn3c(n2)CO[C@H](CNCc2ccccc2OC)C3)cc1 2356315269 IXSRLQPLFWGMTM-LJQANCHMSA-N 379.460 3.256 0 1 GGAF NC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2ccc(Cl)cc2)O3)c1 61897891 HGYMXYGMSWNTGD-SFHVURJKSA-N 393.830 3.443 0 3 GGAF CN(C)c1ccccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 33819345 ZIXKTTIVMNOVSV-QFIPXVFZSA-N 398.466 3.298 0 1 GGAF Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)[nH]c(=O)c1 71295953 SKKXVLCKZZMTFO-ZSEKCTLFSA-N 380.398 3.039 0 1 GGAF C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1c(Cl)cccc1Cl 219128192 QEQXHTORPUMEMD-JTQLQIEISA-N 389.246 3.086 0 1 GGAF C[S@@](=O)c1[nH]cnc1Cn1c2cnccc2c2ccc(Br)cc21 13452985 DJJPCRDJWUYAND-QHCPKHFHSA-N 389.278 3.461 0 1 GGAF biogenic Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCc1ccccc1F 82203579 LJUJAXBRIHWEKY-UHFFFAOYSA-N 378.455 3.258 0 1 GGAF Cn1ccn(-c2cccc(O[C@H]3c4ccccc4C[C@@H]3N3CCCC3)c2)c1=O 147756179 WXVVDXXTEDOABO-VXKWHMMOSA-N 375.472 3.317 0 1 GGAF COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@]34OC(=O)[C@@H](C)[C@H]3CC(=O)[C@]24C)cc1 238753581 ANKOXDUVGZYADZ-AALWEEHLSA-N 398.455 3.488 0 1 GGAF CCNC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 96286043 KXYWMKRIKCLADT-MRXNPFEDSA-N 393.486 3.476 0 1 GGAF CCC(=O)N(C)C[C@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(C)=O 95895932 LFVZONGIIWXQAC-QZNHQXDQSA-N 398.478 3.036 0 1 GGAF O=C(O)CCc1nnc(C(=O)Nc2ccc(OCc3ccccc3)cc2)s1 653861763 IOGHRSDXRXGSGD-UHFFFAOYSA-N 383.429 3.387 0 1 GGAF COc1ccc(-c2cnc3c(N4CCN(C(C)=O)CC4)snc3c2)cc1OC 653766338 QHWSFQUANDMMDO-UHFFFAOYSA-N 398.488 3.044 0 1 GGAF COC(=O)c1cccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c12 587243998 GLGYTDREMIBDAL-UHFFFAOYSA-N 390.399 3.489 0 1 GGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccnc(Cl)c2[nH]1 586964489 FXNAMOZUWJDCDS-UHFFFAOYSA-N 388.888 3.068 0 1 GGAF O=C(O)c1[nH]nc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553902 WMKCTRFQJXPYOB-BLLLJJGKSA-N 386.747 3.170 0 1 GGAF CN(Cc1nc2cc(Cl)nc(Cl)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170017 MIGYUAGSHUIDSZ-UHFFFAOYSA-N 389.239 3.225 0 1 GGAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587788151 XVERAFJUODTHQF-UHFFFAOYSA-N 392.503 3.447 0 1 GGAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 587049063 OCEBSOFNFSXRLE-UHFFFAOYSA-N 392.868 3.125 0 1 GGAF CC(C)(SCc1nc2ccc(I)cc2[nH]1)C(=O)O 586958374 BYLSPEWZOJZKGR-UHFFFAOYSA-N 376.219 3.264 0 1 GGAF COc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)n1 587771718 CLYSDJRISOHVPZ-RTHLEPHNSA-N 382.233 3.019 0 1 GGAF CNS(=O)(=O)c1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587530729 DOQWIAHUKDYFSG-OAQYLSRUSA-N 385.485 3.354 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cn2)OCCO3)N1 587779610 USFOCKCZQDWTJY-XYZCENFISA-N 379.229 3.378 0 1 GGAF COc1ccc(C)cc1NCCCc1nc2nc(Br)c[nH]c-2n1 587229052 MJWULVHYDOVKQZ-UHFFFAOYSA-N 376.258 3.429 0 1 GGAF CCOC(=O)/C(=C/c1ccccc1)CN1C(=O)[C@@H](OC)[C@H]1c1ccc(F)cc1 1772653539 VXBLBGKQZRISAT-KAWYEUNPSA-N 383.419 3.371 0 1 GGAF CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](C[S@@](=O)CC(=O)N2CCCCC2)C1 169349666 UYZIOAGSIQKHRT-QKSGUBBWSA-N 396.984 3.137 0 1 GGAF O=C(NCCO)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1 169710652 SWEZABHRXAIWJK-KRWDZBQOSA-N 397.456 3.119 0 1 GGAF O=C1c2ccccc2C2=NC(=S)N[C@@H](c3cccc(OCCCCO)c3)[C@H]12 169726091 QMAKEHDYYGZJGC-ROUUACIJSA-N 380.469 3.069 0 1 GGAF COc1cccc2c(=O)c3c(oc12)N1C[C@@H]2CCCN4CCC[C@@H]([C@H]24)[C@H]1CC3 1857602146 ZYIBEQAHESXLBF-JBZZYGANSA-N 380.488 3.427 0 1 GGAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC 4049436 URVBUDXXWOHXHI-IRLDBZIGSA-N 395.503 3.245 0 1 GGAF Cn1c(C(=O)O[C@@H](C(=O)NCc2ccco2)c2ccncc2)cc2sccc21 4923971 PHWSNEQTJLZOHV-GOSISDBHSA-N 395.440 3.442 0 3 GGAF O=C(NCc1ccco1)c1cccn2c(=O)c3c4c(sc3nc12)CCCC4 4971736 ZGWCBIZJHJRXRR-UHFFFAOYSA-N 379.441 3.311 0 3 GGAF COC(=O)c1cncc2c1C[C@@H]1c3[nH]c4ccccc4c3CCN1C(O)=C2O 2356648242 UHNFGQITXPBMRM-QGZVFWFLSA-N 377.400 3.247 0 1 GGAF CC1=C[C@H](CN2CCOCC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356827699 IONRYONYBJWANN-IPMKNSEASA-N 399.539 3.199 0 1 GGAF Oc1cc(O)c(-c2noc3cccc(NCCN4CCOCC4)c23)cc1Cl 72142566 RKXHWZRNOBYUDD-UHFFFAOYSA-N 389.839 3.304 0 1 GGAF CC[C@@H]1[C@@H]2CCCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)C[C@H]([C@H]23)[C@@H]2[C@H](C)C(=O)O[C@H]12 70454827 GYOGHROCTSEKDY-SNKOWYFYSA-N 375.509 3.015 0 1 GGAF biogenic,in-vitro COc1ccc(-c2[nH]nc(O)c2-c2cc(OC)c(OC)c(OC)c2)cc1OC 49068419 BUEMYFMQHDBXHP-UHFFFAOYSA-N 386.404 3.492 0 1 GGAF Cn1cc(-c2ccccc2)nc1CCn1nc2cccc(-c3ccncc3)n2c1=O 147757998 TVOVAOISXZQWKU-UHFFFAOYSA-N 396.454 3.201 0 1 GGAF O=C1C[C@@H](c2ccc(Cl)cc2)C(=O)N1CN1CCN(C2CCCCC2)CC1 96938044 FNYZYFXWQGESPJ-IBGZPJMESA-N 389.927 3.090 0 1 GGAF O=C1CC=C(c2nc3cc(F)c(F)c(F)c3[nH]2)NN1Cc1ccc(F)cc1 587162417 BWYWOLFBPHUCCP-UHFFFAOYSA-N 376.313 3.397 0 1 GGAF Cc1c(F)ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c12 587121040 PAVAYTLSPWMIBN-UHFFFAOYSA-N 393.344 3.434 0 1 GGAF N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(Br)cc1F 587145252 VGYYISQHBOCOPD-LBPRGKRZSA-N 392.228 3.478 0 1 GGAF CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(OCC(=O)O)=CO1 587831150 GXKRUEHOHBILAB-HUTHGQBESA-N 398.228 3.194 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ncc(Br)cc1OC)[C@@H](C2)C3=O 587416542 CNFMONHCBFSMNB-GTNSWQLSSA-N 376.206 3.350 0 1 GGAF Nc1ncnc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc12 587026753 MMZMBQLQUDLAAX-MCIONIFRSA-N 382.493 3.072 0 1 GGAF NCCOCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587245451 SPJGLWGHNFNRFJ-UHFFFAOYSA-N 378.354 3.309 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sc(=N)[nH]c1C 587864979 XHMZRVMMMXLXCF-UHFFFAOYSA-N 382.367 3.443 0 1 GGAF CCOC(=O)CC[C@]1([C@H](C)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792301 BMEUHSQETYANJS-PSVSLLHZSA-N 388.277 3.042 0 1 GGAF Cc1cc(Br)c2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c2c1 586940021 VXWLGBQQWXJHSQ-UHFFFAOYSA-N 397.298 3.316 0 1 GGAF COc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587591096 BDRDQCPNTNGXAA-PGRDOPGGSA-N 389.363 3.210 0 1 GGAF CCN(c1ccc(-c2csc(Cc3nc(O)cs3)n2)cc1)S(C)(=O)=O 587923647 ZKUADPCTOFCCLK-UHFFFAOYSA-N 395.531 3.349 0 1 GGAF COC(=O)[C@H](C)Oc1c(Cl)cc([C@H]2NCCc3c(C)ccnc32)cc1OC 963070133 FDIVLBVDJSILTP-YVEFUNNKSA-N 390.867 3.227 0 1 GGAF CCOC(=O)C(=O)C[C@]1(CC(C)C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963639567 VPNHJZJJNFBWHM-SZNDQCEHSA-N 377.481 3.002 0 1 GGAF CN1C(=O)C[C@H]2CN[C@@H](c3c(Br)ccnc3F)c3cccc1c32 963022675 HILOHSIUHCCWOE-XXFAHNHDSA-N 376.229 3.126 0 1 GGAF NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1[C@@H]1CC[C@H](C2)N1 1772621866 PPORYINNAXQGTO-MNOVXSKESA-N 376.869 3.494 0 1 GGAF Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(O)ccc43)cnc2n1 13560817 XMDYYIQNDSEQJW-UHFFFAOYSA-N 383.415 3.112 0 1 GGAF Cc1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)cc1 13760174 PZKSFZFNOIBOPY-MRXNPFEDSA-N 387.379 3.080 0 1 GGAF CCCC[C@]12[C@@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 169335563 DTVYAHOULQCSMS-FQGIHTCHSA-N 387.476 3.090 0 1 GGAF C[C@H]1C[C@@H](Nc2cc(=O)[nH]c3ccccc23)CCN1C(=O)c1cnn(C)c1Cl 169351301 XFNXFHLSJLRKQN-STQMWFEESA-N 399.882 3.020 0 1 GGAF Cc1nn(C)cc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2C(=O)N(C)C)c1 169352667 CZKOZZRYDBLSRF-CYBMUJFWSA-N 397.454 3.354 0 1 GGAF in-vitro Cn1cc(CN2C[C@H](F)[C@H](OCc3nc4cccnc4[nH]3)C2)c2ccccc21 2356387227 MEGWTEICJJHJBD-QFBILLFUSA-N 379.439 3.189 0 1 GGAF CCOC(=O)Cc1cc(O)n2nc(COC)c(-c3ccc(Cl)cc3)c2n1 9261040 DIKRZLKCXAHRDI-UHFFFAOYSA-N 375.812 3.007 0 1 GGAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@]4(CC2)CN(CCc2ccccc2)CC[C@@]314 100789408 WLSQQOZOVMNIED-MNPDLOSFSA-N 389.495 3.203 0 1 GGAF O=C(O)c1ccc(OC2CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 103269884 RMDLWEQKSRAHQE-UXHICEINSA-N 380.444 3.494 0 1 GGAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](Oc3ncccc3C)CC[C@H]2C)c1 118561449 NIJNBEMGKNLDQD-QZTJIDSGSA-N 391.475 3.351 0 1 GGAF O=C(Nc1ccc(Cl)c(Cl)c1)N1CCNC[C@@H]1COc1cccnc1 114575374 AUDRSMHHBOAIOA-CYBMUJFWSA-N 381.263 3.273 0 1 GGAF O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(O)cc1 115656856 VCPCQXYRFKIUFS-HSZRJFAPSA-N 388.398 3.344 0 1 GGAF CS(=O)(=O)Cc1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 113342563 LDHMTLKGXAMHJD-HXUWFJFHSA-N 398.532 3.184 0 1 GGAF Nc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1 27727907 ADDMUZHOJJCOGH-UHFFFAOYSA-N 394.519 3.135 0 1 GGAF CCNc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)ncc12 210842037 UZDJMBVYGMDPGV-AEFFLSMTSA-N 380.452 3.432 0 1 GGAF CC(C)CCNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@@H](C)N2 82206940 RFJSWQGHJLGQIM-MRXNPFEDSA-N 392.503 3.484 0 1 GGAF O=C(NN1C(=O)CCS[C@@H]1c1ccccc1C(F)(F)F)c1ccncc1 84616609 QRKKMJDKKIBVDK-MRXNPFEDSA-N 381.379 3.410 0 1 GGAF N[C@H]1CCCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2cccc3[nH]ccc23)n1 147027287 VUDNWOXOTVDYJR-WMLDXEAASA-N 389.463 3.225 0 1 GGAF O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 95893974 CJAIOKNDHHIDHT-FSSWDIPSSA-N 377.488 3.061 0 1 GGAF Cc1cc(N2CCOCC2)nc(NCCNc2ccnc3cc(Cl)ccc23)n1 653890204 CAECPQWEZRIXHE-UHFFFAOYSA-N 398.898 3.347 0 1 GGAF OC[C@H](O)CN1[C@H](CCc2ccc(O)cc2)CCC[C@@H]1CCc1ccc(O)cc1 653711438 IKHYDTSQYSEDSO-ZFGGDYGUSA-N 399.531 3.240 0 1 GGAF CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 587234293 DVVVDGJYBDKPOH-GJZGRUSLSA-N 389.415 3.138 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3ccccc3OC2=O)N1 587838147 ASQNGKXVLQDHGP-XTZNXHDOSA-N 376.225 3.479 0 1 GGAF O=C(N[C@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)C(=O)O)OCc1ccccc1 587202159 GEOPGLHPMHCWKZ-OAHLLOKOSA-N 391.786 3.278 0 1 GGAF COc1ccc2c(c1)O[C@@H](c1ccccc1)C(=O)[C@]21NCCc2c(C)ccnc21 963067979 BGPHBQLJSSTZFJ-URXFXBBRSA-N 386.451 3.491 0 1 GGAF Cn1cccc1CN1CCc2sccc2[C@@]12CCCC[C@@H]2S(C)(=O)=O 962399444 PTNCOIOBIPCBML-RBUKOAKNSA-N 378.563 3.327 0 1 GGAF COc1cc([C@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(F)cc1O 962730342 NIKVGSVKGOGCRH-RDTXWAMCSA-N 383.341 3.449 0 1 GGAF O=C(CCc1nnc(-c2ccsc2)o1)N1CCCC[C@H]1CCn1ccnc1 12433992 IIQDYJUSKOCVMN-INIZCTEOSA-N 385.493 3.399 0 3 GGAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCC[P@@](C)(=O)O 13470215 ROXZAUCDLDATPM-LFZNYWNYSA-N 388.485 3.468 0 1 GGAF CCCS(=O)(=O)Nc1cccc(-c2ccc3c(=NC(=O)C4CC4)[nH][nH]c3c2)c1 1857598460 JEESDCKVMQTTMP-UHFFFAOYSA-N 398.488 3.152 0 1 GGAF O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1cccc(F)c1 1857758195 HEMINAGJAZJACC-UHFFFAOYSA-N 398.459 3.234 0 1 GGAF CCCSc1nc(NC)ccc1C(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 101550196 RVUNIPZUTBSHTG-REZNSDQESA-N 375.538 3.295 0 1 GGAF CC(=O)N1[C@@H]2CN(CC(F)(F)F)C[C@@H]1C2c1ccc(Br)cc1 100087987 UGADQBGRJQOXJV-CHWSQXEVSA-N 377.204 3.010 0 1 GGAF Cc1ccc(S(=O)(=O)N(c2cccc(N3CCN(C)CC3)c2)C(C)C)cc1 58575580 KLSOKUSTXVFTQF-UHFFFAOYSA-N 387.549 3.351 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@H]1c3cc(OC)c(OC)cc3CC(=O)[C@@H]1CC2 2356329075 RRWBGJAHMCDNMY-RCDICMHDSA-N 396.439 3.375 0 1 GGAF O=C(NCc1cccnc1)c1cc([C@H]2CCCCN2C(=O)c2cccs2)on1 61908491 HXTRHLUUXICCPI-MRXNPFEDSA-N 396.472 3.429 0 3 GGAF O=C(O)[C@@H]1C/C(=C2/NC(=O)N(c3ccccc3)C2=O)c2ccc(Cl)cc2N1 28823022 DGJFOKSXPJLLMX-WSTOHFRZSA-N 383.791 3.076 0 1 GGAF COc1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@H]2N3)cc1 117209474 QSHJSYZBWBFQIJ-FZKQIMNGSA-N 382.485 3.369 0 1 GGAF COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(CCC(C)C)CC2)cs1 2356588302 OWIHOIKYKIZYSI-KRWDZBQOSA-N 381.586 3.083 0 1 GGAF C[C@@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(C(=O)C1CC1)CC3 66139508 PYYZXCSHEAVJPQ-OAHLLOKOSA-N 378.472 3.417 0 1 GGAF Cc1c(NCc2nnc(Cc3ccccc3)o2)c(=O)n(-c2ccccc2)n1C 73162139 YMGAQDPIZQYVOH-UHFFFAOYSA-N 375.432 3.070 0 1 GGAF Cc1ccc(-c2nc(C(=O)N[C@H](CSCc3ccccc3)C(N)=O)co2)cc1 82071529 SEVQAXIAPGVGLL-GOSISDBHSA-N 395.484 3.167 0 1 GGAF CC(C)(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1 40430523 AWGXEGNEJAFGFA-UHFFFAOYSA-N 385.508 3.282 0 1 GGAF CCOc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1 223425763 FMNRPWQOSKXAQP-HUUCEWRRSA-N 389.463 3.231 0 1 GGAF COc1cc(O)c2c(c1)OC[C@@](O)(c1ccc3c(c1OC)C=CC(C)(C)O3)C2=O 238788989 DBYYEVTTXJMFLT-JOCHJYFZSA-N 398.411 3.057 0 1 GGAF C=CC(=O)N1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)C1 618017535 MXYKRMSIEHXYNX-VIFPVBQESA-N 391.187 3.441 0 1 GGAF Cc1ncc(C2([C@@H](C)NC(=O)c3cccc(F)c3Cl)CCOCC2)cn1 473194956 XWEMSXOCKDYDPD-GFCCVEGCSA-N 377.847 3.444 0 1 GGAF O=C1CC2(N3CCOCC3)C[C@H](c3ccccc3)C(N1)[C@@H](c1ccccc1)C2 299853858 RBBUIPXUEHVAQX-WXYTXABISA-N 376.500 3.307 0 1 GGAF CCc1ccc([C@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587825338 HALJZHWTUHWYSE-WLRWDXFRSA-N 394.284 3.239 0 1 GGAF Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CN[C@@H](C(=O)O)[C@H]41)-c1ccccc1C2=O 587096388 JIYORLFRJOZVJA-XUTBRHNUSA-N 384.435 3.457 0 1 GGAF Cc1cc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1Br 586977534 QKWSVXKXHPGRDI-UHFFFAOYSA-N 381.251 3.471 0 1 GGAF Nc1cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2cc1N 587019470 OEWDLGVUZXICDM-UHFFFAOYSA-N 379.449 3.419 0 1 GGAF CC(=O)c1cnn(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587765277 SEUNLQJWDCQNMK-XLFHBGCDSA-N 380.261 3.322 0 1 GGAF CCOC(=O)C[C@@]1(COCc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587397867 BXWQPHXATXSEEF-JOCHJYFZSA-N 383.444 3.451 0 1 GGAF CC1CCC(NS(=O)(=O)Cc2nc3c(Cl)c(Cl)cnc3[nH]2)CC1 586952513 HBFFLUKCSUKUJR-UHFFFAOYSA-N 377.297 3.263 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc(S(N)(=O)=O)c1 587863628 NRPFWJRRIHYGJJ-UHFFFAOYSA-N 397.378 3.214 0 1 GGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21C(=O)Nc2c1ccc(Cl)c2F 963634096 JCKUJHPFMQUOBI-ZRNGKTOUSA-N 376.815 3.226 0 1 GGAF Cc1cc2c(cc1O)[C@](c1ccc(F)cc1)(c1ccccn1)N[C@H](C(=O)O)C2 963553081 RJDCNCOYKCUZBB-PGRDOPGGSA-N 378.403 3.126 0 1 GGAF COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCc1cccn1C)C(C)(C)C)CC2 13588137 PQFAHNADQUUXGS-OAQYLSRUSA-N 399.535 3.132 0 1 GGAF O=C1CSC[C@@H]2Nc3ccnn3[C@@H](c3ccc(F)c(Br)c3)[C@@H]12 169305787 YNZQUMXEPSTFGV-GLQYFDAESA-N 382.258 3.100 0 1 GGAF Cc1cc2ccccc2n1CCNC(=O)c1ccc(CN2CCN(C)CC2)cc1 169351862 AJSCOBFZLKXGDS-UHFFFAOYSA-N 390.531 3.127 0 1 GGAF CC1=NC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]1C(=O)OCc1ccc2c(c1)OCO2 169687110 MWZUMLFQXTXCOK-MSOLQXFVSA-N 384.363 3.139 0 1 GGAF CC1=NC(=O)N[C@@H](c2ccc(OCCn3ccc4cccnc43)cc2)[C@@H]1C(=O)O 169720022 KSMZYXUDMFKJJQ-MSOLQXFVSA-N 392.415 3.041 0 1 GGAF CCCCn1cnc2c(Nc3ccccc3)[nH]c(=N[C@H]3CC[C@H](N)CC3)nc21 1857645662 FNTQVQIFZYLQGX-JCNLHEQBSA-N 379.512 3.474 0 1 GGAF CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCCOC 4049629 PASHBLHEUQRNGC-TZIWHRDSSA-N 382.460 3.330 0 1 GGAF CCOC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2C 100741992 VOUOGJPPHPSUFT-KLHDSHLOSA-N 399.272 3.421 0 1 GGAF CC[C@@H](C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncncc23)c1F 113486939 CTWASYGJJOSPKW-SECBINFHSA-N 394.403 3.007 0 1 GGAF COCOc1cccc(CN2CC[C@@]2(C)C(=O)Nc2ccc3c(c2)OCO3)c1 61908784 ZIRGCEYSSCSSLE-NRFANRHFSA-N 384.432 3.001 0 3 GGAF C[C@@H](CC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356857387 SHUYNJFEXPRUGR-FHCGUCBVSA-N 394.552 3.059 0 1 GGAF C=CC(=O)N1C/C=C/[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 34961666 HHDMXLOVTSZBQV-KTBYTZPXSA-N 394.446 3.489 0 1 GGAF CC(C)CN(CC(C)C)C(=O)C1=NO[C@H](C(O)(C(F)(F)F)C(F)(F)F)C1 36184803 UNOCSFJUHMZNAU-NSHDSACASA-N 392.340 3.128 0 1 GGAF COc1cccc(CCNc2ncnc3c2CN(c2ccc(C)cn2)CC3)c1 35077839 ITSIBNLFWYAWRJ-UHFFFAOYSA-N 375.476 3.406 0 1 GGAF C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(cc3c(c1O)C(=O)NC3=O)O2 6488398 MOKUWDUXHMMMFK-DHGYGPGASA-N 399.487 3.183 0 1 GGAF biogenic CC(=O)Nc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 40975195 XVVDQYOZEAHZMG-UHFFFAOYSA-N 376.416 3.187 0 1 GGAF Cc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCC(=O)CC4)c3)cc12 45338774 XUMIPJIUZHIYFQ-UHFFFAOYSA-N 390.439 3.221 0 1 GGAF CC(=O)NCCn1c(C(C)C)nc2c(NCCCc3ccccc3)ncnc21 82180034 YBFFYUMLVSQDIQ-UHFFFAOYSA-N 380.496 3.131 0 1 GGAF COc1ccc(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)cc1 96908634 CNXODVDGIBSDFK-MDZDMXLPSA-N 379.434 3.134 0 1 GGAF COc1cc(OC)cc(Oc2c(OC(C)=O)cc(OC)cc2OC(C)=O)c1 238741955 LXWLTECVUVPXRW-UHFFFAOYSA-N 376.361 3.355 0 1 GGAF CCN(C[C@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)C(=O)c1ccncc1 95895096 OPNPVISNSSGKSU-ZLNRFVROSA-N 391.515 3.228 0 1 GGAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)s1 587023322 IQDHTQGBKHBIIB-UHFFFAOYSA-N 396.450 3.280 0 1 GGAF C[C@@]1(c2c[nH]c3ccccc3c2=O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730336 NHPFMBOYEXEKJO-YLJYHZDGSA-N 386.373 3.437 0 1 GGAF COc1cc(O)c2c(=O)c3c(oc2c1)-c1c(O)cc(O)c2c1[C@@H](C3)C(C)(C)O2 13373247 NMKFZSNRHNHWLX-SNVBAGLBSA-N 382.368 3.396 0 1 GGAF endogenous,in-man CO[C@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCOCC1 13529128 CHMBYHSJYWRQPA-IFMALSPDSA-N 385.504 3.079 0 1 GGAF CN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(Cl)c21 13745305 NOUFRUDKXAWDDP-UHFFFAOYSA-N 384.827 3.455 0 1 GGAF CCCCOc1cc(C(=O)O)cc(S(C)(=O)=O)c1C(=O)c1ccccc1 169341365 RPFQXAWNXKXMAH-UHFFFAOYSA-N 376.430 3.198 0 1 GGAF Ic1cccc(-c2noc(C[C@@H]3CN4CCC3CC4)n2)c1 1857593944 OCMXEQACQQNVIP-CYBMUJFWSA-N 395.244 3.226 0 1 GGAF Cc1ccccc1Cc1c(C)nc2nc(SCC(=O)NC3CC3)nn2c1C 2461246 PAGFJWVFVXVWJU-UHFFFAOYSA-N 381.505 3.011 0 1 GGAF O[C@@H](COc1ccc(Cl)cc1)CN1CCN(Cc2ccccc2F)CC1 57949856 CHFIGLMVTJTJGU-GOSISDBHSA-N 378.875 3.037 0 1 GGAF O=C(O)CCC/C=C\C[C@@H]1[C@H](/C=C/[C@H](O)C2CCCCC2)[C@H]2O[C@H]1[C@H]1O[C@H]21 101386477 BLPTUHHFIMEDBU-ANDBKLEFSA-N 376.493 3.466 0 1 GGAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@]4(CC2)CN(Cc2ccccc2)CC[C@@]314 101194973 NDPFOBRCDSRAHC-ZMUKGBGYSA-N 375.468 3.160 0 1 GGAF C[C@@H](O)[C@H](O)c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1 114627409 LMXSTTBJWGBGPF-ODXCJYRJSA-N 382.391 3.193 0 1 GGAF CC1(C)CC[C@@H](C(=O)N2CCC[C@H]2C(=O)O)[C@H]1SC(=O)c1ccccc1 27412228 TXJJUUYYKFMQBQ-OWCLPIDISA-N 375.490 3.440 0 1 GGAF COc1cc(C(=O)c2ccc3c(ccn3CCN(C)C)c2)cc(OC)c1OC 28710814 SPKVPTTZRPHNLX-UHFFFAOYSA-N 382.460 3.460 0 1 GGAF COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc(OC)c1O 28635465 WQXZSCSXVJCPOG-BMHXQBNDSA-N 386.400 3.213 0 1 GGAF COC(=O)CCn1c(=O)c(-c2ccc(OC)cc2)cc2c(OC)cc(OC)cc21 26573343 ZTYRLNIVULKCEA-UHFFFAOYSA-N 397.427 3.257 0 1 GGAF CC1=C[C@H]([C@@H]2O[C@@H]3CCCn4c([C@@H]5C[C@H](C)C(=O)O5)ccc4[C@@H]3[C@@H]2C)OC1=O 2356754663 JAIHEXISEDXFLY-PTDIEKTNSA-N 385.460 3.265 0 1 GGAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(O)c1 28572341 IIZAOGXLJXSPNY-PKOBYXMFSA-N 377.481 3.102 0 1 GGAF C[C@H]1Cc2cc(Cl)cc3[nH]c(=O)c(=O)n(c23)[C@@H]1CC(=O)Nc1ccccc1 29333858 VUSWALRKFYHWTM-MEDUHNTESA-N 383.835 3.105 0 1 GGAF O=c1c2ccccc2cnn1CCCN1CCN(c2cccc(Cl)c2)CC1 35080227 STOPJAFEEHXVBB-UHFFFAOYSA-N 382.895 3.262 0 1 GGAF CN1C[C@H](C(=O)Nc2ccc(Cl)nn2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 34800953 WNVXZCMENBYWES-XNRPHZJLSA-N 381.867 3.210 0 1 GGAF COc1ccc(C2=Nc3c(N)ncnc3N[C@H](c3ccc4c(c3)OCO4)C2)cc1 40422236 FBCMGGUKXIONDR-INIZCTEOSA-N 389.415 3.474 0 1 GGAF CC(=O)NCCn1c(CC(C)(C)C)nc2c(NCc3ccccc3)ncnc21 82178723 OOZOVRSNPVNFQC-UHFFFAOYSA-N 380.496 3.163 0 1 GGAF CCCCN1CC[C@@H](Cc2noc(-c3cc(Cl)c(N)c4c3OCCO4)n2)C1 84741441 GKHWFOIVRKJXLS-LBPRGKRZSA-N 392.887 3.408 0 1 GGAF O=C(Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)NC1CCCC1 147359475 LVHYWHCMWOBGGO-UHFFFAOYSA-N 384.455 3.443 0 1 GGAF CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@H]1CCN(C2COC2)C1 146455509 JCZIHXQHUKXTMQ-LBPRGKRZSA-N 395.429 3.315 0 1 GGAF C/C=C(/C)C(=O)O[C@H]1CCC2=C[C@@]3(O)OC(=O)C(C)=C3[C@@H](OCC)[C@]2(C)[C@H]1C 238732778 CKEDEJUNOHYEPP-VAAPHRCGSA-N 390.476 3.208 0 1 GGAF CC[C@H](c1nnnn1C(C)(C)C)N1CCC(n2c(O)nc3ccccc32)CC1 95604080 QOKHIGDVODVHRM-MRXNPFEDSA-N 383.500 3.272 0 3 GGAF CC(=O)OC[C@]1(O)OC[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@H](O)CC[C@]54C)[C@@H]2CC[C@@H]13 299850701 YXPQDCQGNXNNDX-XKTOUXLPSA-N 392.536 3.268 0 1 GGAF CCCCCOc1cc2nc(-c3c[nH]c(=N)nc3O)[nH]c2cc1Br 587253354 IXQITVPSTIIKTN-UHFFFAOYSA-N 392.257 3.470 0 1 GGAF CCOC(=O)C[C@@]1(CCOC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791308 HGAGBQMNFIBYSW-APPDUMDISA-N 388.277 3.307 0 1 GGAF CC(C)(C)c1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1 586954451 BMDOLKQNOHKQIV-UHFFFAOYSA-N 398.532 3.427 0 1 GGAF CCOC(=O)[C@H](C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(C)=O 587593501 DVWPALSLHFVLJM-QRFQSNJMSA-N 398.411 3.271 0 1 GGAF Cc1cncc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 587169913 KXOJWXXEUBALKA-IBGZPJMESA-N 396.447 3.473 0 1 GGAF CC[C@]1([C@@H](N=O)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335203 JJEDRXVEQDQFIC-QRFRQXIXSA-N 387.363 3.347 0 1 GGAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc([C@H](N)N=O)cc3[nH]2)C(F)(F)C1 587132848 VVHKFWONODLKGW-GXFFZTMASA-N 381.383 3.256 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4ccnc4)c1)[C@@H](C2)C3=O 587432793 ZFEIYLUNZGKAMT-HTAPYJJXSA-N 376.412 3.437 0 1 GGAF COC(=O)c1cc2[nH]c(C(F)(Br)Br)nc2cc1OC 587086706 GWVBVUFXKTWLIG-UHFFFAOYSA-N 396.010 3.228 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1S(=O)(=O)c1ccccc1)O2 587409115 KIRAWQDOINLDKJ-IBGZPJMESA-N 382.441 3.322 0 1 GGAF Cc1nn(CCO)c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587753520 AXWRYJSFWVTJOK-XLFHBGCDSA-N 382.277 3.017 0 1 GGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cncnc2C(F)(F)F)N1 962974646 KVBQODBRGWSVHK-CABZTGNLSA-N 393.699 3.115 0 1 GGAF CCCc1noc([C@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)n1 963174027 AKPGDNPKDZVMMY-AAEUAGOBSA-N 389.761 3.383 0 1 GGAF Cc1c(F)ccc2c1[C@@](CNC(=O)OC(C)(C)C)(Cc1ccnnc1)NCC2 962089054 FRPMBLVMMJEUSB-NRFANRHFSA-N 386.471 3.033 0 1 GGAF C[C@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(c2ccccc2)C1 1772650323 YXFFJIRNASUZLY-CQSZACIVSA-N 379.464 3.044 0 1 GGAF COc1cc([C@H]2c3[nH]c4ccc(F)cc4c3C[C@H]3COC(=O)N32)cc(OC)c1O 5855012 VHFRHIVDBVWKMA-BUXKBTBVSA-N 398.390 3.496 0 1 GGAF c1cnc(-n2cccc2CN2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)nc1 12306623 XRPWSSFFWDZDBF-QGZVFWFLSA-N 377.448 3.073 0 1 GGAF O=C(O)CCc1c(/C=C2\C(=O)Nc3ccc(C(=O)O)cc32)[nH]c2c1CCCC2 3815532 WEEGIHLRCOYVPM-GDNBJRDFSA-N 380.400 3.102 0 1 GGAF CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)[C@H](O)CC 3939641 DXWFIHMYKMOOAL-JKSUJKDBSA-N 383.500 3.376 0 1 GGAF O=C(CCCN1C(=O)c2ccccc2Sc2ncccc21)NC[C@@H]1CCCO1 6797083 PNAOJQKWLFURIU-HNNXBMFYSA-N 397.500 3.268 0 1 GGAF Cc1ccc2c(c1)[n+](=O)c(C(=O)NCc1ccc(C(F)(F)F)cc1)c(C)n2O 64446850 CCQFMAFALLMYLV-UHFFFAOYSA-O 392.357 3.359 0 1 GGAF O=C1N(Cc2ccc(F)cc2)c2ccccc2[C@@]1(O)c1ccc2c(c1)OCO2 71333233 WMTRAEBQVCKXAT-QFIPXVFZSA-N 377.371 3.337 0 1 GGAF C[C@H]1CCC[C@@H](C)N1CCCNC(=O)Cn1ncc2c3ccccc3nc-2c1O 102870008 ZHLOXSRHSSLIDC-IYBDPMFKSA-N 395.507 3.011 0 1 GGAF CCOC(=O)Nc1cccc([C@@H](C)Nc2ncnc3c(C(N)=O)cccc23)c1 114344260 SRNFZCPMRRFGPA-GFCCVEGCSA-N 379.420 3.470 0 1 GGAF Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2ccccc2Br)n1 169014411 OUDRBZOMWXKLSN-UHFFFAOYSA-N 397.236 3.238 0 1 GGAF CC1(C)[C@@H]2CC[C@@]1([C@H](O)CN1CCN(c3ccc(Cl)cc3)CC1)C(=O)C2 169333731 UAJORIAKSVSWGD-VMRPVKRXSA-N 376.928 3.218 0 1 GGAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cncnc3[nH]1)C(=O)OC2 586915019 FOFVROASAUEZCF-WCIBSUBMSA-N 394.431 3.168 0 1 GGAF CN1CCN(c2ccc3nc(-c4ccnc(OCC(F)(F)F)c4)[nH]c3c2)CC1 587092025 QSBZBINTHIBVAF-UHFFFAOYSA-N 391.397 3.318 0 1 GGAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)cc2N1 587126152 WFVZYKQHRQEDGK-ISVAXAHUSA-N 399.398 3.137 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(C)c2c(C(F)(F)F)cccc21 587381510 GLFNFNVGYHBGHO-GOSISDBHSA-N 376.334 3.433 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(C)c1Oc1cccnc1)[C@@H](C2)C3=O 587430877 HTHXWGVBQVHCDX-YWZLYKJASA-N 377.400 3.413 0 1 GGAF CN(Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1)S(C)(=O)=O 587530302 FPYFWLINUJECLS-LJQANCHMSA-N 389.473 3.256 0 1 GGAF COC1=C[C@]2(C[C@H](C(=O)O)C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587810792 LRXCOAKAXVPIAM-JHXNIKBNSA-N 384.245 3.343 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(O)c(C)c1O 587867912 QMONIGIXGQZPKG-UHFFFAOYSA-N 393.321 3.381 0 1 GGAF O=C(c1ccn(Cn2cc(Cl)cn2)n1)n1nc2cc1Oc1ccc(F)cc1-2 587874380 YCKMNMXFLDTSJD-UHFFFAOYSA-N 384.758 3.036 0 1 GGAF COC(=O)c1cc2[nH]c(C3CCC(OC[C@@H](C)OC)CC3)nc2cc1OC 587952378 PRCOOCPFZMEMEO-IYXRBSQSSA-N 376.453 3.436 0 1 GGAF Cn1cc(-c2ccc(=O)n(Cc3cccc(Nc4nc5ccccc5[nH]4)c3)n2)cn1 653692837 VLBJTTAPCQKBLH-UHFFFAOYSA-N 397.442 3.312 0 1 GGAF CCCCCC(=O)N[C@H](C(=O)NCCN)c1ccc(OCc2ccccc2)cc1 1911583118 ZUUXCUZCQJHDHF-QFIPXVFZSA-N 397.519 3.078 0 1 GGAF CSc1ncnc2c1ncn2CCCNC1CCN(Cc2ccccc2)CC1 61922466 STMVFNGBSKXPMM-UHFFFAOYSA-N 396.564 3.193 0 3 GGAF CC(C)CS(=O)(=O)N[C@@H](C)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 2356302026 KDTYCXNDLQFGER-JTQLQIEISA-N 386.857 3.330 0 1 GGAF CC[C@H](C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 3896019 NPILYSKRYGCCQY-YJBOKZPZSA-N 380.554 3.442 0 1 GGAF O=C(O)[C@H]1Cc2cc(S(=O)(=O)c3cccs3)c(Cl)c(Cl)c2O1 28003315 FULQLTVJEXYJSG-SSDOTTSWSA-N 379.242 3.276 0 1 GGAF CCNC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1 59114532 QAXSLEDHLDQAFD-UHFFFAOYSA-N 391.515 3.197 0 1 GGAF O=C1CSC[C@H]2Nc3ccnn3[C@H](c3ccc(F)c(Br)c3)[C@H]12 29248704 YNZQUMXEPSTFGV-BYCMXARLSA-N 382.258 3.100 0 1 GGAF COC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N(C)C2 27721744 LCWYVYCRRLOAFG-AEAUEXCSSA-N 399.272 3.278 0 1 GGAF CC(=O)Nc1cccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)[nH]n2)c1 66079158 QHDATSVKOLPQLP-UHFFFAOYSA-N 375.476 3.454 0 1 GGAF COCCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3cncn3C)o2)C[C@@H]1C(C)C 2356840796 MURJAJFOLQWXFK-OKZBNKHCSA-N 387.528 3.103 0 1 GGAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCOc2c1cccc2N1CCOCC1 38268073 DRKFVZNNQBSDBF-KRWDZBQOSA-N 393.447 3.045 0 1 GGAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4OC)OCO5)OC[C@H]23)ccc1O 14641265 ZQLNHQLSVAXYHY-KODHJQJWSA-N 386.400 3.213 0 1 GGAF biogenic CC(=O)NCCn1c(CC(C)C)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188517 CZGFSVVEIWFQLA-MRXNPFEDSA-N 394.523 3.377 0 1 GGAF CCCCOCCCNC(=O)[C@H](C)NC(=O)c1coc(-c2ccc(C)cc2)n1 82070477 VTKYBJHPOHFBNH-INIZCTEOSA-N 387.480 3.091 0 1 GGAF C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NC2CCC2)C1=O 96273473 ZIEYJUHTAYIPSJ-WAIKUNEKSA-N 392.455 3.377 0 1 GGAF CCC(=O)N(CC(C)C)C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1 95895752 WJFNXVHTYUOYSG-RZUBCFFCSA-N 386.536 3.037 0 1 GGAF CS(=O)(=O)Nc1cccc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)c1 653754936 WPASQFDZSDKGLY-UHFFFAOYSA-N 396.447 3.498 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2cncn2)(C2(Cl)CC2)N1 587692039 JIQLQHCPMANOSC-QFYYESIMSA-N 399.695 3.381 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(F)cc(F)c3O)[nH]c2c1 587134365 PMCRPIGRIUQVTQ-UHFFFAOYSA-N 381.404 3.292 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)ccc12 587570914 MTBFUBQLUVFVQG-UWJYYQICSA-N 377.327 3.341 0 1 GGAF COc1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2n1 587002906 HWGGIOXBQZYOHJ-SECBINFHSA-N 388.221 3.364 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)O)n(C)c2)N1 587754030 XMUOSZICFIKFSS-VVVCHXIZSA-N 381.245 3.423 0 1 GGAF CCCc1c(O)ccc2c1O[C@](Cn1cccnc1=O)(c1ccccc1)CC2=O 587487805 OAVRFIWVMOVKJY-HSZRJFAPSA-N 390.439 3.462 0 1 GGAF CC(C)Oc1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 587134937 WYKWXYJFDCYCID-UHFFFAOYSA-N 399.394 3.246 0 1 GGAF CN(C)CCOc1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587154059 CDPUWMPWLJQQOS-NRFANRHFSA-N 382.439 3.434 0 1 GGAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc3c(C(=O)O)cnn3c1C)CC2=O 587485926 SDBHCUWPQQNGEA-NRFANRHFSA-N 395.415 3.275 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cc(I)c[nH]1)[C@@H](C2)C3=O 587430242 ZPGMJQYCJKYQPH-BONVTDFDSA-N 381.169 3.117 0 1 GGAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(O)cc2[nH]1 586946168 STSOQSLGZVYCKS-UHFFFAOYSA-N 375.431 3.069 0 1 GGAF CN1CCC[C@@H]1[C@@H]1CCCC[C@@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963226318 LJSWEPOHGSORIH-UOAUAQBLSA-N 379.504 3.313 0 1 GGAF O=C(Cc1ccc(Cl)c(Cl)c1)N1[C@H](CN2CCCC2)CCC[C@@H]1CO 13449305 ZRXDOSUZVWETAY-JKSUJKDBSA-N 385.335 3.374 0 1 GGAF CCOC(=O)c1cn2ncnc(Nc3cccc(C(=O)NOC)c3)c2c1C(C)C 13645249 LURXYGPJYWRADP-UHFFFAOYSA-N 397.435 3.064 0 1 GGAF O=C(O)[C@@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1ccc(Cl)cc1 13807318 OMOZKOPPDRRUQY-HOCLYGCPSA-N 390.871 3.138 0 1 GGAF COC[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O 13906333 LGTDPHWEMZETGW-MRXNPFEDSA-N 384.432 3.233 0 1 GGAF O=C1N[C@H](C(=O)O)Cc2ccc(cc2)OCC=CCOc2cccc(Cl)c21 1857626713 BAWJRRUGVCVUHL-INIZCTEOSA-N 387.819 3.093 0 1 GGAF C[C@]12CC[C@H](O)C[C@@H]1CC1(OCCO1)[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CCC21OCCO1 2356431866 HRIXNAXMXQKTSZ-FSEDFMJGSA-N 392.536 3.486 0 1 GGAF C[C@H](Oc1ccccc1Cl)C(=O)NN1C(=O)CS[C@@H]1c1ccccc1 1863271 UGFCCGKPYLFONG-KPZWWZAWSA-N 376.865 3.413 0 1 GGAF O=C(COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2)NCc1cccnc1 4787487 SRRUGHLMDRHIKD-UHFFFAOYSA-N 380.444 3.445 0 1 GGAF C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100309329 AGWNTSAXKRGTBH-ITDKPELASA-N 378.472 3.307 0 1 GGAF Cc1ccc2c(c1)[n+]([O-])c(C(=O)NCc1ccccc1)c(-c1ccccc1)[n+]2[O-] 101910159 VXWWOOAAVNWIAL-UHFFFAOYSA-N 385.423 3.012 0 1 GGAF COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1sc(N)nc1C3 103289981 LISKUWZQFNWZBE-LRXVAGHRSA-N 381.545 3.427 0 1 GGAF O=C1NC(=O)[C@H](Cc2ccc(OC[C@@H]3CCCN3c3ccccn3)cc2)S1 26573675 VQPXYUBGRJSSPJ-RDJZCZTQSA-N 383.473 3.024 0 1 GGAF CCOC(=O)c1csc(C(=O)CNC(=O)O[C@H](CC)Cc2ccccc2)n1 28354317 OXTGBICXGVNOSH-CQSZACIVSA-N 390.461 3.250 0 1 GGAF COc1ccc(OC)c(C2=NN(C(C)=O)[C@H](c3ccc(OC)c(OC)c3)C2)c1 28825563 OXBZPBVNKLOVSG-SFHVURJKSA-N 384.432 3.419 0 1 GGAF NC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccccc3)ncc2c1=O 29125554 JLTJDHQELMYFGK-UHFFFAOYSA-N 397.438 3.112 0 1 GGAF COc1ccc2c(c1)CC(=O)NN1C(c3ccccc3)=NO[C@]21c1ccccc1 29489980 UXZKAOHOTMBSHC-HSZRJFAPSA-N 385.423 3.178 0 1 GGAF CC[C@H](CC[C@@H](O)C[C@H](CCc1ccc(O)c(OC)c1)OC(C)=O)CNC 2356511148 ZKZBDQUWMKYYHZ-QRQLOZEOSA-N 381.513 3.042 0 1 GGAF CN1c2cccnc2CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1CO 2356741208 VKUFFSYXHOBOPV-OAHLLOKOSA-N 394.397 3.335 0 1 GGAF CC(C)OCCCNc1c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c2c1F 72126939 BOXIWXSFXQNALV-UHFFFAOYSA-N 395.406 3.122 0 1 GGAF Cc1c(C)n(C)c2c(Cn3c(=O)n(CCC(=O)O)c4ccccc43)cccc12 72176683 BPDSRNQUOWYMRI-UHFFFAOYSA-N 377.444 3.435 0 1 GGAF CO[C@@H]1c2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)OC(C)(C)[C@H]1O 13311961 QLZWONVOGYYLGJ-UXHICEINSA-N 384.384 3.091 0 1 GGAF biogenic COc1ccc(-c2c(O)n[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1OC 49115439 SZEIBVNRJGXRPN-UHFFFAOYSA-N 386.404 3.492 0 1 GGAF O=C(Nc1ccc([C@@H]2CCNC2)cc1)c1cn(-c2ccc(OC(F)F)cc2)nn1 146985218 ASSNHRVAIIIIMI-CQSZACIVSA-N 399.401 3.198 0 1 GGAF Cc1nn(-c2cc(F)c(C(N)=O)c(NCC3CC3)c2)c2c1C(=O)CC(C)(C)C2 621431274 XIQQQTXTBXRBKB-UHFFFAOYSA-N 384.455 3.396 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)Nc1ccccc1Br)C2 473154271 GAPNLEWLECCIDA-LBPRGKRZSA-N 390.233 3.460 0 1 GGAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2ncc(F)cc2[nH]1 587000740 UFHJXRCQTCJSGB-UHFFFAOYSA-N 376.141 3.339 0 1 GGAF CCOC(=O)CC[C@@]1(c2cccc(C=O)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439777 CZHHRXNVTJHEAI-JPYJTQIMSA-N 394.423 3.494 0 1 GGAF O=C(NCc1nc2c(F)cnc(Br)c2[nH]1)c1cc2c(s1)CCC2 587034755 LDFUECQIALVNSZ-UHFFFAOYSA-N 395.257 3.340 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(C)c2ccc(Br)cc21 587373919 VXEJMTMNGWFEFE-GOSISDBHSA-N 387.233 3.177 0 1 GGAF COC(=O)[C@@H]1SC[C@H](C)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587854583 CYXMURTYDDMSPE-AWEWYNMMSA-N 388.302 3.242 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3n2C=CCC3=O)N1 587771259 BTQHZXBHLCVOOM-XXFAHNHDSA-N 376.229 3.465 0 1 GGAF CC[C@]1(C(F)(F)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550663 VVKFEGFWOSWOQQ-KDOFPFPSSA-N 378.327 3.311 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccn(C)n2)N1 587764151 ONYKCJIXVDRXIW-XHQXLQHBSA-N 393.304 3.175 0 1 GGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3nnnn3C)cc1)CC2=O 587479812 UWXKQBOWKKBVIP-IBGZPJMESA-N 394.431 3.154 0 1 GGAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](CCCC2OCCO2)N1 962699314 IOEHIXIJMSWILP-UONOGXRCSA-N 377.334 3.028 0 1 GGAF CCCN(C[C@@H](O)Cn1c2cc(F)ccc2c2ccc(F)cc21)S(C)(=O)=O 149595884 VEBZYRVLVYZURX-OAHLLOKOSA-N 396.459 3.105 0 1 GGAF O=C(c1ccccc1)c1cccn1CC(=O)N1CCC(N2CCCCC2)CC1 5142725 YGFYQNHPLPZPQC-UHFFFAOYSA-N 379.504 3.196 0 1 GGAF NS(=O)(=O)c1ccc(Nc2cc(-c3ccc(Br)cc3)[nH]n2)cc1 13538168 OMCNPZUKTXGTFK-UHFFFAOYSA-N 393.266 3.230 0 1 GGAF CCOC(=O)c1ccccc1-c1nn(CCn2ccnc2)c(=O)c2ccccc12 13600501 JZJPSWCJSIMQBJ-UHFFFAOYSA-N 388.427 3.137 0 1 GGAF Cc1ccc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1CC(=O)N1CCOCC1 169304936 YXKKKXDMHWGXKH-CKUXNOBLSA-N 398.547 3.341 0 1 GGAF COc1ccccc1/C=C1\CNC[C@H]2C1=NC(=S)N[C@H]2c1ccccc1OC 169729966 YMGDXRMOOMCDAL-SQCZWCDGSA-N 393.512 3.377 0 1 GGAF CCOC(=O)c1csc(NC(=O)c2csc(NC(=O)OC(C)(C)C)n2)n1 166608853 AANUNIFOBKZAQZ-UHFFFAOYSA-N 398.466 3.376 0 1 GGAF CC(=O)N1CCc2c(c(-c3ccnc4ccccc34)nn2C2CCOCC2)C1 1857762970 BGBBSIXSMDQYCB-UHFFFAOYSA-N 376.460 3.354 0 1 GGAF COc1ccc([C@H]2C(=O)N(C3CCCCCC3)CC(=O)N2C2CC2)cc1OC 3039330 FQHJDMYNQOTZLC-NRFANRHFSA-N 386.492 3.301 0 1 GGAF COc1ccc(C(=O)N2C[C@H](F)[C@H](OCc3nc4ccc(C)cc4[nH]3)C2)cc1 2356305722 ABAXYSOZBFVUMC-QFBILLFUSA-N 383.423 3.259 0 1 GGAF CC(=O)O[C@H]1C[C@@H]2[C@@H](OC(C)=O)C3=C(C)[C@H](OC(C)=O)C[C@]3([C@@H]1C)C2(C)C 100783919 LCYMMMXHRHJXJB-IHEXNLAJSA-N 378.465 3.184 0 1 GGAF endogenous,in-man Cc1nccc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)n1 26832901 VHVNYPVBGUVDBF-UHFFFAOYSA-N 381.455 3.177 0 1 GGAF CCOC(=O)c1sc(-c2ccccc2)nc1OC[C@@H](O)CNC(C)(C)C 27747015 AALJLJNIALZGLA-AWEZNQCLSA-N 378.494 3.115 0 1 GGAF Cc1n[nH]c(-c2c(C)csc2NC(=O)CN2C(=O)CCc3ccccc32)n1 66077417 UNUTTXCETMYXRD-UHFFFAOYSA-N 381.461 3.068 0 1 GGAF Cn1nccc1C(=O)Nc1ccc(-c2ccccc2OC(F)(F)F)c(N)n1 113430235 RDOLGSKIVXYBET-UHFFFAOYSA-N 377.326 3.215 0 1 GGAF CCCCCCN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 2356507791 HHJJCXLDMWYKPN-MBDNFAEBSA-N 383.536 3.214 0 1 GGAF CO[C@@H]1c2c[nH]c3ccc(O)c(c23)C(c2c[nH]c3ccc(O)cc23)=N[C@@H]1C(=O)O 2356790173 FGGNCVCFOXYMKQ-VQTJNVASSA-N 391.383 3.052 0 1 GGAF CC(=O)O[C@@H]1C[C@H](C(C)C)[C@@H]2C[C@H](O)[C@H](C)[C@]3(O)CC(=O)C(C)=C3C[C@@]21C 15249010 FSHUIIVAVDOQGB-PGONABJMSA-N 378.509 3.028 0 1 GGAF biogenic COc1ccc(-n2c(=O)[nH]c3c(=O)oc4ccc(-c5ccncc5)cc4c32)cc1 210278756 PMJDRFHPASKBIA-UHFFFAOYSA-N 385.379 3.496 0 1 GGAF O=C(c1ccccc1)N1CCN(CCCOc2ccc3ncccc3c2)CC1 43013332 PNYMRTFSPSRHQP-UHFFFAOYSA-N 375.472 3.462 0 1 GGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CC(=O)N(C)C1 587859326 IEVIGPUILQEVSJ-SNVBAGLBSA-N 382.247 3.374 0 1 GGAF COC(=O)C[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586169 JAGPMPYUVDAGBZ-UGKGYDQZSA-N 391.379 3.207 0 1 GGAF COc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587400587 RKDGZIBAPCFMPT-NRFANRHFSA-N 385.416 3.320 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CN(C)CC[C@]2(C)O)N1 587763147 XCXDEMDIFBPCGI-QXNHNSEWSA-N 385.321 3.040 0 1 GGAF CCOc1cc(/C=C\c2nc3c(N)ncnc3[nH]2)cc(Br)c1OC 586978566 XBKTZJWOVMSRKL-PLNGDYQASA-N 390.241 3.275 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNC(=O)c1cccc(F)c1 587871013 XAVCUXIBHQRZIF-UHFFFAOYSA-N 385.370 3.297 0 1 GGAF CCS(=O)(=O)c1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587070002 OFFIXUOLDLPRDQ-ZDUSSCGKSA-N 377.897 3.295 0 1 GGAF COC(=O)c1scnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616319 BPMDLIIADIHMAE-SUMWQHHRSA-N 383.381 3.338 0 1 GGAF COc1cc([C@H]2NCCc3cccc(Cl)c32)cc(OC)c1OCC(=O)O 963381202 RIOHEULDLCNQRL-GOSISDBHSA-N 377.824 3.056 0 1 GGAF COC(=O)c1ccc([C@@]2(c3ccccc3)NCCc3c2c(C(C)C)nn3C)o1 962918115 MZJVROHLUHEAPV-JOCHJYFZSA-N 379.460 3.361 0 1 GGAF COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccsc2)CC1 13526351 APNJSCJYYJPREB-CMDGGOBGSA-N 399.560 3.489 0 1 GGAF Cc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2cccccc1-2 13826226 XXVPAZLWLUUUIV-UHFFFAOYSA-N 399.468 3.084 0 1 GGAF COc1ccc(CNc2nc(N[C@@H](CO)C(C)C)nc3c2ncn3C(C)C)cc1 13913058 DVQTWVBGJXZMTH-KRWDZBQOSA-N 398.511 3.457 0 1 GGAF COc1ccc2c(c1)nc(CCn1c(=O)n(C)c3cccnc31)n2-c1ccccc1 169349803 QMXCWRCTPGEKMX-UHFFFAOYSA-N 399.454 3.325 0 1 GGAF Cc1cc(O)nc(-n2ncc(C(=O)N(C)[C@H]3CCCc4ccccc43)c2C)n1 1857592344 UOQNQZBKWUOOGJ-SFHVURJKSA-N 377.448 3.134 0 1 GGAF Cn1cc(NC(=O)c2cn(Cc3ccc(F)cc3)c(=O)c3ccccc23)cn1 1857606310 OAIBAEMTXANYLY-UHFFFAOYSA-N 376.391 3.175 0 1 GGAF COc1ccc(CCN[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC 758670 PRRDPGBZTOYWSX-KRWDZBQOSA-N 384.476 3.237 0 1 GGAF Cn1c(CO[C@H]2CN(Cc3ccc(C(=O)O)cc3)C[C@@H]2F)nc2ccccc21 2356300017 SGABQIUQVZYBMT-LPHOPBHVSA-N 383.423 3.011 0 1 GGAF CCC[C@H](NS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)c1cccs1 6920312 NTUCDNWLZLXIGS-LBPRGKRZSA-N 395.531 3.380 0 3 GGAF Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nn1 52988023 UDSFREKDDUDKDN-UHFFFAOYSA-N 394.853 3.312 0 1 GGAF NC(=O)C1CCN([C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)CC1 21538417 YJMUBZSVJZEBJR-GOSISDBHSA-N 380.423 3.162 0 1 GGAF CC[C@@H]1Nc2ncnc(N3CCCCC3)c2N(Cc2ccc(OC)cc2)C1=O 61959770 FAUGIRFPJBRXLD-KRWDZBQOSA-N 381.480 3.213 0 3 GGAF CC(=O)c1ccc(C)cc1OC[C@@H](O)CN1CCN(c2ccccc2C)CC1 28636178 WRLCVPSRZYMWMM-FQEVSTJZSA-N 382.504 3.068 0 1 GGAF CC(C)N1CCC[C@H](O)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)C1 2356809181 AOCMCLMWRVBFEG-YADHBBJMSA-N 382.504 3.229 0 1 GGAF Nc1cnc(-c2ccc(-c3ccccc3NS(=O)(=O)C3CC3)cc2F)cn1 212112453 MUMFUOMNASQKOM-UHFFFAOYSA-N 384.436 3.436 0 1 GGAF COC[C@]12C[C@@H](CC1=O)[C@@H]1[C@@H]2ON2c3ccccc3C(=O)[C@@]12c1ccccc1 195476960 FLDNSLQVGNOXOV-CDIHVREYSA-N 375.424 3.140 0 1 GGAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccc(F)cc1)[C@H](N)CC2 142789620 BZRWQTBKAWCEII-LEWJYISDSA-N 390.524 3.255 0 1 GGAF Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)N(C)C2=O)cn1 95565549 OSHALKHQKCBIDH-INIZCTEOSA-N 393.274 3.254 0 1 GGAF CC[C@H](C)N(C(=O)CN1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21)[C@H](C)CC 263590365 VFOSSRYLAFVDMP-QKLQHJQFSA-N 399.535 3.454 0 3 GGAF Oc1nc(O)c2cc3c(nc2n1)C=C1CC[C@@H]2C(=C1C3)CC[C@H]1[C@@H](O)CC[C@@H]21 587561350 PWLCXFLYEUUCSH-AEVLCDIHSA-N 377.444 3.263 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H]1[C@H]3C[C@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@H]3[C@H]12 587818386 RDBXCEGEOKWHMZ-NSJYFGMNSA-N 388.280 3.275 0 1 GGAF O=S(=O)(c1ncccc1-c1nc2ncc(C(F)(F)F)cc2[nH]1)C(F)(F)F 587127214 OUBOAHHSWKXWDO-UHFFFAOYSA-N 396.272 3.332 0 1 GGAF CCC(CC)NC(=O)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657870 CJNAPECSIIEYGV-UHFFFAOYSA-N 381.407 3.148 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCO)(c2ccc(O)cc2)N1 587824922 DNDQJADISVYNJD-BBATYDOGSA-N 380.257 3.454 0 1 GGAF Cc1nc2[nH]c(CNC(=O)[C@H](C)Oc3ccccc3)nc2cc1Br 587225310 PMXGVRDOEXTYOE-NSHDSACASA-N 389.253 3.113 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCN(C)CC4)cc1)[C@@H](C2)C3=O 587445351 VNSUZUPRMUUDIY-WMZHIEFXSA-N 378.472 3.110 0 1 GGAF COCCc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587772232 DZYJOHKLGYMSJC-BTDLBPIBSA-N 380.261 3.191 0 1 GGAF CCCNC(=O)c1cccc(Nc2nn(CC3CC3)c3c2CN(C(C)=O)CC3)c1 1772637709 ZDLOIRATYRBXGM-UHFFFAOYSA-N 395.507 3.081 0 1 GGAF O=C1c2ccccc2CCCN1CCN1CCC(n2nnc3ccccc32)CC1 13488313 NFXKJHPEAASJRA-UHFFFAOYSA-N 389.503 3.157 0 1 GGAF CS(=O)(=O)Nc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1 13560454 WAUCNDQNILDAKL-UHFFFAOYSA-N 398.532 3.389 0 1 GGAF CN1[C@H]2CC[C@@H]1CC(NC(=O)c1cc(=O)n(-c3ccccc3)c3ccccc13)C2 13731412 LGKSUDPSBCMQRR-JLYLLQBASA-N 387.483 3.346 0 1 GGAF CC(=O)Oc1cccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)c1 13832028 QMOLRVNGBQRHMV-UHFFFAOYSA-N 392.455 3.196 0 1 GGAF CN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NCc3ccccc3)cc21 169309881 OQLVYFJDRMBDEM-MUUNZHRXSA-N 390.464 3.373 0 1 GGAF CN1C(=O)[C@@H]([C@@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)c2ccccc21 169490095 BGIKYDQVZJXXMV-XUZZJYLKSA-N 384.435 3.181 0 3 GGAF Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC(O)CC1 205266327 IXDIFIPKASFTPV-UHFFFAOYSA-N 386.459 3.351 0 1 GGAF O=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1cccc(Cl)c1 1857758455 ZQXHQNMVUKVOKI-UHFFFAOYSA-N 394.924 3.162 0 1 GGAF COc1cc(F)c(Nc2nccc(-c3ccc(F)cc3OC)n2)cc1C(N)=O 1857762867 WNQPHLAUPBBBFU-UHFFFAOYSA-N 386.358 3.282 0 1 GGAF COc1cc(-c2oc3c([N+](=O)[O-])cc(C)cc3c(=O)c2O)cc(OC)c1OC 35967710 OXIGJTOKOJBZRI-UHFFFAOYSA-N 387.344 3.408 0 1 GGAF CN(C)CCN1C(=O)CN=C(c2ccccc2)c2cc(C(F)(F)F)ccc21 2039070 KWWRVBXFTUSDNT-UHFFFAOYSA-N 375.394 3.451 0 1 GGAF O=C(O)C[C@@H]1CCN(C(=O)c2cccc(F)c2)C[C@H]1Cc1nc2ccccc2[nH]1 2356302768 YEIKQLICDCFEAN-GOEBONIOSA-N 395.434 3.498 0 1 GGAF CCO/C(O)=C1\C(C)=NC(=S)N(C(C)=O)[C@H]1c1ccc(OC)c(OC)c1 101718114 UDSJQNKIATZWQG-UYTDBDHRSA-N 378.450 3.159 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CO[C@H](CC)[C@H](OC(C)=O)[C@]2(C)CC[C@@](O)(C(C)C)[C@@H]12 2356441123 GERFPXQSALCMIE-OBEDZEBVSA-N 396.524 3.408 0 1 GGAF CC=C(C)C(=O)O[C@@H]1c2cc3ccc(=O)oc3cc2O[C@H]1C(C)(C)OC(C)=O 2356575347 JSIFZCDOTCKEGQ-RTBURBONSA-N 386.400 3.446 0 1 GGAF O=c1c2ccccc2c(Cc2nnc(C3CC3)o2)nn1Cc1ccc(Cl)nc1 64436323 KBELMATZRYHHIY-UHFFFAOYSA-N 393.834 3.344 0 1 GGAF CC(C)C[C@@H]1C(=O)N(NC(=O)NCCc2ccccc2)CN1Cc1ccccc1 64574070 BHHIIKHSBAMBRQ-OAQYLSRUSA-N 394.519 3.160 0 1 GGAF CCCNC(=O)[C@]1(C)CCN(CCC(=O)c2ccc(Br)cc2)C1 61908456 QBXOGKDTUBRTFX-GOSISDBHSA-N 381.314 3.260 0 3 GGAF C[C@@H]1CCCN1CCCCCNS(=O)(=O)c1cccc(Br)c1 71317594 QWFHKPZFMSWJED-CQSZACIVSA-N 389.359 3.382 0 1 GGAF O=C(O)c1cn(Cc2ccc(-c3ccc(F)nc3)cc2)c2c(c1=O)[C@@H](O)CCC2 49111021 UENBBHVUHMYMKM-SFHVURJKSA-N 394.402 3.166 0 1 GGAF CCOc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NC)C3CCCCC3)o2)nc1 45291063 RDLXLGNXNXMEPV-IBGZPJMESA-N 385.464 3.165 0 1 GGAF CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1OC(C)C)Cc1cc2ccccc2nc1-3 84689615 OGYGJAXEBHSMAW-GOTSBHOMSA-N 392.455 3.304 0 1 GGAF CNc1nc(OCc2ccccc2/C(=C\OC)C(=O)OC)cc(C(F)(F)F)n1 96923384 AHNARVBAGOMRIJ-JLHYYAGUSA-N 397.353 3.276 0 1 GGAF O=C(Nc1cnn(-c2ccccn2)c1)c1nc(C2CC2)ccc1Nc1cncnc1 96167433 MHKSLGAXBAGRDE-UHFFFAOYSA-N 398.430 3.326 0 1 GGAF CN(C)CCN(C)c1cc(-c2cn[nH]c2)ccc1NC(=O)NCc1ccccc1 140153963 UBZZFFAVFOEUFI-UHFFFAOYSA-N 392.507 3.396 0 1 GGAF CCCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1 95893664 AQFYNPWOHOJEDY-SBHAEUEKSA-N 379.460 3.194 0 1 GGAF COc1cc(CC(=O)O)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587398644 GITOYHIYGFXYDH-OAQYLSRUSA-N 385.416 3.102 0 1 GGAF COC1=C[C@]2(C[C@H](C(=O)O)C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587806979 BUFLUOKXARMWNN-BHOZQUNFSA-N 384.245 3.343 0 1 GGAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 586945864 MZNYINMEEQNBDK-UHFFFAOYSA-N 389.355 3.079 0 1 GGAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587151143 GTNHIZNVLOCOIH-RYUDHWBXSA-N 377.416 3.363 0 1 GGAF COc1cc(OC)nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587771828 DJCJTXRFILOGIT-AYVTZFPOSA-N 382.233 3.019 0 1 GGAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2c(I)cnc(Cl)c2[nH]1 587963040 LGHSBXIWFCPMGR-RNFRBKRXSA-N 389.624 3.374 0 1 GGAF COC(=O)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587377537 JRUNLMIGWIFOHF-FQEVSTJZSA-N 387.819 3.224 0 1 GGAF Cc1sc(Br)nc1[C@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963525280 LYJGCRXWRRYMDP-MGPLVRAMSA-N 397.294 3.090 0 1 GGAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21C(=O)Nc2c1ccc(Cl)c2F 963634095 JCKUJHPFMQUOBI-UGZDLDLSSA-N 376.815 3.226 0 1 GGAF Cn1c([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)nc2ccc(Cl)cc21 963224454 CJFAEPFUHTZTIH-MJGOQNOKSA-N 392.846 3.463 0 1 GGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@]2(C[C@H](C3CC3)N(Cc3ccccc3)C2)N1 962916348 CZDJXJQSWIFMQB-MZKRTTBSSA-N 380.463 3.304 0 1 GGAF CCOCCCNC(=O)CCN1C(=O)c2ccccc2Sc2ncccc21 12473535 JWPKKSPQPLZVDV-UHFFFAOYSA-N 385.489 3.126 0 3 GGAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](C(=O)NC[C@H]1CCCO1)[C@@H]2O 13681749 ACLJBHUSJJAZGD-KCBWDBOVSA-N 399.531 3.131 0 1 GGAF Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccncc3N(C)C2=O)c1 13732978 PGXLLGYCZGYICG-OAQYLSRUSA-N 399.454 3.352 0 1 GGAF C[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1NC(=O)c1cccc(N(C)C)c1 205709152 KUBBHVBWHHNRNN-YPHICONVSA-N 383.536 3.442 0 3 GGAF C[C@H](NC(=O)C1CCOCC1)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1 1857646397 OJEMULVTABPFFN-RVHYNSKXSA-N 393.487 3.428 0 1 GGAF CNC(=O)c1cc(Oc2ccc(NC(=O)c3cccc(N)c3)cc2)ccc1N 210728977 XYHRQBMNCBKBPI-UHFFFAOYSA-N 376.416 3.255 0 1 GGAF Cc1nc(N(C)CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)sc1C 3788950 KEGZKIQBLMXPSE-HNNXBMFYSA-N 391.518 3.169 0 1 GGAF COc1cccc(CNC(=O)CSc2n[nH]c3c4cc(C)ccc4nc-3n2)c1 101791194 VDPNAUZSKAHXTJ-UHFFFAOYSA-N 393.472 3.183 0 1 GGAF Cc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2N)cc1 66104017 JSAOIYNBSQMJDT-OAQYLSRUSA-N 389.455 3.263 0 1 GGAF CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc[nH]c3c2)c1F 84672035 HCHKYWNVGLKUIJ-UHFFFAOYSA-N 394.403 3.245 0 1 GGAF Cn1c(CN(CCCCN)[C@H]2CCCc3cccnc32)nnc1-c1ccccc1 145782160 IQXADRSWBMCYJU-FQEVSTJZSA-N 390.535 3.496 0 1 GGAF COc1cc(OC)cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)c1 141927396 ITGAKDGKAJKWGO-UKRRQHHQSA-N 393.443 3.217 0 1 GGAF C[C@@H](CC(=O)O)NC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O 146724514 CTADYWAQKGRMMW-LBPRGKRZSA-N 391.383 3.197 0 1 GGAF OC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(CC3CC3)CCCCN12 95875270 LPVOCHZCCVGHEL-HJOGWXRNSA-N 377.532 3.383 0 1 GGAF Cc1csc([C@](C)(O)c2nnc(NC(=O)Cc3c(F)cccc3F)s2)n1 95921164 LBTQISHPRWJOLN-INIZCTEOSA-N 396.444 3.018 0 1 GGAF in-vitro COc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cn1 96168825 IAPURLMIVSNISA-UHFFFAOYSA-N 385.427 3.363 0 1 GGAF CC(C)C[C@H]1CN2C(=CC3=NC[C@H](C(C)C)N3C[C@@H]2Cc2ccc(O)cc2)N1 473109471 RZVSTKSHOZDNJW-IRFCIJBXSA-N 382.552 3.217 0 1 GGAF COc1ccccc1NC(=O)NC(=O)CSc1nc2ccccc2nc1C 653825363 ADAKDWDKIKCEJN-UHFFFAOYSA-N 382.445 3.387 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C1CC1)C(F)(F)C(=O)O 587545177 GUQRKZBGXCALKS-KDOFPFPSSA-N 376.311 3.223 0 1 GGAF NC(=O)c1ccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2c1 587258236 BRNWMKPGHWPTDB-KRWDZBQOSA-N 387.443 3.234 0 1 GGAF O=C(Cc1ccccc1)NCCc1nc2cc(Br)c(F)cc2[nH]1 587228103 FWNPZQYCVLNPTB-UHFFFAOYSA-N 376.229 3.366 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)ccc12 587570911 MTBFUBQLUVFVQG-UTKZUKDTSA-N 377.327 3.341 0 1 GGAF CCCn1c(O)nc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1=O 587863103 CNMYOSAUGGBLKW-UHFFFAOYSA-N 394.353 3.239 0 1 GGAF COc1ccc([C@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587805026 CUEKHAFRTLFLDN-YPMLDQLKSA-N 394.240 3.459 0 1 GGAF Cc1nn([C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1Br 587651122 LDSCOWKGSZVGKH-SECBINFHSA-N 395.644 3.219 0 1 GGAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(S)nc(S)nc3[nH]2)cs1 587020820 YOMRDNPZBUUUGU-UHFFFAOYSA-N 396.523 3.325 0 1 GGAF O=C(CSCC(=O)n1ncc2ccc(Cl)cc2c1=O)Nc1ccccc1 587654828 NRIRPTDNOPHWLE-UHFFFAOYSA-N 387.848 3.062 0 1 GGAF CC1CCC(NC(=O)[C@H]2c3cccn3CC(=O)N2CCc2ccccc2)CC1 5065377 ORZRYYCRONSXIC-RKOYOZNISA-N 379.504 3.309 0 1 GGAF COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCc1ccccn1)C(C)(C)C)CC2 13588140 SWNBSXQBPQACGE-OAQYLSRUSA-N 397.519 3.188 0 1 GGAF COc1ccc(Nc2ncc3c(n2)CCN(Cc2cccn2C)C3)c(OC)c1 15778967 MHPZXTRZKSHZQB-UHFFFAOYSA-N 379.464 3.134 0 1 GGAF CCOc1cc([C@@H]2NC(=O)N=C(C)[C@@H]2C(=O)OCc2ccccc2)ccc1O 169687860 RUMGUDLNKZKREJ-OALUTQOASA-N 382.416 3.376 0 1 GGAF Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3ncnc(Cl)c3Cl)ccc21 1857558278 QOZPEXQOKQBJOI-UHFFFAOYSA-N 396.278 3.341 0 1 GGAF C[C@@H](CCO)N(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 28129038 BLWJSOSTWMPKFJ-ZDUSSCGKSA-N 391.899 3.093 0 1 GGAF Cc1c(/C=C/CN2CCN(c3cccc(Cl)c3)CC2)cnn1-c1ncccn1 53099065 JOKNCGRDYUIPJC-HWKANZROSA-N 394.910 3.460 0 1 GGAF CN(C)CCCOc1ccc(Oc2ncnc3ccccc23)c(C(=O)N(C)C)c1 28703620 SKXQMSLNZMPLOL-UHFFFAOYSA-N 394.475 3.454 0 1 GGAF OC[C@@H]1O[C@H](n2cnc3c(NC4CCCCCCC4)cc(Cl)nc32)C[C@@H]1O 27325842 FQYKSUYXQAKFFJ-ZOBUZTSGSA-N 394.903 3.250 0 1 GGAF CSc1nn(-c2ccccc2)c2nc(CCNc3ccccc3)[nH]c(=O)c12 64447454 PMAJYAROJFFNOS-UHFFFAOYSA-N 377.473 3.485 0 1 GGAF COc1ccc(CN2CC[C@H](CC(=O)O)[C@H](Cc3nc4cnccc4[nH]3)C2)cc1 2356315410 XGCTUJOTOBVSKI-IAGOWNOFSA-N 394.475 3.122 0 1 GGAF CO[C@@H](CO)[C@H](c1[nH]c2ccccc2c1CC(=O)O)c1c[nH]c2ccccc12 2356718154 MQRYPXXPMWCWNO-PZJWPPBQSA-N 378.428 3.416 0 1 GGAF Cc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1C(=O)c1ccccc1 31759256 FRNDWGBVYLJORG-UHFFFAOYSA-N 396.878 3.292 0 1 GGAF COCCN1CCN(c2nccc(NCc3cccc4ccccc34)n2)CC1 72123234 DZIRKEXGKAKOQQ-UHFFFAOYSA-N 377.492 3.010 0 1 GGAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1CC(F)(F)C1 222371746 KBQOSTHTFJGZBY-UHFFFAOYSA-N 383.402 3.429 0 1 GGAF O=C(O)CCC/C=C\C[C@@H]1[C@H](/C=C/[C@@H](O)C2CCCCC2)[C@@H]2O[C@@H]1[C@@H]1O[C@@H]21 195042745 BLPTUHHFIMEDBU-BWCKQMHSSA-N 376.493 3.466 0 1 GGAF COc1cc(-c2cnc3c(N4CCOCC4)snc3c2)cc(OC)c1OC 222110445 JONPTLGCLPUHKH-UHFFFAOYSA-N 387.461 3.221 0 1 GGAF CCN(C)CCC(=O)c1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40846610 ZQTCXVJEBYTDAF-QFIPXVFZSA-N 397.471 3.415 0 1 GGAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NCc1ccc2c(c1)OCO2 82204069 FRBFXURUOHTJAF-UHFFFAOYSA-N 395.507 3.190 0 1 GGAF O=C(Nc1ccc([C@H]2CCNC2)cc1)c1cn(-c2ccc(OC(F)F)cc2)nn1 146985399 ASSNHRVAIIIIMI-AWEZNQCLSA-N 399.401 3.198 0 1 GGAF CCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3cccc(Cl)c3)C[C@@H]21 95893927 QPNBZJWQHUKIQO-NLWGTHIKSA-N 399.878 3.457 0 1 GGAF CCC[C@@H](C)COc1ccc([C@H](CO)NC(=O)[C@H](CO)c2ccccc2)cc1 146668620 VSLVWNLPPYDMFC-YHYVQYDKSA-N 385.504 3.427 0 1 GGAF Cc1nc(N2C[C@H](C)O[C@@H](C)C2)sc1C(=O)Nc1ccc2c(c1)OCO2 230563257 RANZUPJSBUXAJG-QWRGUYRKSA-N 375.450 3.046 0 1 GGAF O=C(O)CCc1ccc(Nc2ncc(Cl)c(NC[C@@H]3CCCO3)n2)cc1 299851461 GQOLVMNZWFORAW-AWEZNQCLSA-N 376.844 3.482 0 1 GGAF Cc1cccc2c(CN3CC[C@@H](NS(C)(=O)=O)C3)c(-c3ccccc3)[nH]c12 299825652 ZOFYQYKKFDTZEW-QGZVFWFLSA-N 383.517 3.267 0 1 GGAF Nc1ccnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 586966108 FPNCVMIMRZFPNW-UHFFFAOYSA-N 377.477 3.350 0 1 GGAF Oc1nc(NCc2ccccc2)c2nc([C@H](O)c3ccccc3Cl)nc-2[nH]1 587059330 OMJKPVPIRKTXOK-OAHLLOKOSA-N 381.823 3.357 0 1 GGAF Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc2nncn12 587774917 OHCSOQJTLSEAKI-HUTHGQBESA-N 390.260 3.132 0 1 GGAF COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(Br)c1 962900233 IFUGPKITELVDQX-HOCLYGCPSA-N 380.213 3.285 0 1 GGAF COc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cc1F 1772636676 RKAHZMDQIBZXPH-UHFFFAOYSA-N 380.427 3.133 0 1 GGAF Cn1cc(CN2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)cn1 12301831 UJCFIOHQQACQSZ-INIZCTEOSA-N 386.927 3.134 0 1 GGAF CC(C)CCn1cc2c(nc(NC(=O)NC(C)C)n3nc(-c4ccco4)nc23)n1 13672052 AUGKGFDXRDMRCM-UHFFFAOYSA-N 396.455 3.310 0 1 GGAF O=C(NC1CCN(Cc2cccnc2)CC1)[C@@](O)(c1ccccc1)C1CCCC1 13835822 SQSAXGWIZUBYJD-XMMPIXPASA-N 393.531 3.240 0 1 GGAF CC(=O)Nc1ncc(CN2CC[C@]3(CCN(c4ncc(C)cc4C)C3)C2)s1 1857560472 RROPSOUKMJSJQR-FQEVSTJZSA-N 385.537 3.216 0 1 GGAF CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 587533 WQYFCZSJEWGCBA-UHFFFAOYSA-N 381.455 3.485 0 1 GGAF O=c1c(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cccn1O 29128961 RRZNITDSNPAPBH-UHFFFAOYSA-N 376.821 3.207 0 1 GGAF COc1ccc(OC)c(CNC(=O)c2nn(C)c3c2CCc2sccc2-3)c1 9687587 SQWBNXGWXUAJLT-UHFFFAOYSA-N 383.473 3.194 0 1 GGAF CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)ccc(Cl)c2c1OC(C)=O 103178125 LXASXPVFJXDMNC-UHFFFAOYSA-N 394.763 3.194 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)c4cnc5[nH]ccc5c4)ccc31)[C@H]1CC[C@H](C2)N1 100632846 WWFDFCIJUZBZKD-CXAGYDPISA-N 392.484 3.237 0 1 GGAF COc1ccc([C@](C)(O)c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1 61903551 YQFZOTMBEXODNY-IBGZPJMESA-N 389.498 3.478 0 3 GGAF CC(=O)O[C@@H]1C[C@](C)(O)C=CC[C@H](C)CC(=O)CC2=C[C@@H](OC2=O)[C@H]1C(C)C 2356509545 TUNXVTXNCGWNAQ-NBQBPRERSA-N 392.492 3.129 0 1 GGAF Cc1cccc2cc([C@H](C)Nc3cc(N)nc(N)n3)n(-c3ccccc3)c(=O)c12 88345819 YUSGUEIYZQKLLY-AWEZNQCLSA-N 386.459 3.427 0 1 GGAF Cc1cc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc2cc1O 84652938 ZGIZCVACDOOTHQ-UHFFFAOYSA-N 390.447 3.274 0 1 GGAF COc1ccc(CCN(C)c2ccc3[nH]c(=O)c(CC(C)C)nc3n2)cc1OC 82231707 MJKTXFKTXPIXRW-UHFFFAOYSA-N 396.491 3.213 0 1 GGAF CCc1nn(-c2ccccc2)c2nc(N3CCN(c4cccnc4)CC3)ncc12 147360220 ZUZXRZKGSBMXQH-UHFFFAOYSA-N 385.475 3.100 0 1 GGAF Fc1cc(O[C@H]2CCNCC2(F)F)c2nc(-c3nnc4ccccn34)ccc2c1 96175078 INYRWBVCPQQSGE-INIZCTEOSA-N 399.376 3.460 0 1 GGAF Cc1cccnc1-c1cc(N2CCC(CS(C)(=O)=O)CC2)ncc1Cl 146921963 RSLWOZPBZRENDK-UHFFFAOYSA-N 379.913 3.366 0 1 GGAF NC(=O)O[C@H](CCN1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 95580086 LJPZAYYXKCOXPS-LJQANCHMSA-N 375.419 3.314 0 1 GGAF COC[C@@H]1[C@@H]2CC[C@H]1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2 253632906 JATQVZAOCJUHTI-HGKCTWBKSA-N 377.916 3.186 0 1 GGAF COC(=O)c1ccc(C[C@]2(C(=O)OC)CC(=O)O[C@]2(C)c2ccccc2)cc1 299824869 DWWKXCZMKXNHTN-FGZHOGPDSA-N 382.412 3.037 0 1 GGAF O=C(c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O)N1CCCCC1 653667974 TZKXWAODTKIRQH-UHFFFAOYSA-N 380.444 3.317 0 1 GGAF COc1cc(Cl)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC(=O)O 587375880 AIKKPRMTUVOXNL-OAHLLOKOSA-N 391.807 3.409 0 1 GGAF CS(=O)(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2c(C(=O)O)cccc12 587637339 GXTVOWKAODLEEV-UHFFFAOYSA-N 384.335 3.350 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1 586898408 KQQITAUEDCITDK-UHFFFAOYSA-N 385.489 3.427 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CS(=O)(=O)c3ccccc32)N1 587846607 UYVVDBOFZZGUKK-QGHHPUGFSA-N 396.281 3.153 0 1 GGAF CCOC(=O)[C@@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587767 HPVGKVBNCUOHLJ-UTKZUKDTSA-N 379.368 3.141 0 1 GGAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cncnc3[nH]2)c1 587048138 FOXYRHCPMBSXDP-UHFFFAOYSA-N 386.843 3.316 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)c4cnn(C)c4)cc1)[C@@H](C2)C3=O 587432107 NBIPDFQDHVXEMB-LAUBAEHRSA-N 390.395 3.137 0 1 GGAF CCOC(=O)C[C@]1([C@@H]2CCOC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616676 LTXCBJGSIUDOND-YFYZNPQRSA-N 398.411 3.082 0 1 GGAF COc1cc2c(cc1OC)C1(CN(C(=O)OCc3ccccc3)C1)N(C)[C@@H](C)C2 962569992 MUVKDCJKOKSRIG-INIZCTEOSA-N 396.487 3.428 0 1 GGAF O=C(NCc1ccc(F)cc1)[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772580836 KPIPAJVRASJYAL-SHTZXODSSA-N 392.438 3.335 0 1 GGAF CCc1ccoc1C(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1 1772590480 KLIOVRSSNDXXPC-UHFFFAOYSA-N 378.432 3.337 0 1 GGAF CC(C)[C@@H](CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1 13819473 TUSYHQBFGFIWOG-MRXNPFEDSA-N 384.484 3.154 0 1 GGAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1ccccc1-n1ccnc1 169714440 LJWDTXDPMYOFDR-QUCCMNQESA-N 395.459 3.447 0 1 GGAF Cc1ccccc1C1=NN(C(=O)COc2ccccc2)[C@@](O)(C(F)(F)F)C1 1857752722 CIQJRAHTVYAIBG-SFHVURJKSA-N 378.350 3.261 0 1 GGAF CN(C)Cc1c2c(nc3cc4c(cc13)OCCO4)-c1cc3ccccc3c(=O)n1C2 58563973 VQFWBEJJCXPJSZ-UHFFFAOYSA-N 399.450 3.411 0 1 GGAF Cc1c(NC(=O)CN(C)C)ccc2nc(N[C@H](C)c3ccccc3)oc(=O)c12 26188442 BZJQWZIPYSIFCK-CQSZACIVSA-N 380.448 3.170 0 1 GGAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@@]43C)[C@H]1CCC2=O 26186264 HMABERXDSMXWFO-GLDUVZCJSA-N 390.549 3.217 0 1 GGAF CN(C)C(=O)CN1CCC[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1 73222334 XRZMHKTZJWSXPQ-SFHVURJKSA-N 394.494 3.491 0 1 GGAF CC(=O)N1CCN(c2ccnc(Nc3ncc(-c4ccc(C)nc4)s3)c2)CC1 34836653 PRKPSHPNLXHMEE-UHFFFAOYSA-N 394.504 3.321 0 1 GGAF CC(C)CCC[C@@H](C)NC(=O)C1=NO[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C1 35942990 GIVCTRMYQCEGCH-MWLCHTKSSA-N 392.340 3.318 0 1 GGAF COc1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 45372718 FQODPQFAJWPCDY-MSOLQXFVSA-N 378.394 3.333 0 1 GGAF CCCO[C@@H]1OCc2c(cc3n(c2=O)Cc2cc4ccccc4nc2-3)[C@@]1(O)CC 84730878 TYPYKTCDJAWKRM-PKTZIBPZSA-N 392.455 3.306 0 1 GGAF Cc1ccc(N2CCC(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)cc1C 40846817 DCCIGIWSKGVZNW-UHFFFAOYSA-N 379.460 3.489 0 1 GGAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1cccc(F)c1)[C@H](N)CC2 88260832 NHRJHZAPGPUPHB-LEWJYISDSA-N 390.524 3.255 0 1 GGAF C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OCC)C[C@]23O[C@H]2CC[C@@H](C)[C@]13C 238774388 DMGXAFCAJJJRDI-LPSWJAGGSA-N 390.476 3.448 0 1 GGAF O=C(Cc1ccccc1)NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1 95667345 PDOMCKCENVFAAO-CQOQZXRMSA-N 376.500 3.029 0 1 GGAF CC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H]2CO 95873938 ZFJSDRDQKLPFMQ-SGNDLWITSA-N 378.516 3.433 0 1 GGAF COc1cccc(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)c1C 95566114 KVQVJLHPYRPZDY-UHFFFAOYSA-N 376.815 3.172 0 1 GGAF CN1CC=CCOC[C@H]2CCCN(C2)c2ccnc(n2)Nc2cccc(c2)C1 299815491 LNYUDKNXQXNIDZ-IBGZPJMESA-N 379.508 3.455 0 1 GGAF O=C(N[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccccc1 299871013 XMUYPKWEVDERJK-WOJBJXKFSA-N 376.387 3.418 0 1 GGAF O=C(O)CCC/C=C/C[C@H]1[C@H]2CC[C@@H](O2)[C@H]1CNC(=O)NCc1ccccc1 299804783 WKHILVPAOTUCOV-HDDSPCROSA-N 386.492 3.481 0 1 GGAF CCOC(=O)[C@@H]1CSC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587859644 YAGSDLYNQJTJTD-RVIYUIFMSA-N 388.302 3.244 0 1 GGAF COc1cc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2cc1C 587203744 SQYRIASMPCXLAU-MRXNPFEDSA-N 383.404 3.322 0 1 GGAF Oc1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 587118490 NVAJVAFFSMSLPL-UHFFFAOYSA-N 375.148 3.489 0 1 GGAF COC(=O)[C@@H]1[C@H](C)CC(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587804743 FJZDCNASUKQZKJ-KWPVARAFSA-N 398.272 3.106 0 1 GGAF COCCCn1nccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578606 ATWAWTOSKUZKQN-GHTZIAJQSA-N 380.400 3.328 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N(C[C@@H]3CCCO3)C(=O)C1)CC2=O 587474656 GZLFWGYABZBYTF-NYHFZMIOSA-N 385.460 3.364 0 1 GGAF Nc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1N 587003444 KRRGEPZLPPPILO-MRVPVSSYSA-N 387.237 3.125 0 1 GGAF O=C(O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587607329 HYMWFSBSHBKPIK-YLJYHZDGSA-N 378.336 3.499 0 1 GGAF COC(=O)c1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2cn1 587201911 YUPCBRXCNXVWNG-UHFFFAOYSA-N 376.457 3.325 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn3c(=O)ccnc23)N1 587790575 IOGFIEXLNBQWGE-QGHHPUGFSA-N 388.240 3.220 0 1 GGAF COc1cc(Br)c([C@H](N)c2nc3ccc(C)nc3[nH]2)cc1OC 586975336 NAXJHSAQCAIDEM-AWEZNQCLSA-N 377.242 3.094 0 1 GGAF NC1CC(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C1 587255566 QMWRZKLPVBKMDA-UHFFFAOYSA-N 390.896 3.297 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(O)cc2C(=O)c2ccc(O)cc21 587404155 OJPSNVFUTIFJNW-HSZRJFAPSA-N 387.391 3.442 0 1 GGAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@H](COCc2ccccc2)N1 962635906 KTSPKUSUONAMLY-GJZGRUSLSA-N 381.350 3.442 0 1 GGAF Oc1ccccc1-c1nnc(SCCN2CCOCC2)n1Cc1ccccc1 13123834 XMGFUWKAUUNDER-UHFFFAOYSA-N 396.516 3.123 0 1 GGAF COc1ccc(CC(=O)Nc2ccc3cnn(CCN4CCCC4)c3c2)cc1 13685190 NTSIHCXEXUYLRB-UHFFFAOYSA-N 378.476 3.322 0 1 GGAF CNCCc1cc(Br)c(OCCCN(C)C)c(Br)c1 14594686 PUVVRIHOYZBUTM-UHFFFAOYSA-N 394.151 3.304 0 1 GGAF biogenic Cc1nn(C(=O)c2ccccc2O)c2c1[C@@H](c1ccccc1O)SC(N)=N2 17222175 UNSFDNVPARPKIO-MRXNPFEDSA-N 380.429 3.074 0 1 GGAF NC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 169330867 SRANJUFKIHUEBG-IBGZPJMESA-N 397.475 3.356 0 1 GGAF COc1cc(C)c2c(c1C)Oc1c(c(C)c(OC)c3c1[C@H](O)OC3=O)OC2=O 200522608 IOZPJAPGESJGLC-HXUWFJFHSA-N 386.356 3.115 0 1 GGAF O=c1[nH]n2c(=O)cc(-c3ccc4[nH]ncc4c3)[nH]c2c1-c1ccc(Cl)cc1 208557539 SWAPQDHZDCCHRR-UHFFFAOYSA-N 377.791 3.180 0 1 GGAF O=C(O)COc1ccc(OCc2cn(-c3cccc(Cl)c3)nn2)cc1F 1857576187 VWYYAZSKGWPHNW-UHFFFAOYSA-N 377.759 3.102 0 1 GGAF COC(=O)C1=C[C@@H]2O[C@@]2(C(C)C)CCC(C(=O)OC)=CCC[C@@H]2O[C@H]2CC1 253668177 WEANQMQJACYEMJ-RYLXDESZSA-N 378.465 3.100 0 1 GGAF CCOC(=O)C1=C(OCC)C(=O)O[C@@H]1C1=C(Cl)c2cc(C)ccc2OC1 1911575374 ZIAVTCJLECSWKG-MRXNPFEDSA-N 378.808 3.116 0 1 GGAF O=S(=O)(c1ccccc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2)cc1 100101851 VFQNTJVAAYJDBX-NUNAXRQHSA-N 390.508 3.482 0 1 GGAF O=C(CCN1CCN2Cc3[nH]c4ccccc4c3C[C@@H]2C1)Nc1ccccc1F 26749109 XXJOSNQFMYZPDB-MRXNPFEDSA-N 392.478 3.378 0 1 GGAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc(OC)c1O 2356402981 WQXZSCSXVJCPOG-FWSJURHISA-N 386.400 3.213 0 1 GGAF CN1CCN([C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)CC1 22859375 WECUVWLQFPUOCY-PRLAPGDWSA-N 386.580 3.105 0 1 GGAF Fc1ccc2nc(NCCCCN3CCOCC3)nc(NCc3ccco3)c2c1 66077122 QIELQRUUILUOTQ-UHFFFAOYSA-N 399.470 3.498 0 1 GGAF COc1cc2c(cc1OC)[C@@H](CN1CCN(c3ccc(F)cc3)CC1)OCC2 27901560 BKBHRVQPBIWBMN-JOCHJYFZSA-N 386.467 3.279 0 1 GGAF CN(C)S(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2)c1 27429632 SLBUMGMMMQSHRP-UHFFFAOYSA-N 388.276 3.464 0 1 GGAF CC(=O)NS(=O)(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 35079703 RJSJDTJXRUIZTR-SLHNCBLASA-N 393.505 3.014 0 1 GGAF COc1ccc2[nH]cc(CCNC(=O)CC(=O)CCc3ccc(O)cc3)c2c1 214086949 BPMOENJVOOOATO-UHFFFAOYSA-N 380.444 3.133 0 1 GGAF in-vitro CCCCn1nnnc1[C@H](C1CC1)N1CCC(n2c(O)nc3ccccc32)CC1 72138423 MDDRGCTYGONAGB-IBGZPJMESA-N 395.511 3.317 0 3 GGAF CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@@H](C(C)C)N2 82206622 BSCFSBZEVGYMBI-KRWDZBQOSA-N 388.487 3.106 0 1 GGAF C[C@@]1(C(=O)NC2CCCC2)CCC(=O)N1C1CCN(Cc2ccccc2)CC1 95566269 JVROMIATNOLDKJ-QHCPKHFHSA-N 383.536 3.091 0 3 GGAF COc1ccc(O)cc1CN1CCN(c2ncc(Cc3ccccc3)cn2)CC1 95571155 QGEFFWUYCQWZRE-UHFFFAOYSA-N 390.487 3.104 0 3 GGAF C[C@]12C[C@H](C[C@@H]3C(=O)O[C@H](c4ccoc4)[C@@H](OC(=O)c4ccccc4)[C@H]31)OC2=O 140785515 JLFUOYRQSZADHD-HRVVITOKSA-N 396.395 3.061 0 1 GGAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c(N)ccnc3[nH]2)cc1 586949813 BDUSFXMRDYXYIF-UHFFFAOYSA-N 379.445 3.316 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3c(c2)OCCO3)N1 587780268 ZPUQXNVJIVNRMV-FVMDXXJSSA-N 379.229 3.378 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596349 NXFMUTIMJOHNQJ-AVRDEDQJSA-N 396.395 3.025 0 1 GGAF COC(=O)[C@@H]1[C@H](C)CC(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587804745 FJZDCNASUKQZKJ-NNUNUHMHSA-N 398.272 3.106 0 1 GGAF CS(=O)(=O)c1ccc(-c2cnn(CC3CC3)c(=O)c2-c2ccccc2)cc1 12352424 JLROYHWJEFEGOR-UHFFFAOYSA-N 380.469 3.391 0 1 GGAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1CC 13559119 VNRABGXFPXVNIF-HNNXBMFYSA-N 394.516 3.376 0 1 GGAF NCCCNc1cccc(-c2cc(N[C@H]3CC[C@H](O)CC3)ncc2Cl)n1 169703719 DYUCGAGOCTWSRU-OKILXGFUSA-N 375.904 3.273 0 1 GGAF O=C(Nc1ccc(C(=O)N2C[C@@H]3CCO[C@H]3C2)cc1)N1Cc2ccccc2C1 166791917 MLYZHMWGAPIEOP-ICSRJNTNSA-N 377.444 3.095 0 1 GGAF Cc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2N2CCOCC2)cc1 201538716 NZLZRQPXYVVKAA-UHFFFAOYSA-N 386.448 3.352 0 1 GGAF c1ccc2nc(-c3nc4ccccc4[nH]3)c(NCCCN3CCOCC3)nc2c1 1857551984 HXADURHGZUCXNL-UHFFFAOYSA-N 388.475 3.307 0 1 GGAF O=C(COc1ccc(-c2nc(=O)c3ccccc3[nH]2)cc1)NCCc1ccccc1 1857616196 SFHXCSOJLPINDX-UHFFFAOYSA-N 399.450 3.328 0 1 GGAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)cc1 4049013 BITGMUPIVJGTLF-BUKVSMQUSA-N 395.503 3.243 0 1 GGAF CCOC(=O)C1=C(OCC)C(=O)O[C@H]1C1=C(Cl)c2c(ccc(C)c2C)OC1 1911578294 MIGYQKYCJGMYMN-KRWDZBQOSA-N 392.835 3.425 0 1 GGAF COc1cccc(OC(=O)NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 28461703 NBYGSIBLKKOEBW-UHFFFAOYSA-N 384.432 3.177 0 1 GGAF COc1ccccc1[C@@H]1CCCN(c2cc(-c3ccncn3)cc(=O)n2C)C1 66066321 SYOKYNYBZSTAIK-MRXNPFEDSA-N 376.460 3.235 0 1 GGAF CCC(C)(C)[C@H](O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1ccccc1 26970624 OTRNZHCNNPSPJM-RBUKOAKNSA-N 375.509 3.341 0 1 GGAF c1ccc(CO[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5cccs5)n4)CO[C@H]23)cc1 5434189 AZKIQFCMNYTTMH-ONCXSQPRSA-N 395.484 3.369 0 1 GGAF biogenic Cc1cc(Nc2nc(NCCCc3c[nH]nc3C)ncc2Br)n[nH]1 84731549 IBHYYPHHAZTAFQ-UHFFFAOYSA-N 391.277 3.090 0 1 GGAF COc1cnc2c(Nc3ccc(F)c([C@]4(C)N=C(N)O[C@@H]5C[C@@H]54)c3)nccc2c1 226072052 AHSUGOLUVUBUCR-XPIZARPCSA-N 393.422 3.470 0 1 GGAF CCCc1ccc(OCC(=O)N(Cc2nc(-c3cnccn3)no2)C(C)C)cc1 95603977 JDDZZPUKEJBWDS-UHFFFAOYSA-N 395.463 3.295 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2=CC=CN3C=CN[C@@H]23)N1 587792607 PLKMEQSMTJYBNI-HWOJHCLVSA-N 376.273 3.494 0 1 GGAF N=c1[nH]c2c(s1)C[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587618699 PZFNLAQGDGUOIQ-JXFKEZNVSA-N 380.425 3.151 0 1 GGAF Cc1cc(=NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]o1 587740634 DRLOZRZXQRWXNQ-HUTHGQBESA-N 396.260 3.085 0 1 GGAF CC1=C(c2ccc3nc(-c4csc([C@H]5CCCO5)n4)[nH]c3c2)NNC(=O)C1 587016399 LADIXJIYBSDVKL-OAHLLOKOSA-N 381.461 3.293 0 1 GGAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc(N(C)C)n1 587754534 KLACRFNUYKUZDY-ABKXIKBNSA-N 379.277 3.376 0 1 GGAF N[C@@]1(c2nc3cc(I)cnc3[nH]2)C[C@H]1c1ccccc1F 587158415 XCAFEXDDRYITAG-BONVTDFDSA-N 394.191 3.043 0 1 GGAF COC(=O)c1cc2[nH]c(-c3nc(Cl)cnc3Br)nc2cc1OC 587005859 WSGVLCRMDABISP-UHFFFAOYSA-N 397.616 3.231 0 1 GGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(F)cc2[nH]1 587121007 NIUOHDQCCUYFLW-UHFFFAOYSA-N 379.317 3.126 0 1 GGAF C[C@@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)N1CCCC1 587656719 LDDXCEWFABNLSG-ZDUSSCGKSA-N 383.398 3.466 0 1 GGAF Cc1c(F)ccc2c1[C@](CNC(=O)OC(C)(C)C)(Cc1ccnnc1)NCC2 962089056 FRPMBLVMMJEUSB-OAQYLSRUSA-N 386.471 3.033 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccc(C3OCCO3)s1)(C1CC1)NCC2 962933236 SZDGMIJJYKQBIM-JOCHJYFZSA-N 398.528 3.295 0 1 GGAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1cccs1 169351538 MMZREDUOHGGEFD-AQMYHGFQSA-N 376.474 3.332 0 1 GGAF COc1ccccc1/C=C1\CNC[C@H]2C1=NC(=O)N[C@@H]2c1ccccc1OC 169730012 KVPXGHJEZWPAPE-DQKPQGHDSA-N 377.444 3.212 0 1 GGAF CC(C)C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](COC(C)(C)C)C(=O)N21 1656500 NFTGGKHBTWDPAV-FHWLQOOXSA-N 397.519 3.322 0 1 GGAF O=C(O)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 3815064 SRQBKAXEENMWFO-UHFFFAOYSA-N 388.225 3.418 0 1 GGAF CC(C)Cn1cc(C(=O)NC[C@@H]2CCCO2)c2c3ccccc3n(C)c2c1=O 4057594 VIHNWMZSOCQWNX-HNNXBMFYSA-N 381.476 3.058 0 3 GGAF O=C1c2ccccc2C(=O)N1c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 28523541 VVHSXBBCHBGZKG-UHFFFAOYSA-N 381.391 3.315 0 1 GGAF COc1cc([C@@H]2c3cc4c(cc3C=C3C(=O)OC[C@H]32)OCO4)cc(OC)c1OC 28712884 KVOBAARTZGOHQB-FOIQADDNSA-N 396.395 3.143 0 1 GGAF CCOc1ccc(-c2nn3ncccc3c2-c2ccc(S(N)(=O)=O)cc2)cc1 28387365 JWSYDZNIYSFRNJ-UHFFFAOYSA-N 394.456 3.109 0 1 GGAF NCc1ccc(-c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)cn1 28569671 XTYLBWGLTSGVFN-UHFFFAOYSA-N 382.420 3.312 0 1 GGAF Cc1cc(O)c2c(c1)C(=O)C[C@H](c1c(C)cc3c(c1O)C(=O)CC[C@@H]3O)[C@@H]2O 14616412 XXBQCKGZTFHKKF-YPENRWOSSA-N 382.412 3.128 0 1 GGAF biogenic Cc1nc(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2C)c(CO)[nH]1 219000660 ZVWVRQDLMRJJCK-UHFFFAOYSA-N 386.455 3.297 0 1 GGAF Cc1ccc(N2CCC[C@H](CO)C2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C 216499331 FRRVNUMGKQGXOM-INIZCTEOSA-N 397.475 3.166 0 1 GGAF Cc1cccc(NCC(=O)N2CCCN(Cc3nc4ccccc4[nH]3)CC2)c1 49089083 NWRFVXGSMAPBPT-UHFFFAOYSA-N 377.492 3.018 0 1 GGAF O=C(Cc1cn(CNc2ccnc3cc(Cl)ccc23)nn1)NC1CCCC1 96934967 QCPFFCYIHRMQFI-UHFFFAOYSA-N 384.871 3.151 0 1 GGAF COc1cc2c3c(c1)O[C@@](CO)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587420576 XYHLQNXFNXOPLP-KSSFIOAISA-N 375.218 3.093 0 1 GGAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 586940788 GCNYVRZOKLITSP-YFHOEESVSA-N 399.472 3.123 0 1 GGAF COCCN1C(=O)CC[C@H](c2nc3c(N)ccnc3[nH]2)[C@H]1c1ccccc1Cl 587062031 AJISHMNMRKNKJA-SCLBCKFNSA-N 399.882 3.287 0 1 GGAF COc1ccccc1-c1cc(O)n(-c2cnc(C)c(Br)n2)c1O 587940003 GXNHHYIGYXZKOA-UHFFFAOYSA-N 376.210 3.425 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2NC(=O)c3ccccc3N2)N1 587795258 NZIABNRLYHPSSY-TVNTUTRRSA-N 390.256 3.345 0 1 GGAF CCOC(=O)CCOCCCOCCc1nc2ccc(C(C)(C)C)nc2[nH]1 587566922 BZNGHQJEIDLXIK-UHFFFAOYSA-N 377.485 3.174 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccnc(Cl)n4)nc1C)[C@@H](C2)C3=O 587418486 BMRWVASKYPUVRL-KPZWWZAWSA-N 382.807 3.121 0 1 GGAF COc1cc(N)c([C@]2(C)NCCc3cc4cccc(OC)c4nc32)c(OC)c1 963058351 OCIBONYUYBTGND-QFIPXVFZSA-N 379.460 3.252 0 1 GGAF COc1cc2c(cc1OC)[C@@H](c1ncc(Br)cn1)N(C)[C@@H](C)C2 962628443 MHZKBIDTFKLRBJ-QFYYESIMSA-N 378.270 3.222 0 1 GGAF CS(=NC#N)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 1772635708 POICVPWOGNWWIM-UHFFFAOYSA-N 376.445 3.250 0 1 GGAF O=C1CC[C@H](C(=O)N2CCSCC2)CN1Cc1cccc(C(F)(F)F)c1 12386759 VMVUBYWMBZOVNJ-AWEZNQCLSA-N 386.439 3.019 0 3 GGAF CN(C(=O)CCCOc1ccc2nc3[nH]c(=O)n(C)c3cc2c1)C1CCCCC1 13725620 ICAYDZWGWKWMMB-UHFFFAOYSA-N 396.491 3.365 0 1 GGAF CC(C)N(C)[C@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 165636193 CYGPYQOZKURPPY-CALCHBBNSA-N 399.457 3.203 0 1 GGAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4207614 CENCNOATCHYJEM-VUHPKUFZSA-N 388.851 3.445 0 1 GGAF O=C(Nc1ccccc1Cl)NC1(C(=O)NC[C@@H]2CCCO2)CCCCC1 4982042 RBGDSOAQMMEQQE-AWEZNQCLSA-N 379.888 3.460 0 3 GGAF CC(=O)O[C@H](CCN1CCN(c2ccccc2)CC1)C(=O)c1ccc(F)cc1 53243555 VFRYLCSHCSOMFC-OAQYLSRUSA-N 384.451 3.152 0 1 GGAF COc1ccc(NC(=O)c2ccccn2)c(CN2C(=O)c3ccccc3C2=O)c1 28948839 KBUYPHYBNUWEIJ-UHFFFAOYSA-N 387.395 3.139 0 1 GGAF COc1ccc(-n2c(SCC(=O)O)nc3sc(C)c(C)c3c2=O)cc1 28949156 JMBLSFBYWACLID-UHFFFAOYSA-N 376.459 3.249 0 1 GGAF COc1cc([C@@H]2Oc3ccc4ccc(=O)oc4c3O[C@@H]2OC)cc(OC)c1O 2356588725 DXBMMMITVSFLLA-ICSRJNTNSA-N 386.356 3.001 0 1 GGAF Cc1ccc(C)c(C(=O)N2CC[C@]3(CCCN(Cc4cccnc4)C3=O)C2)c1 39358315 DVEQTOXIQYDLOF-HSZRJFAPSA-N 377.488 3.353 0 1 GGAF C=CS(=O)(=O)N(Cc1ccccc1Br)[C@H](CO)CC(C)C 36382933 SZJOFQGHFACGCU-AWEZNQCLSA-N 376.316 3.131 0 3 GGAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccnc(-n2cccn2)c1 215901426 DKOWJSXOHAAFJN-RDJZCZTQSA-N 392.459 3.394 0 1 GGAF C[C@@H](C(=O)NCc1ccc(C2CC2)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 73220478 AKXKHUJXVDJZEQ-CYBMUJFWSA-N 390.480 3.495 0 1 GGAF COC(=O)Cc1cc2c(cc1[C@@H]1[C@@H](C)c3ccc4c(c3CN1C)OCO4)OCO2 13408563 QTJGELCKRFLMOF-QKVFXAPYSA-N 397.427 3.150 0 1 GGAF biogenic COCCNc1ncc(C(=O)NCc2ccccc2)c(-c2ccc(F)cc2)n1 82141213 ZLXOPSQNKWLPSO-UHFFFAOYSA-N 380.423 3.271 0 1 GGAF Cc1cnc(N[C@@H]2C[C@@H]2C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1 87612991 OFKFAUPZGSFVEC-BOFPYLFWSA-N 391.475 3.064 0 1 GGAF O=C1S/C(=C\c2cccc3ccccc23)C(O)(O)N1CC(=O)C(F)(F)F 49583065 FPZXYLPCFNXTHN-ZSOIEALJSA-N 383.347 3.119 0 1 GGAF O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccnc2)c1=O 25427510 AGGNINUZLMCVOY-APWZRJJASA-N 377.488 3.436 0 1 GGAF biogenic CC(C)(C)OC(=O)C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O 95575952 BJRLEQBLNKLHFN-ZGCXVMDJSA-N 387.476 3.475 0 1 GGAF N=c1nc(O)c2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2[nH]1 587159903 XYCHLQDYIJYZDD-AWEZNQCLSA-N 385.786 3.432 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1cc(F)ccc12 587735283 SYSNNYCKBMIGLC-LZVRBXCZSA-N 393.231 3.482 0 1 GGAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)C(C)(C)C 587202976 CXFACUNTRGQNJS-HNNXBMFYSA-N 385.472 3.021 0 1 GGAF Brc1c[nH]c2nc(-c3ccc4[nH]nc(Br)c4c3)nc-2n1 587007811 RZLZFXDPBFGMRH-UHFFFAOYSA-N 394.030 3.373 0 1 GGAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3cc(Cl)c(OC)cn3)nc2c1 587064494 BXAQZRWQIZEONN-UHFFFAOYSA-N 394.884 3.365 0 1 GGAF COc1c2c(c(CC=C(C)C)c(OC(C)=O)c1C(C)=O)O[C@@H](C(C)(C)O)C2 1772601392 IQYVWZHTWWFVDA-MRXNPFEDSA-N 376.449 3.406 0 1 GGAF Nc1ccccc1NC(=O)c1ccc(NC(=O)NCc2ccc(F)nc2)cc1 1772631682 DMGSFVJRMYAQPJ-UHFFFAOYSA-N 379.395 3.377 0 1 GGAF Cn1nc(-c2cccc(N3CCC[C@H](N)C3)n2)c2cc(-c3cccnc3)ncc21 1772616883 OEZSDKKFOOLHKE-INIZCTEOSA-N 385.475 3.020 0 1 GGAF Cn1ccc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cnc3C(=O)O)cccc21 1772646452 RGLOJSWQWWYRGN-DZGCQCFKSA-N 380.452 3.092 0 1 GGAF CCOC(=O)C[C@H]1c2cc(F)ccc2S(=O)(=O)N1Cc1ccc(OC)cc1 12478411 RNICLVIPKOAETI-KRWDZBQOSA-N 393.436 3.033 0 3 GGAF CC(C)=CCC/C(C)=C/CCN(C)CCO[P@@](=O)(O)OP(=O)(O)O 13473664 UJQJOPPVQKRHHI-NTEUORMPSA-N 385.334 3.227 0 1 GGAF CC(C)N1C(=O)[C@]2(N=C1N)c1ccccc1CC21CCC(OC(F)F)CC1 201251440 OZUSWNVOAJNFPL-OJISFJIHSA-N 377.435 3.172 0 1 GGAF CC(C)[C@H](CO)NCc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1F 204416699 DJYOGORXDRRROK-IBGZPJMESA-N 395.519 3.442 0 1 GGAF CCCC(=O)N1CC[C@@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 205474460 FJPHWIDQZXHYGB-MYRUOYEDSA-N 398.547 3.482 0 1 GGAF N[C@@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cncs5)cc34)n2)C1 205254466 XXUBBHDSOYKPNK-GFCCVEGCSA-N 377.477 3.071 0 1 GGAF CC1CCC(NC(=O)C[C@@H](C(=O)N2CCc3ccccc32)n2ccnc2)CC1 3046786 JXPABSOSKMHEIF-NLPFYKDJSA-N 380.492 3.099 0 1 GGAF O=C(O)CCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 3815049 ZKLMDMQVDFQTDL-UHFFFAOYSA-N 388.225 3.418 0 1 GGAF COc1c2ccoc2c(CN2CCOCC2)c2oc(-c3cccnc3)cc(=O)c12 28712673 QVOOVCHJWKWZLS-UHFFFAOYSA-N 392.411 3.442 0 1 GGAF Cc1noc(NS(=O)(=O)c2ccc(Br)cc2)c1Br 26486509 QGJVRRXWJMLVMT-UHFFFAOYSA-N 396.060 3.309 0 1 GGAF CC=C1CN2[C@H]3C[C@H]1[C@](COC(C)=O)(C(=O)OC)[C@H]2Cc1c3[nH]c2ccccc12 2356459867 BTWSGPSNLRSENY-JWRIFHQMSA-N 394.471 3.138 0 1 GGAF CN(C)C(=O)c1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 28884298 YXZMOBOEBXLVAF-UHFFFAOYSA-N 388.423 3.086 0 1 GGAF CC(C)(C)[C@](CCc1ccc(Cl)cc1)(Cn1cncn1)OP(=O)(O)O 2356843492 NMJXDYGJGLTLDI-INIZCTEOSA-N 387.804 3.459 0 1 GGAF CN(C)[C@@H]1CC(C)(C)[C@@H]2C[C@](C)(O)CC[C@]21CCC(=O)NCc1cccnc1 2356864364 VTYIXLGAAUFMKH-TWRVUUBYSA-N 387.568 3.376 0 1 GGAF c1ccc(COc2nc(-c3ccc4cc[nH]c4c3)cc(N3CCOCC3)n2)nc1 60325361 SPTSPOJMMWVTNG-UHFFFAOYSA-N 387.443 3.436 0 1 GGAF COCc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)nc(N)n1 212145289 IYIKMQJDDYBVKZ-UHFFFAOYSA-N 396.426 3.443 0 1 GGAF Cc1c(OCC(=O)N[C@H](CC(C)C)C(=O)O)ccc2c1oc(=O)c1ccccc12 15955983 SDZFNCRVZPDAQZ-QGZVFWFLSA-N 397.427 3.249 0 1 GGAF biogenic Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2)nc1 199946605 VGXRXUDIUUZHIM-ZDUSSCGKSA-N 385.493 3.406 0 1 GGAF CC(C)Oc1cc2c(-c3cc(N4CCN(C)[C@@H](C)C4)ncn3)n[nH]c2cc1F 221317673 WUDJYJSQNZGFJX-ZDUSSCGKSA-N 384.459 3.087 0 1 GGAF COc1cc(CNc2ncnc3c2ncn3[C@@H]2CCCCO2)cc(OC)c1OC 40915725 XONLPTAWYDGGJH-INIZCTEOSA-N 399.451 3.163 0 1 GGAF O=C1CCCN1CCCn1c(C2CC2)nc2c(NCc3ccccc3)ncnc21 82178710 UPMSPLUKEAZQFR-UHFFFAOYSA-N 390.491 3.328 0 1 GGAF Cn1cc(-c2ccc3[nH]nc(-c4cc(N5CCOC(C)(C)C5)ncn4)c3c2)cn1 225564631 ORXODPSMRDZMMG-UHFFFAOYSA-N 389.463 3.036 0 1 GGAF Cc1ccccc1CS(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C 198926503 PSYNXTJTKDUEFG-UHFFFAOYSA-N 387.486 3.381 0 1 GGAF C=CS(=O)(=O)Nc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1 198938375 XWEWXOXVGICYJP-UHFFFAOYSA-N 386.433 3.276 0 1 GGAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@]2(O)CCC[C@H](C)[C@@]12C 95909480 AHVYGDRGQJFXOT-ULVBQACKSA-N 378.465 3.042 0 1 GGAF biogenic,in-vitro CC(=O)OC[C@@]1(O)OC[C@]23CC[C@@H]4[C@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@H]2CC[C@@H]13 253634750 NMXQNNZLXKLLEI-NEOIFOSFSA-N 390.520 3.188 0 1 GGAF Cc1cc(C(=O)N[C@@H]2CCN(C(C)C)C2)ccc1OC1CCN(C(C)C)CC1 653779438 CSIKNYUBUIUCGQ-HXUWFJFHSA-N 387.568 3.459 0 1 GGAF CCN(CC)CCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587397883 CGWDQMLBLUNWJO-QHCPKHFHSA-N 393.487 3.126 0 1 GGAF COc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)ccc1OC(F)F 587652204 YECFOQKGKWFZDN-UHFFFAOYSA-N 380.734 3.348 0 1 GGAF COc1ccc2c(c1)CCC=C2Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587934654 LWWXQVDCXBJKJF-UHFFFAOYSA-N 397.500 3.394 0 1 GGAF Cc1cccc(N2C[C@@H](C(=O)n3ncc4ccc(Cl)cc4c3=O)CC2=O)c1 587655139 SOVLYEZPGNYDTD-AWEZNQCLSA-N 381.819 3.052 0 1 GGAF CCOC(=O)C[C@]1(COc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439725 MSQNYETZRNSKFN-VGOFRKELSA-N 382.412 3.214 0 1 GGAF COc1ccc2c(c1)CC[C@@](N)(c1nc3[nH]c(Cl)nc(C(F)(F)F)c-3n1)C2 587245932 BBVKPNQFSNPINK-INIZCTEOSA-N 397.788 3.328 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(N)c(N)cc3[nH]2)cc1 587040772 BNVUCCQXQMAPED-QGZVFWFLSA-N 383.477 3.014 0 1 GGAF CN1CCc2c(Br)cccc2[C@@]1(C(=O)O)c1cnn(C(C)(C)C)c1 963278836 CMLQURQNZVXTGK-GOSISDBHSA-N 392.297 3.217 0 1 GGAF Cc1ccc(-n2nccn2)c(C(=O)N[C@H]2CCC[C@@H]2Nc2ccc(Cl)cn2)c1 1772657279 MUEYQYQKFWJILD-IRXDYDNUSA-N 396.882 3.387 0 1 GGAF CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2cccnc2)C1 11661202 QSUCTGRTKQDPGI-JOCHJYFZSA-N 382.460 3.118 0 1 GGAF O=C(NCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)/C=C/c1ccccc1 13441903 LDLXZRFUPMBAFD-VISDOYDDSA-N 384.501 3.158 0 1 GGAF C[C@@H]1CCCC(=O)CCC/C=C/c2cc(OS(=O)(=O)O)cc(O)c2C(=O)O1 14887344 GQAJNGUAQKYPCH-QDBLGGKGSA-N 398.433 3.056 0 1 GGAF endogenous,in-man O=C(Nc1ccc(OCc2cc(O)n3ncnc3n2)cc1)c1ccc(Cl)cc1 15785792 KFIORZLOCYJYKP-UHFFFAOYSA-N 395.806 3.315 0 1 GGAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)c(F)c1 1857545134 CVJIYUZYANCKIV-FQEVSTJZSA-N 395.434 3.439 0 1 GGAF CCCCOc1ccc(=Nc2nc([C@@H](N)COCc3ccccc3)cs2)[nH]n1 1857549724 LVDWNGQMGCVQNE-INIZCTEOSA-N 399.520 3.494 0 1 GGAF Cc1c(-c2ccc(N3CCNCC3)cc2)cncc1-c1ccc2c(c1)CNC2=O 1857613016 ZCLWKSOLVKDHKE-UHFFFAOYSA-N 384.483 3.377 0 1 GGAF CCCCSCCCNC(=O)CN1CCN(Cc2ccc(C)cc2)C1=O 4668171 YSGGYFGWSVRIIE-UHFFFAOYSA-N 377.554 3.272 0 1 GGAF CCCCC[C@H](O)/C=C/[C@]1(F)[C@@H](C/C=C\CCCC(=O)OC)[C@@H](O)C[C@H]1O 26015571 SAPVVWIRDUFLIQ-PVAVYCGXSA-N 386.504 3.223 0 1 GGAF CCOC(=O)C1=C[C@@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccc(Cl)cc2)=N1 27979290 GMYYGNRUQILTIY-GOEBONIOSA-N 394.814 3.296 0 1 GGAF O=C(NCCCCN1C[C@@H]2CC[C@@H]1C2)c1ccc([123I])cc1 101434442 FLTWPLPSPPBJFQ-JQTXOVSCSA-N 394.290 3.286 0 1 GGAF Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(-c2cc(Cl)ccc2C)n1 68206359 OHASWADNHFSPSO-UHFFFAOYSA-N 381.827 3.020 0 1 GGAF COCCNC(=O)[C@@]1(C)CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 61903865 RLNFFEOIQRAPOG-FQEVSTJZSA-N 392.927 3.153 0 3 GGAF Nc1c(C(=O)c2ccc(C(F)(F)F)cc2)sc2[nH]c(=O)c(C(=O)O)cc12 28902845 BJFPAOBRDCLORN-UHFFFAOYSA-N 382.319 3.120 0 1 GGAF COc1cc(/C=C2\CCCn3c2nc2cccc(OC)c2c3=O)cc(OC)c1O 28568318 DHNLMBGFBLFYTP-GXDHUFHOSA-N 394.427 3.462 0 1 GGAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@]4(CC2)CN(CCc2ccccc2)CC[C@]314 29315065 WLSQQOZOVMNIED-OXCBMLQPSA-N 389.495 3.203 0 1 GGAF CCN(CC)C(=O)Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1 34660905 JNWQLOFSMUGRNY-UHFFFAOYSA-N 395.912 3.255 0 1 GGAF in-vivo C[C@H]1CC[C@@H]2[C@]3(C)CO[C@@H](C)O[C@H]3CC[C@@]2(C)[C@@]12CC[C@@](CO)(CCO)O2 504679278 QZOBEYQBKBPACE-MKFHSIFCSA-N 382.541 3.263 0 1 GGAF biogenic C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1 82132539 HHTRJDWWRCFYSQ-LPHOPBHVSA-N 380.492 3.289 0 1 GGAF CC[C@@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82207700 QMXYXIKBOFPKJM-GOSISDBHSA-N 390.487 3.238 0 1 GGAF CC(C)n1nc(-c2cnc3c(c2)CCCN3)cc1C1CCN(C2COC2)CC1 146468899 RQMOTUMYMOJVNN-UHFFFAOYSA-N 381.524 3.462 0 1 GGAF CC(=O)N(C(C)=O)c1nc(-c2nnc(S)n2-c2ccc(Cl)cc2)cs1 96282322 ZGZXYLMBZYLZOY-UHFFFAOYSA-N 393.881 3.232 0 1 GGAF CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1CCNC(=O)CN(C)C 72126155 PYIOPAPWQWWKQU-OAQYLSRUSA-N 384.911 3.473 0 1 GGAF biogenic Cc1cc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)no1 587657340 YOONNRUZIVXSCT-UHFFFAOYSA-N 397.337 3.357 0 1 GGAF CN1CCN(c2ccc3nc(-c4ncoc4CCC(F)(F)F)[nH]c3c2)CC1 587092483 PVLMGKLKYHYCFM-UHFFFAOYSA-N 379.386 3.465 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1c[nH]ccc1=NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433608 SLYFITGRJANGOG-ORAYPTAESA-N 382.416 3.348 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1ccc(C)n1 587867890 DQDYQSCEEIBRJB-NSHDSACASA-N 379.342 3.379 0 1 GGAF COc1cc(OC)nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587774633 NBQAXFDSEAPMHT-ANRSDYALSA-N 382.233 3.019 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515534 PKAMFHPMHYNHTE-HSZRJFAPSA-N 393.439 3.343 0 1 GGAF CCS(=O)(=O)c1ccccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586921570 DHCQSIXTYUISCT-UHFFFAOYSA-N 390.774 3.437 0 1 GGAF COc1cccc(-c2cc(O)n(-c3c[nH]cc(Br)c3=O)c2O)c1 587939990 GOSNNFOAEPYTRY-UHFFFAOYSA-N 377.194 3.015 0 1 GGAF COc1cc2c3c(c1)O[C@](C)([C@H]1[C@@H]4C[C@H]1N(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587440643 BPFZTEXVWLDABA-JVUNFYKHSA-N 385.460 3.457 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)([C@H]1CN(Cc4ccccc4)CCO1)[C@@H](C2)C3=O 587437864 LTHUNJAAZMTLRX-JXHRLWIKSA-N 379.456 3.102 0 1 GGAF FC(F)(Br)CN[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772655782 GWATZLTXUAFPCW-MGCOHNPYSA-N 399.243 3.209 0 1 GGAF COc1cccc(CN2C[C@H](C(=O)NCCc3ccc(C)s3)CCC2=O)c1 12764111 DKVDHAUBSIFQNJ-QGZVFWFLSA-N 386.517 3.163 0 3 GGAF Cc1ccc(N2CCN(C(=O)Cc3c(C)n4c5c(cccc35)CCC4)CC2)nc1 13740407 KBMFDIHQYKDAQO-UHFFFAOYSA-N 388.515 3.491 0 1 GGAF CCN(C[C@H]1CCCO1)C(=O)c1cc(COc2cccc3cnccc23)on1 14972748 ZYLISRDDOZGIEA-MRXNPFEDSA-N 381.432 3.443 0 1 GGAF COCCOCO[C@@H]1/C=C/COC(=O)/C=C\[C@@H](OC)[C@@H]2CCC(C)=C1C2(C)C 169337142 KVCWSBGNYBVWSY-LPVRITJISA-N 394.508 3.429 0 1 GGAF Cc1ccc(CN2CCCC[C@H](NC(=O)c3ccc(N(C)C)cc3)C2=O)cc1 200053091 UYBBIRAPFVGXHP-NRFANRHFSA-N 379.504 3.372 0 3 GGAF COc1cc([C@@]2(O)CSC(=S)N2Cc2ccccc2)cc(OC)c1OC 1857572236 CBCRBOWAROZUSP-IBGZPJMESA-N 391.514 3.391 0 1 GGAF COc1cccc2c1O[C@@H](C(=O)N1CCC(Cn3ccnc3C(C)C)CC1)C2 1857597352 RQGZPOYCJUXATQ-LJQANCHMSA-N 383.492 3.257 0 1 GGAF CCO[C@@H]1O[C@@H]([C@@H]2c3cc4c(cc3CCN2C)OCO4)c2ccc3c(c21)OCO3 1857613539 MIZCEHHTZQAOQV-TUNNFDKTSA-N 397.427 3.480 0 1 GGAF CCOC(=O)c1nc2ccccc2nc1Nc1cccc(N2CCOCC2)c1 1857631679 ZSUYLXHGWWLRID-UHFFFAOYSA-N 378.432 3.387 0 1 GGAF Cc1c(N2CC[C@]3(CCC[C@H]3N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520898 ZBNSKAZSACITID-VGOFRKELSA-N 399.466 3.030 0 1 GGAF O=C(C1=CC2=N[C@@H](c3ccc(Cl)cc3)C[C@H](C(F)(F)F)N2N1)N1CCCC1 104010419 JOYYBMUWQZZUAD-UKRRQHHQSA-N 398.816 3.441 0 3 GGAF O=c1oc2ncccc2n1CCCCCN1CCN(c2ccc(F)cc2)CC1 28263466 KIQKZVZZDVFWOL-UHFFFAOYSA-N 384.455 3.121 0 1 GGAF O=C(c1ccccn1)c1cnn2c(-c3cccc(NC(=O)C4CC4)c3)ccnc12 28819307 XBGZCZMMDBLIRO-UHFFFAOYSA-N 383.411 3.371 0 1 GGAF Cc1ccc(OCCN2CC[C@@]2(C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 61928043 FUHINQGKKORQCS-QFIPXVFZSA-N 382.460 3.248 0 3 GGAF C[C@@]12CC[C@H]3[C@@H](C[C@H]4OC[C@]35CC[C@H](O)C[C@]45Br)[C@H]1CCC2=O 2356671931 PNLOSOCURUFDEO-MOEHFGTHSA-N 383.326 3.465 0 1 GGAF CCOC(=O)C[C@H]1c2ccccc2-n2nncc2CN1Cc1ccc(OC)cc1 61943100 LRIFLMBEDHSRJN-NRFANRHFSA-N 392.459 3.286 0 3 GGAF CC(C)c1ccc(N2C(=O)N[C@@H]3CCN(C(=O)c4ccccc4)[C@@H]3C2=O)cc1 4260698 CSULCJICBLHNIO-MOPGFXCFSA-N 377.444 3.150 0 1 GGAF biogenic CCNc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)ncc12 210842009 UZDJMBVYGMDPGV-WMZOPIPTSA-N 380.452 3.432 0 1 GGAF COc1cc(-c2oc3c(C)c(OC)c(OC)c(O)c3c(=O)c2OC)ccc1O 14437994 UTIXQANYHCSQSU-UHFFFAOYSA-N 388.372 3.214 0 1 GGAF biogenic C[C@@]12C[C@@H](CC3=C1[C@@H](OC(=O)c1ccccc1)[C@H](c1ccoc1)OC3=O)OC2=O 197224227 VMPUNXPSXDRNOX-AQHYUZTGSA-N 394.379 3.125 0 1 GGAF NC(=O)c1c(F)ccc(OCc2nc3cc(-c4ncno4)ccc3s2)c1F 49784254 VRTLGLOQUXFGTN-UHFFFAOYSA-N 388.355 3.302 0 1 GGAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CNc2noc(C)c2C)cc1 199933910 RQCCEUQIUUOKJH-UHFFFAOYSA-N 389.481 3.055 0 1 GGAF C[C@@H]1CNc2c(NCC3CCCCC3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82212254 LAAPIBLZHQEOMK-CQSZACIVSA-N 386.471 3.176 0 1 GGAF O=c1ccc(-c2ccc(Cl)cc2)nn1CCN1CCN(c2ccccc2)CC1 98085575 BPHJAVDYWBHSET-UHFFFAOYSA-N 394.906 3.386 0 1 GGAF Cc1cc(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)cc2cn[nH]c12 263621261 YEEUURWABWXHDJ-UHFFFAOYSA-N 384.480 3.344 0 1 GGAF in-vitro O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12C1CCOCC1 299831021 ZTKJYLCCEPZUGP-QFIPXVFZSA-N 398.409 3.156 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CS(=O)(=O)c1ccccc12 587609837 AIHHQBNURPDJDW-NQIIRXRSSA-N 394.404 3.037 0 1 GGAF O=S(=O)(O)c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587135354 XPKDYTUUQHXXIY-UHFFFAOYSA-N 378.328 3.322 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cn2)OCCO3)N1 587779161 QMKYWSLAEAIEGM-XLFHBGCDSA-N 379.229 3.378 0 1 GGAF COC(=O)C1CC2(C1)CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590529 CMLIQZILBUEDKN-AGWSKPNPSA-N 380.396 3.456 0 1 GGAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(F)c(Br)c2[nH]1 586961063 FGEWZKIZTFLJFF-YFKPBYRVSA-N 384.234 3.396 0 1 GGAF CCCS(=O)(=O)N1CCC(c2nc3cc(Cl)nc(Cl)c3[nH]2)CC1 586952304 IAVYFHLCZMFXSC-UHFFFAOYSA-N 377.297 3.184 0 1 GGAF Cc1cc2c(cc1O)[C@H](c1cc(Br)cnc1Cl)N[C@H](C(=O)O)C2 963525490 NCJXBARAPCDERN-GXTWGEPZSA-N 397.656 3.200 0 1 GGAF NC[C@]1(Cc2ccc(F)cc2)CCC[C@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962898965 NHNVTHXPAWGBSJ-VLCRHTCISA-N 386.442 3.131 0 1 GGAF Cc1c(Cl)nc(OC[C@H]2C[C@@H]2c2ccccn2)nc1NCc1cnn(C)c1 169703981 KIYBJKHIYOZLEC-CABCVRRESA-N 384.871 3.362 0 1 GGAF COC(=O)c1cccc(NCC(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1 202051334 UKIZAQQWJSEFEW-UHFFFAOYSA-N 381.417 3.010 0 1 GGAF CC(C)=CCOc1c2ccoc2c(OC[C@H](O)C(C)(C)O)c2oc(=O)ccc12 1857569909 ICMNDVORODZDES-HNNXBMFYSA-N 388.416 3.395 0 1 GGAF CS(=O)(=O)c1nc(-c2ccc(Oc3ncccc3C(F)(F)F)cc2)n[nH]1 1857751439 HQPDLGYEHVAMTQ-UHFFFAOYSA-N 384.339 3.081 0 1 GGAF COc1ccc(CN(C(=O)Nc2ccc(Cl)cc2)n2cnnc2)cc1OC 1857752099 RHNMSSMAMOGQLK-UHFFFAOYSA-N 387.827 3.319 0 1 GGAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3)n2)[C@@H](NCC2CCCCC2)C[C@H]1O 2356331350 XAZSCJUVKJPZNA-CWBXHPNXSA-N 395.547 3.214 0 1 GGAF O=C(NCc1ccccn1)c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 3043627 AIJZILOAOCUJHM-UHFFFAOYSA-N 388.452 3.373 0 1 GGAF O=C(O)c1ccccc1NC(=O)N1CCN(c2c(Cl)cncc2Cl)CC1 28969606 FJTJOZZGBJSIHY-UHFFFAOYSA-N 395.246 3.441 0 1 GGAF COc1ccc([C@]2(c3cccc(-c4cccnc4F)c3)NC(=N)N(C)C2=O)cc1 64512885 RIWZSRFUUJMOEH-JOCHJYFZSA-N 390.418 3.136 0 1 GGAF CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(C(C)C)c1 71317460 BCHBFHFXBPRLMV-FCHUYYIVSA-N 390.474 3.286 0 1 GGAF C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C[C@H]2c2ccccn2)cc1 73240048 CITBWOHPECEAHH-XLIONFOSSA-N 392.503 3.343 0 1 GGAF COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(O)cc2)cs1 82195473 SVPBWRNWQKLGKH-HNNXBMFYSA-N 395.550 3.202 0 1 GGAF COc1ccc2c(c1O)[C@]13CCN(C)[C@@H](C2)[C@]1(O)C[C@@H]1c2ccccc2N[C@H]1C3 253685231 IHRCRJPSYSWXEH-ZVSZVRFYSA-N 392.499 3.002 0 1 GGAF COC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccccc1Cl 587649638 RPHDMJDWRBOJJS-UHFFFAOYSA-N 391.832 3.242 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)CNC(=O)C3)N1 587792214 HJYZMFTTXFZXMV-IPPDQLOFSA-N 381.289 3.398 0 1 GGAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(F)cnc2[nH]1 586953961 UTBRKSNKKJMMQT-UHFFFAOYSA-N 375.410 3.021 0 1 GGAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](O)CC(C)C)[nH]c2c1 586901064 NWWMWGIZNRRKPL-KRWDZBQOSA-N 389.477 3.452 0 1 GGAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2coc3ccccc3c2=O)N1 962977387 PGEGQLDSGQMXKH-CXAGYDPISA-N 391.757 3.413 0 1 GGAF COc1ccc2c(c1OC)C1([C@H]3CC4C[C@H]1CC(NC(C)=O)(C4)C3)N(C)[C@@H](C)C2 962625729 FSCAHLHMRLCYGU-CLRKKVJMSA-N 398.547 3.490 0 1 GGAF C[C@]1(CN)CCc2ccccc2[C@]12c1c(Cl)ccc3c1CCN2[C@H]3C(=O)O 962573211 MXZBXCBTUHNODQ-FCEUIQTBSA-N 382.891 3.492 0 1 GGAF CN1C(=O)[C@@H](C(=O)O)[C@]2(NCCc3cccc(-c4ccccc4)c32)c2ccccc21 962671038 WCNQKNUFGKTUPB-DHLKQENFSA-N 398.462 3.420 0 1 GGAF CCn1nc(C)c([C@]2(C(F)(F)F)NCCc3ccc(C(=O)N(C)C)cc32)c1C 962930740 MIVKLXDTDQIPLF-LJQANCHMSA-N 394.441 3.173 0 1 GGAF S=C(NCc1cccc(Br)c1)N1CCC(c2c[nH]cn2)CC1 13808009 WOWWHVKKLBEBTR-UHFFFAOYSA-N 379.327 3.426 0 1 GGAF CC(C)Oc1ccccc1N1CCN(/C=C/CC(=O)CN2CCCCC2=O)CC1 169716383 UIXFLDNWOWXYNJ-KPKJPENVSA-N 399.535 3.081 0 1 GGAF CC(C)(C)NC(=O)[C@@]1(CCc2ccccc2)OC(=O)[C@H](Cc2ccccc2)C1=O 169718162 SEXMJXDOLDPQNT-DVECYGJZSA-N 393.483 3.258 0 1 GGAF O=C(c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1)N1CCNCC1 584606525 XJNLQAUECWCBNY-UHFFFAOYSA-N 384.386 3.405 0 1 GGAF O=C(NCc1ccc2c(c1)OCO2)c1cc2c(=O)[nH]c3ccccc3c2s1 4929459 IZSQIQIDPOKNQX-UHFFFAOYSA-N 378.409 3.402 0 1 GGAF Cc1ccc(C(=O)[C@H](Cn2nnc3ccccc32)OC(=O)c2cccnc2)cc1 103293221 PFUGFAOKXOBJFO-FQEVSTJZSA-N 386.411 3.243 0 1 GGAF Cc1nc(C)c(-c2ccc(-c3ccc(CC(=O)O)cc3)c(F)c2)nc1C(N)=O 103298710 SDUBRFKTNUTYRK-UHFFFAOYSA-N 379.391 3.293 0 1 GGAF CC1(C)CC(n2ncc(NCCN3CCOCC3)c(Cl)c2=O)CC(C)(C)C1 118639198 IPKZJDRFHYSXPR-UHFFFAOYSA-N 396.963 3.418 0 1 GGAF N[C@H](C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1cccc(Cl)c1 28891736 IRCMQFHWDQBWEZ-IBGZPJMESA-N 383.883 3.319 0 1 GGAF CSC=CC(=O)O[C@@H]1Cc2c(cc3oc(C)cc(=O)c3c2O)OC1(C)C 2356562422 SPAMVRJQZFCUHE-OAHLLOKOSA-N 376.430 3.309 0 1 GGAF CN1[C@H]2CC[C@@H]1[C@H](C(=O)OCc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 36271085 CODRVQGKDHKTDZ-BQJUDKOJSA-N 379.456 3.438 0 1 GGAF C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@@H](c3ccccn3)C2)cc1 73224205 PSLXXKMQUAZROE-YLJYHZDGSA-N 392.503 3.343 0 1 GGAF Cc1cc(C)cc(C(=O)c2cc(Cl)ccc2OCCn2ccc(=O)[nH]c2=O)c1 72127533 ASJUXNPQBIFFSO-UHFFFAOYSA-N 398.846 3.117 0 1 GGAF O=C(CN1Cc2ccccc2O[C@@H](c2ccccc2F)C1)NC1CCOCC1 39355537 HPUDIOJTDXIXJO-OAQYLSRUSA-N 384.451 3.057 0 1 GGAF CN(C)CCCNC(=O)CCCCCN1C(=O)c2cccc3cccc(c23)C1=O 31847780 ZTLCCXBHDNITGI-UHFFFAOYSA-N 395.503 3.064 0 1 GGAF COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C(=O)[C@](C)(O)[C@H]2C)cc1OC 14641165 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CCOC(=O)C[C@]1(c2cc(C)nn2C)CC(=O)c2ccc3c(c2O1)CCCC3 587513566 CJBIZOXNPGRWAA-QFIPXVFZSA-N 382.460 3.421 0 1 GGAF Oc1nc(S)nc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc12 587016506 BOAMZRYNPJXBJG-UHFFFAOYSA-N 393.457 3.184 0 1 GGAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(Cn3ccnc3)c12 1772657757 GCWOOXVSKJHKQQ-CYBMUJFWSA-N 391.435 3.094 0 1 GGAF Cc1c(-c2ccc3ccccc3c2)sc2c1c(=O)n(CCCO)c(=O)n2C 1772585648 HCIVWUGQMGIAGQ-UHFFFAOYSA-N 380.469 3.273 0 1 GGAF COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)N(CCN(C)C)C(=O)C[C@H]12 5850652 NSHFMXJGYQEOFH-VAWZGJIGSA-N 384.520 3.078 0 1 GGAF CN1[C@H](C(=O)NCc2ccco2)C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]21 13660786 RXEOZLZBPPKMPL-TYCQWZJGSA-N 386.455 3.474 0 3 GGAF CC(=O)Nc1ccc(SC[C@H](CC(C)C)N2CCN(C)CCC2=O)cc1 13830316 BTUNYMHKVURRJB-SFHVURJKSA-N 377.554 3.316 0 1 GGAF COC(=O)[C@@H]1[C@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C 598412 SIIICDNNMDMWCI-BYNSBNAKSA-N 385.245 3.031 0 1 GGAF O=C1Nc2ccccc2[C@@](O)(C(=O)NC2CC2)N1c1ccc(Cl)c(Cl)c1 3665933 JKXNEWQEOGIYSJ-GOSISDBHSA-N 392.242 3.469 0 3 GGAF CC[C@H](C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 3896022 NPILYSKRYGCCQY-MAUKXSAKSA-N 380.554 3.442 0 1 GGAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCCc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 100646793 WSTBUYSFCXEAIP-MYGLTJDJSA-N 393.483 3.481 0 1 GGAF CCN1C(=O)[C@@H](N2CCN(Cc3ccc(C)cc3)CC2)CCc2ccccc21 26248915 IFFCYSLODLRHJM-QHCPKHFHSA-N 377.532 3.481 0 1 GGAF COc1ccc2c(c1)C[C@H](C(=O)N1CCc3[nH]nc(-c4ccccc4)c3C1)CO2 20363426 DLCMRSBQMKGFBZ-KRWDZBQOSA-N 389.455 3.221 0 1 GGAF CCCC[C@H]1CO[C@]23C=C[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5c2[C@@]4(CCN1)[C@H]3O5 27563555 SDVWBEMVMAHIKI-MVJVGAHYSA-N 379.500 3.461 0 1 GGAF CCc1nc2nc(C)cc(Nc3ccc(I)cc3)n2n1 20177328 YEGUTCXBSDUCSP-UHFFFAOYSA-N 379.205 3.343 0 1 GGAF CC(=O)O[C@@H]1CC[C@@](C)(O)C=C[C@](O)(C(C)C)CCC2=CCC[C@@]1(C)OC2=O 2356793940 KUOWRTRXMGVVIW-NMIHRBCNSA-N 394.508 3.209 0 1 GGAF CSc1cccc(NC(=O)NC[C@@H]2C[C@H]3CCN2C[C@H]3CN2CCCC2)c1 2356866591 WGGBCPHGDIIOKW-LMMKCTJWSA-N 388.581 3.336 0 1 GGAF O=C1COc2ccc(NC(=O)C3CCN(c4cc(F)cc(F)c4)CC3)cc2N1 38267924 XRDCHURHOUDZOR-UHFFFAOYSA-N 387.386 3.151 0 1 GGAF C[C@]12CC[C@@H]3c4cc(Cl)c(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O 72283446 OCMPCNKBNUQUCT-JPVZDGGYSA-N 383.897 3.348 0 1 GGAF CN(Cc1cccc(Cl)c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40565099 ILUIZGNZMNAGAH-LJQANCHMSA-N 392.837 3.230 0 1 GGAF CCCCc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 84690334 XMDAQMWILNVNIT-AVRDEDQJSA-N 392.499 3.367 0 1 GGAF COC(=O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@@](C)([C@H]1CC[C@H](O)C1)C2 238746208 MPUAIANXFQMSHQ-LDLUMPKVSA-N 387.259 3.451 0 1 GGAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCOCC2)cn1 143067744 MXQFCGCFQGLGKN-UHFFFAOYSA-N 379.416 3.096 0 1 GGAF O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 95893442 GTTYHYNLUWOOHE-FSSWDIPSSA-N 377.488 3.061 0 1 GGAF CN1CCN(c2nc3cc4c(cc3o2)CCN(C)C[C@@H]4c2ccccc2)CC1 299825522 CQGFBLASKNNFBS-HXUWFJFHSA-N 376.504 3.199 0 1 GGAF Oc1ccccc1C1(c2nc3cc(I)cnc3[nH]2)CC1 586897315 ZWVACAXZGRPJFZ-UHFFFAOYSA-N 377.185 3.348 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(O)ccc12 587791551 KAXWWKVIDNGDKX-QPFGOUBPSA-N 377.213 3.024 0 1 GGAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1 587203728 SCTYIBDGPLKLMA-NSHDSACASA-N 392.774 3.193 0 1 GGAF O=C1c2ccc(O)cc2O[C@](c2cccs2)(C(O)O)[C@H]1c1ccc(F)cc1 587371328 BYRFTJIUIVFBMP-PXNSSMCTSA-N 386.400 3.158 0 1 GGAF Cc1nc(O)nc(S)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587847731 XWECPVDLYHGONM-GYKQLYQFSA-N 398.301 3.479 0 1 GGAF COC(=O)[C@@H]1CC(OC)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587809798 JKJVODFBAAHIJD-IJPZITHUSA-N 384.245 3.041 0 1 GGAF CC1=C[C@]2(C=C(C(=O)O)N1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587758807 JNEQFKKEIJYCGD-HUTHGQBESA-N 381.245 3.135 0 1 GGAF CCOC(=O)[C@@H]1CC[C@@]2(CO1)N[C@H](C)Cc1ccc(F)c(Br)c12 587831327 IAUOMUQUZHBLOO-PGQWDYDZSA-N 386.261 3.060 0 1 GGAF O=C1NCc2c1c1c(c3c2c2cc(CO)ccc2n3CCCO)Cc2ccccc2-1 13530083 NGAHBWQJAWAMQI-UHFFFAOYSA-N 398.462 3.484 0 1 GGAF Oc1nc2c(c3nc(-c4ccccc4F)nn13)CN(CCc1ccccc1)CC2 13824520 BUKOQOVKIFCERX-UHFFFAOYSA-N 389.434 3.237 0 1 GGAF CC(C)(C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1N1CCC1 206088175 DSFJTSSJSJDOGO-UHFFFAOYSA-N 390.491 3.331 0 1 GGAF C[S@@](=O)CCCCNC(=S)SC1CCN(C(=O)OC(C)(C)C)CC1 1857535025 DTSUQZZULRVNHZ-XMMPIXPASA-N 394.628 3.152 0 1 GGAF CCC=CCC=CCC=CC[C@H]1[C@H](C=C[C@H](O)CCC(=O)O)[C@@H](O)C[C@H]1O 2356311897 XAFFULPVQSAGOV-FCMAGTKHSA-N 378.509 3.375 0 1 GGAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2oc4ccccc4c2C[C@@]3(O)[C@H]1C5 3794572 RKESUOQMTLHURV-LMDOGRNLSA-N 375.424 3.057 0 1 GGAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCCN1CCCC1=O 4214913 QFDCBJDKNHSKBF-PMACEKPBSA-N 389.496 3.422 0 1 GGAF C[C@]1(O)CCN(C(=O)C2CCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 2356407679 HTUHAPYNGGGTJN-IPJJNNNSSA-N 398.528 3.371 0 1 GGAF C[C@H](O)[C@H](/C=C/C=C/C(=O)O)[C@H](C)C[C@@H](C)[C@@H](O)CC(=O)c1ccc(N)cc1 58543755 KCSUEQGOSJTUAZ-XFBRRRRSSA-N 389.492 3.059 0 1 GGAF CS(=O)(=O)Nc1cc(-c2cnc3cc(-c4cccnc4)ccn23)cnc1Cl 113699311 XQLPJENHNDEWJH-UHFFFAOYSA-N 399.863 3.483 0 1 GGAF C[C@@H]([C@H](O)c1ccc2nc(O)oc2c1)N1CCC(O)(c2ccc(F)cc2)CC1 28952064 SBUUMDUQHYKBLC-DJJJIMSYSA-N 386.423 3.078 0 1 GGAF COc1ccc(CCNC2=C(c3c(C)[nH]c4ccccc34)C(=O)N(C)C2=O)cc1 64451019 QOLAJZUWTMZODU-UHFFFAOYSA-N 389.455 3.027 0 1 GGAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)co1 82072799 MPGCFCPHHDXEOT-SFHVURJKSA-N 379.416 3.164 0 1 GGAF COc1ccc2cc(-c3nn(CC4CCNCC4)c4ncnc(N)c34)ccc2c1 84668816 MBHHJCMRPHUOAD-UHFFFAOYSA-N 388.475 3.237 0 1 GGAF in-vitro Cc1cc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)cc(C)n1 221613794 IRMUJRBEBCVTAA-UHFFFAOYSA-N 389.434 3.476 0 1 GGAF CC(C)CO[C@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40933993 QDHKBIPGDXCJCB-CJNGLKHVSA-N 380.876 3.337 0 1 GGAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587238814 GHTRPZCNTHBAQE-UHFFFAOYSA-N 398.366 3.322 0 1 GGAF COC(=O)c1csc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587850753 FJEOUMGSTCEENA-WPPNPWJKSA-N 385.258 3.455 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1n[nH]c2c1CCCC2 587869628 LSOQWVRBYLTVSJ-UHFFFAOYSA-N 391.353 3.263 0 1 GGAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ncc[nH]c-4n3)cc2)cc1F 587147553 PRAPZCAIAQDQCY-UHFFFAOYSA-N 375.407 3.451 0 1 GGAF CC(C)(Oc1ccc(Br)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586995133 DJHDQJYERKRLCO-UHFFFAOYSA-N 382.649 3.447 0 1 GGAF COc1cc2c3c(c1)O[C@]1(c4ccc(N)cc4C(=O)c4ccc(N)cc41)[C@@H](C2)C3=O 587433643 SQOURNVJPIXMKW-CYFREDJKSA-N 398.418 3.095 0 1 GGAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](NC)c3cccnc3)nc2c1 587223545 NWXDPCBXIKGBIN-CQSZACIVSA-N 389.253 3.206 0 1 GGAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@]2(N1)C(=O)Oc1ccccc12 963183113 SIXSSOIYKDSNEH-CXAGYDPISA-N 397.736 3.120 0 1 GGAF COc1c([C@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(O)nc2ccccc12 963035689 SRQKUNYYDDXEGR-ZAMGYDSWSA-N 389.455 3.266 0 1 GGAF CSc1ncc([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)[nH]1 962645927 SGBZVYKIFAKGRL-PMACEKPBSA-N 382.489 3.042 0 1 GGAF CCn1cc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C2CC2)n1 962982191 WPEZMZYYWZPTSX-CXAGYDPISA-N 381.810 3.400 0 1 GGAF C=CCn1cc(C(=O)NCCCN(CC)CC)c(=O)c2ccc(Cl)cc21 221261442 QYONOZLXAVOHKX-UHFFFAOYSA-N 375.900 3.303 0 1 GGAF CN1CCN(CCCOc2ccc3c(c2)N(Cc2ccccc2)C(=O)CC3)CC1 169308748 LBFGDEHQKGFMNB-UHFFFAOYSA-N 393.531 3.182 0 1 GGAF C/C=C1/CN2[C@H]3C[C@@H]1[C@@](COC(C)=O)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 164979391 BTWSGPSNLRSENY-KBEYUBTESA-N 394.471 3.138 0 1 GGAF O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1cc(F)cc(F)c1 203474914 CQHSQTGCTWFZLF-OYUDYFSCSA-N 388.414 3.271 0 3 GGAF O=S(=O)(NCc1cc(-c2ccc3c(c2)OCO3)no1)c1ccc(Cl)cc1 1251760125 NIBJCICRGIHIPC-UHFFFAOYSA-N 392.820 3.202 0 1 GGAF CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(I)cc1 13473545 HIEFOCVVJHTIMX-ZIAGYGMSSA-N 393.290 3.255 0 1 GGAF CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(F)c2)c1 1343314 PRKCJAYUWUDPET-GOSISDBHSA-N 384.411 3.419 0 3 GGAF Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccccc1 3614987 QOCBFOYIOJWETK-FQEVSTJZSA-N 375.428 3.102 0 1 GGAF O=C(Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12)Nc1ccc2c(c1)OCCO2 4035043 BNGCFESDOZGYEF-UHFFFAOYSA-N 386.791 3.472 0 3 GGAF COC1=NO[C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1c1ccc(OC)c(O)c1 6718462 QHZKXSQNBJMZMH-ZWKOTPCHSA-N 389.404 3.242 0 1 GGAF COc1ccccc1N1CCN(CCCNC(=O)C23C[C@@H]4CC2C[C@H](C4)C3)CC1 100840406 ZJOCEDFOQUAJHZ-GPMGNMNSSA-N 397.563 3.150 0 1 GGAF CN(C)c1ccc(-c2nnc(NCc3nc4ccccc4c(=O)[nH]3)s2)cc1 103169239 CCQUZVLOGBGFPU-UHFFFAOYSA-N 378.461 3.120 0 1 GGAF O=C(Cc1cccs1)N1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1 21650289 SMGSZPOROSJOPN-UHFFFAOYSA-N 388.880 3.343 0 1 GGAF Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@@H]2COc3cc(F)ccc3O2)CC1 27899714 YXVVUQJDVSLLRF-QGZVFWFLSA-N 397.450 3.254 0 1 GGAF C[C@@H]1CN(C)[C@@H]2C[C@H](NC(=O)CCN3CCCCC3)C[C@@]1(c1cccc(O)c1)C2 29478553 GZHJRJMEXYUULM-LOCCHRAXSA-N 399.579 3.125 0 1 GGAF Cc1c(-c2ccc(OCc3ccccc3)cc2)cnc2c(-c3nnn[nH]3)cnn12 34820049 CUDFGYBCDPHXLZ-UHFFFAOYSA-N 383.415 3.464 0 1 GGAF CC(C)N1CNc2c(Nc3ccccc3C(F)(F)F)nc(NCCO)nc21 70719104 OSAMQBWUMHBLIS-UHFFFAOYSA-N 382.390 3.241 0 1 GGAF C[C@@H](O)c1cccc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1 144389991 VSYPUASZWHWIDK-CQSZACIVSA-N 399.454 3.313 0 1 GGAF CCN1CCN(C(=O)c2cccc(-c3cc(-c4ccc(C)o4)nc(N)n3)c2)CC1 653767984 UQWBHMRNMCLLLN-UHFFFAOYSA-N 391.475 3.072 0 1 GGAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3ccc4ncccc4c3[nH]2)s1 587024428 ZPBINVLOIRCFJK-UHFFFAOYSA-N 382.449 3.322 0 1 GGAF CCOC(=O)c1n[nH]cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587789160 AHJSTUGXWNQHHU-CLAHSXSESA-N 382.233 3.112 0 1 GGAF COC(=O)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2n1 587168947 UBJGPRSSRZDAHC-UHFFFAOYSA-N 378.367 3.009 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](S(C)(=O)=O)C2)N1 587850807 RZGCXXUQJNRGBT-XAGWURHQSA-N 390.318 3.305 0 1 GGAF COC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444748 UFYGVPFMGSNUBL-UZUQRXQVSA-N 394.423 3.087 0 1 GGAF O=C(O)c1cc(Br)ccc1-n1ncc2ccc(Cl)cc2c1=O 587650709 BYPGLWRTELKULJ-UHFFFAOYSA-N 379.597 3.500 0 1 GGAF N=c1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c[nH]1 586962458 XASYZKAXAVILEI-KKXDTOCCSA-N 397.504 3.065 0 1 GGAF COc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1OC 587277096 ZSJZDFINPJKRIG-UHFFFAOYSA-N 392.205 3.331 0 1 GGAF COC(=O)c1cc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cn1 587168517 YVEHUEHLNXBTSG-INIZCTEOSA-N 383.383 3.253 0 1 GGAF CC(C)Oc1ccc2nc(-c3nccnc3I)[nH]c2c1 587186326 HMXXMAVQODNKBI-UHFFFAOYSA-N 380.189 3.412 0 1 GGAF O=C1CSC[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)N1 587042252 BQZTXTWACGPSPD-SSDOTTSWSA-N 396.188 3.128 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596350 NXFMUTIMJOHNQJ-GCJKJVERSA-N 396.395 3.025 0 1 GGAF CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cccn3)c2)c2cnccc21 1772586106 HQGLZHNAOFUPCW-UHFFFAOYSA-N 388.431 3.078 0 1 GGAF COc1cc2c(cc1OC)[C@H]1O[C@@H](OC)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 15257524 STJFYCWYHROASW-TUNNFDKTSA-N 399.443 3.378 0 1 GGAF endogenous,in-man COc1ccc2cccc(CCNC(=O)C3CN(C(=O)c4ccccc4)C3)c2c1 169351167 DSMSRSRIJKFRCJ-UHFFFAOYSA-N 388.467 3.279 0 1 GGAF O=C(Nc1ccc(C(=O)N2CC[C@]23CCCNC3)cc1)N1Cc2ccccc2C1 166624876 MWEBVWCTPQEJSF-QHCPKHFHSA-N 390.487 3.202 0 1 GGAF COc1ccccc1CN1CCCC2(CCN(C(=O)c3csnn3)CC2)C1 3956156 ZKIOQDRBLXBNPW-UHFFFAOYSA-N 386.521 3.065 0 1 GGAF O=C(O)C[C@@H]1COc2cc(OCc3cn(-c4ccc(Cl)cc4)nn3)ccc21 1857534222 RXSVGUYXVUGACE-GFCCVEGCSA-N 385.807 3.450 0 1 GGAF O=C1[C@@H]2CCCN2C(=O)c2sc(N3CCCCC3)nc2N1Cc1ccccc1 1857575920 LEWKYWAPBRHSHF-INIZCTEOSA-N 396.516 3.285 0 1 GGAF O=C1[C@H]2C[C@@H](CN2Cc2nccs2)Oc2ccccc2N1Cc1cccnc1 2356303482 VXZNRHFGZAIPCB-FUHWJXTLSA-N 392.484 3.107 0 1 GGAF Cc1ccc(S(=O)(=O)N(C)Cc2ccc(-c3nnc4n3CCC4)cc2)cc1 3306675 SWYXEKHWMWIAGX-UHFFFAOYSA-N 382.489 3.020 0 3 GGAF Clc1cccc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)cnnc12 6998344 NTKGBJUEGDDGLL-UHFFFAOYSA-N 382.851 3.334 0 1 GGAF O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)[C@@H]1CC(=O)N(c2ccccc2)C1 103193667 CXFKMCBHHLKGBU-CYBMUJFWSA-N 382.807 3.382 0 1 GGAF CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCC2CCOCC2)O3)cc1 61903200 JWNVIENIXBOGCN-HSZRJFAPSA-N 395.503 3.051 0 3 GGAF COCCNc1cc(-n2c3c(c4cc(F)ccc42)C(=O)CCC3)ccc1C(N)=O 29047593 YGMHJOZDFSKKEC-UHFFFAOYSA-N 395.434 3.446 0 1 GGAF Cc1ccc(C(=O)N2CCC(COc3cccc4nc(N)nc(N)c34)CC2)cc1 28971784 NHPBJXIKGXOESK-UHFFFAOYSA-N 391.475 3.034 0 1 GGAF O=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCOCC4)nccn23)cc1 113137885 UIDRJOAJUDGRLX-UHFFFAOYSA-N 391.475 3.127 0 1 GGAF CC(=O)Oc1ccc2c(c1)C[C@@H](C)[C@@H]1[C@@H]2[C@@H](O[N+](=O)[O-])C[C@]2(C)C(=O)CC[C@@H]12 26395155 PASMNHLMENOGAM-OPYWHCCRSA-N 387.432 3.470 0 1 GGAF C[C@]12CC[C@@H]3[C@@H](CCC4=Cc5nn(S(C)(=O)=O)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 26183583 FREWIGFIXSUUMY-ICLLYECISA-N 390.549 3.234 0 1 GGAF CNC(=O)c1ccc2c(c1)CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117624381 YHKFCHQCQHOVQZ-NQIIRXRSSA-N 388.471 3.257 0 1 GGAF F[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1OCc1nc2ccccc2[nH]1 2356465121 HIMROJUCPLVJCM-FOIQADDNSA-N 383.423 3.073 0 1 GGAF COC(=O)/N=c1\[nH]c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2[nH]1 27635318 XCYONJWDRYMFMA-UHFFFAOYSA-N 378.310 3.434 0 1 GGAF CC(C)(C)CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)c2ccco2)c1=O 6357218 DAMAZIZBTGUAEB-CABCVRRESA-N 397.475 3.076 0 1 GGAF biogenic COc1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@@H](C)CN3)cc1 82211038 OWSFMKZIMOZNFP-HNNXBMFYSA-N 398.507 3.198 0 1 GGAF CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cn2)o1)C1CCCCC1 45253049 SQFIUEWOPGEFKI-KRWDZBQOSA-N 375.856 3.420 0 1 GGAF Cc1cnn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C3CC3)n2)c1 143095472 DIVNTGKXJPVIIX-UHFFFAOYSA-N 385.475 3.339 0 1 GGAF CC[C@@]1(O)CC[C@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)OC)C[C@@]42CN(C)C1 238743516 NEGWEUWYIYCILR-LLUJOHIESA-N 389.536 3.123 0 1 GGAF COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 142727986 GKUDLRHZODTZCB-JTFHBLMLSA-N 385.504 3.422 0 1 GGAF Cc1csc(NC(=O)c2ccc(COc3cccc(S(C)(=O)=O)c3)o2)n1 95755504 KZZMPTFDBCWAJJ-UHFFFAOYSA-N 392.458 3.279 0 1 GGAF C/C=C/c1ccc([C@H]2[C@H]3CN(Cc4ccc(F)cc4)CC(=O)N3[C@H]2CO)cc1 95796917 HFXWOQOWUWFQKI-YUFDSZMMSA-N 380.463 3.030 0 1 GGAF CNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(C(=O)O)cc3)n2)cn1 35426091 FQENNFVFBNMNRU-INIZCTEOSA-N 379.420 3.209 0 1 GGAF biogenic COC(=O)C1([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC(OC)(OC)C1 587521828 GLMKGUKRQVYUKV-HXUWFJFHSA-N 388.460 3.232 0 1 GGAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cncnc3[nH]2)C[C@H]2CCCC[C@H]21 586960740 NZKSTHCDPVGIJT-XYPHTWIQSA-N 383.477 3.047 0 1 GGAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)cc2N1 587124581 MVNIHMPLWDXUDI-WPPNPWJKSA-N 392.341 3.065 0 1 GGAF Cc1cc(Br)cc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c12 586930468 UJMVQPULULQEKP-UHFFFAOYSA-N 394.294 3.066 0 1 GGAF COC(=O)c1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1 587038736 LPXUSDGIFXOFOW-UHFFFAOYSA-N 375.410 3.215 0 1 GGAF Cc1ccc(-n2ccnc2SCc2nc3c(O)nc(S)nc3[nH]2)c(C)c1 586966899 VFGOUCZDCVESHE-UHFFFAOYSA-N 384.490 3.442 0 1 GGAF Cc1c2c(nn1C)[C@@H](c1ccccc1C(F)(F)C(F)(F)F)N[C@@H](C(=O)O)C2 962720033 YIRVFQMDJRCXEX-CHWSQXEVSA-N 389.324 3.071 0 1 GGAF C[C@@H](CC(N)=O)N[C@@H](c1ccc(Cl)c(C(=O)c2cccnc2)c1F)C1CC1 1772636051 IEKSKGWJFQKKFQ-JEOXALJRSA-N 389.858 3.410 0 1 GGAF Cc1cc2nc3n(c2cc1C)C[C@H]1C[C@@H](C(=O)NCCc2cccs2)N(C)[C@@H]31 13660741 GZZDLQKHHGJFCA-UIAACRFSSA-N 394.544 3.449 0 1 GGAF Cc1nc(OCC(F)(F)F)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 169311464 VOEZOGVCCNLDHU-GMJVTQJASA-N 390.427 3.062 0 1 GGAF C[C@]1(c2cc(NC(=O)c3ccc(C4CC4)cn3)ccc2F)N=C(N)OC[C@@H]1F 169702958 WTSAKQHAGKRFAQ-FXAWDEMLSA-N 386.402 3.249 0 1 GGAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@H]1c1cccc(-n2ccnc2)c1 169714451 CAUXGPSIQSZXEE-IEBWSBKVSA-N 381.432 3.057 0 1 GGAF CC(=O)O/C(=C1\C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 1492550 SLOIAKGRDWCWBW-YPKPFQOOSA-N 380.784 3.397 0 1 GGAF CCc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 103247022 VIJAQTISDPENBI-UXEHXKBYSA-N 376.522 3.226 0 1 GGAF COc1cc(C(=O)N2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)ccc1C 28955443 WXKCKYDBENLVEH-UHFFFAOYSA-N 383.423 3.263 0 1 GGAF Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cccc(-c2nnn[nH]2)c1 114605805 HHNBQCHADDEVBY-UHFFFAOYSA-N 384.248 3.283 0 1 GGAF COc1ccc(C2=C[C@H](c3c(OC)cc(OC)cc3OC)NC(=S)N2)cc1 103279107 CXPOAWDFRNXHQS-MRXNPFEDSA-N 386.473 3.281 0 1 GGAF S=c1[nH]nc(CCc2nc(-c3ccccc3)no2)n1CCCn1ccnc1 64528191 SMSSSPKQWDYVHW-UHFFFAOYSA-N 381.465 3.063 0 1 GGAF Cc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)[n+](=O)c2cc(F)ccc2n1O 64415724 JDWURBFBCUJVDC-UHFFFAOYSA-O 396.320 3.189 0 1 GGAF O=C(O)c1ccc(CN2C[C@H](F)[C@H](OCc3nc4ccc(F)cc4[nH]3)C2)cc1 2356600582 QEXLZDITYIUFNM-MAUKXSAKSA-N 387.386 3.139 0 1 GGAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(/C=C/I)cc1)N2 28007678 GZWPHROGQGOESZ-WMNSJFOOSA-N 397.256 3.489 0 1 GGAF CS(=O)(=O)c1ccc(C2=NN(C(N)=S)[C@@H](c3ccc(Cl)cc3)C2)cc1 66260243 BZNFRRPUMXAVHO-MRXNPFEDSA-N 393.921 3.138 0 1 GGAF CC[C@@H]1C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C[C@H]1C(=COC)C(=O)OC 2356871163 XXZOQSSCBPFYEH-URKNILKWSA-N 382.460 3.343 0 1 GGAF CCOC(=O)c1cnn(-c2ncnc3sc4c(c23)-c2ccccc2CC4)c1N 40395476 AGUYBJOLAQJCQR-UHFFFAOYSA-N 391.456 3.402 0 1 GGAF O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2C[C@H]1c1nccs1 49125985 ICLCLISNCTWXGA-AWEZNQCLSA-N 380.882 3.008 0 1 GGAF CC(=O)NCCn1c(C[C@H](C)c2ccccc2)nc2c(NCC3CC3)ncnc21 82185867 PWCHMGIFLXXNFJ-HNNXBMFYSA-N 392.507 3.131 0 1 GGAF Cn1cc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1 96170120 ROIWHNYUCOLNNK-UHFFFAOYSA-N 392.846 3.308 0 1 GGAF CC1(C)Oc2ccc(-c3ccnc(Cl)c3)cc2[C@]2(COC(N)=N2)C12COC2 148949588 WMXJIIQTWLMWSN-HXUWFJFHSA-N 385.851 3.130 0 1 GGAF O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(F)cc1 95794767 QWTIISNEFUUELY-FYYLOGMGSA-N 394.490 3.167 0 1 GGAF CCCN1CCN(c2nc(CCN(C)C(=O)c3ccc(C)cc3)cs2)CC1 98082646 WIHUSKNWZMLCIQ-UHFFFAOYSA-N 386.565 3.298 0 1 GGAF O=S(=O)(Nc1ccc(CO)c(CO)c1)c1ccc(-c2ccc(F)cc2)cc1 95585789 TYUVTDPQVAYGMP-UHFFFAOYSA-N 387.432 3.278 0 1 GGAF CC(C)Nc1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1 653759971 UDOOWYNSRLPYAH-UHFFFAOYSA-N 378.396 3.244 0 1 GGAF COc1ccc([C@@H](c2ccccc2)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 587935117 GMKLUVOKRPPFBK-LJQANCHMSA-N 393.468 3.399 0 1 GGAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(CO)ccc2[nH]1 586999524 FKRCHRBSXIGZPV-UHFFFAOYSA-N 387.189 3.297 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CN2CCC[C@H]2CO1 587864086 XBHBZRDBMUJZMQ-BLLLJJGKSA-N 395.381 3.081 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Cl)c1)C(O)O 587548615 QBHVTEBGSJCOEC-DYESRHJHSA-N 398.798 3.213 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COC13CCN(C(=O)OC(C)(C)C)CC3)O2 587402127 YTOBIWQYCWCXLW-NRFANRHFSA-N 388.464 3.081 0 1 GGAF CC(=O)c1cnn(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578634 ATZVSGHQIWBIHE-UWJYYQICSA-N 378.384 3.205 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccn(C)n2)N1 587764148 ONYKCJIXVDRXIW-AOSQPNEPSA-N 393.304 3.175 0 1 GGAF CCCCC[C@@H](O)CCC[C@@H](CCCCCCC(=O)O)S(=O)(=O)CCO 144419089 RWCBBFGXZXCUJG-QZTJIDSGSA-N 394.574 3.299 0 1 GGAF COc1ccc2c(c1OC)[C@]1(CCc3c(OCCN)cccc31)N(C)[C@H](C)C2 962640757 RUHYSWZCPICEJC-IQMFZBJNSA-N 382.504 3.108 0 1 GGAF COc1ccc2c(c1OC)[C@@H](C1(OC)CC1)N(C(=O)c1ccccc1N)CC2 963151752 GXBIHYIPCBYARR-FQEVSTJZSA-N 382.460 3.205 0 1 GGAF COc1ccnc([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1 962658543 DFBGGNQESVYVQB-FCHUYYIVSA-N 377.444 3.001 0 1 GGAF CCCC1=C[C@@]2(CC(=O)O1)c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962667422 NVBGFEOKHCPCJN-FGZHOGPDSA-N 380.444 3.160 0 1 GGAF COc1cccc(CN(C(=O)c2cccs2)[C@H](Cc2ccccc2)C(N)=O)c1 1772593662 XQTCHAKFHLUIGH-LJQANCHMSA-N 394.496 3.496 0 1 GGAF Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(OCCO)cc3)[nH]2)c1 118816752 VZYXOEWPFHERJH-UHFFFAOYSA-N 398.488 3.190 0 1 GGAF Cc1c(CC(N)=O)c2cc(NCCCC(=O)O)ccc2n1Cc1ccccc1 13446152 AUNYZVMGQGKPEB-UHFFFAOYSA-N 379.460 3.303 0 1 GGAF CNCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 13534282 KXVFQXVLMGMAOA-NQIIRXRSSA-N 380.479 3.158 0 1 GGAF CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3ccc(C(F)(F)F)cc3)cc21 13603257 MPXWCOONKGQENZ-UHFFFAOYSA-N 379.382 3.225 0 1 GGAF Cc1cc2nc3n(c2cc1C)C[C@H]1C[C@H](C(=O)NCCc2cccs2)N(C)[C@@H]31 13660739 GZZDLQKHHGJFCA-CDHQVMDDSA-N 394.544 3.449 0 1 GGAF CN1C(=O)[C@@H](NC(=O)Nc2ccccn2)N=C(c2ccccc2)c2ccccc21 13733023 OCYOPUXNKHBTCP-HXUWFJFHSA-N 385.427 3.043 0 1 GGAF O=C(N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21)C(F)(F)F 13745270 HASWZFFTZZAHTK-UHFFFAOYSA-N 375.310 3.209 0 1 GGAF O=C1CN(c2ccccc2Cl)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1 13763613 GAFVUWYICCYVDN-UHFFFAOYSA-N 385.228 3.151 0 1 GGAF COc1cc2c(cc1OC)[C@@H]1O[C@@H](OC)c3c(ccc4c3OCO4)[C@H]1N(C)CC2 165071264 STJFYCWYHROASW-RZUBCFFCSA-N 399.443 3.378 0 1 GGAF endogenous,in-man COC(=O)C1=CCC[C@](C)(O)[C@H](O)CCC(C(=O)OC)=CC=C(C(C)C)CC1 1857742382 VRJMJUCQLYGVBY-KNQAVFIVSA-N 394.508 3.234 0 1 GGAF CCOc1cc(CCNC(=O)[C@@]2(C)CON=C2c2ccccc2)ccc1OC 767833 OENCXFCFNUDMLA-QFIPXVFZSA-N 382.460 3.193 0 1 GGAF CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccnc2)[C@H]1c1cccs1 6722127 SCWHCAYEFQZPMS-RTBURBONSA-N 377.469 3.370 0 1 GGAF Cc1nn(C)c2c1N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2 100041532 BNIQTMIZFAHZET-UHFFFAOYSA-N 385.431 3.234 0 1 GGAF CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)c(=O)c2ccc(C(F)(F)F)cc21 103185349 LPPAFDRETPNAJM-AWEZNQCLSA-N 398.381 3.269 0 1 GGAF COc1ccc(CCNC(=O)OCc2oc(=O)oc2-c2ccccc2)cc1OC 27549931 ZMSPACWXSUAJGJ-UHFFFAOYSA-N 399.399 3.386 0 1 GGAF CC(=O)OCC(=CCCC(C)=CCO)CC[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1 2356610320 HQNQQDPJKGHMFM-TUNNFDKTSA-N 398.540 3.044 0 1 GGAF O=C1[C@H]2C[C@@H](CN2C(=O)c2ccccn2)Oc2ccccc2N1Cc1ccccc1 2356645287 KXXCNHALQHKDLH-GHTZIAJQSA-N 399.450 3.291 0 1 GGAF Cc1cc(NS(C)(=O)=O)cc(C)c1NC(=O)C[C@@H]1CCCN2CCCC[C@H]12 35090960 OOAZNWFXPCUFSE-FUHWJXTLSA-N 393.553 3.268 0 1 GGAF CC(C)(OC(=O)C(=O)c1ccc(O)cc1)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 14587240 RNTJDJDUXWVMJY-GOSISDBHSA-N 394.379 3.007 0 1 GGAF biogenic COc1ccc(C[C@@H]2CO[C@@H](O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC 14642318 YSJWRVMJZYIPHE-DRSNIGMVSA-N 388.460 3.087 0 1 GGAF biogenic NC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCO4)n(-c3ccccn3)n2)cc1 43074546 NVNUCFRMZFMEGK-UHFFFAOYSA-N 384.395 3.429 0 1 GGAF CCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 82196286 IDFAQLSLEHFTKP-UHFFFAOYSA-N 398.532 3.379 0 1 GGAF COc1ccc(-c2ccc3nnc(-c4ccc(OC)c(OC)c4OC)n3n2)cc1 198783216 OIBRAJYFESLLMP-UHFFFAOYSA-N 392.415 3.493 0 1 GGAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc([C@@H](C)O)nn12 96933396 LMGUYYRKCSRAIH-MRVPVSSYSA-N 381.219 3.350 0 1 GGAF COc1ccc(N(C)C(=O)Cn2c(=O)oc3ccc(-c4cccnc4)cc32)cc1 96939243 HJGYCPZHQMLIHO-UHFFFAOYSA-N 389.411 3.328 0 1 GGAF O=C(NC(=S)N1CCCCCC1)c1ccccc1C(=O)OCC(F)(F)F 68576352 FVWUCHDNMKUQBD-UHFFFAOYSA-N 388.411 3.296 0 1 GGAF biogenic COc1ccc(OCc2cn(Cc3cc(=O)oc4ccc(OC)cc34)nn2)cc1 653751687 DBYVVGSLAOPZML-UHFFFAOYSA-N 393.399 3.029 0 1 GGAF O=C(Cc1ccccc1)NCCc1nc2c(Cl)c(Br)cnc2[nH]1 587228670 PMNDHFKWTIFZDI-UHFFFAOYSA-N 393.672 3.275 0 1 GGAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(CCOc3ncccc32)N1 963171976 CFQXWXKHOUTYFK-PXAZEXFGSA-N 398.768 3.379 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OC[C@@H]3CCOC3)c2cn1)c1ccccc1 1772644748 OGDBMJHMIZHIRT-ZIAGYGMSSA-N 381.436 3.256 0 1 GGAF COc1cc([C@@]23OC[C@@H]4[C@@H](OC[C@@H]42)c2cc4c(cc23)OCO4)cc(OC)c1OC 1862592 XDKZFFURXVOVOH-QPHVIBCCSA-N 398.411 3.032 0 1 GGAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4054518 KEOIJLXDGIJWID-WNYOCNMUSA-N 385.895 3.498 0 1 GGAF COCO[C@@H]1CC2=C(C)C3=C(C=C[C@]24COC(=O)[C@@H]4C1)C(=O)O[C@H]3c1ccoc1 103232811 URCMLDCHNZSTPO-YZHKUDHRSA-N 398.411 3.003 0 1 GGAF O=C1C[C@@H](c2ccccc2)Cc2[nH]c(=O)c(S(=O)(=O)c3ccccc3)cc21 103276106 MJAGRLIEJNEITD-HNNXBMFYSA-N 379.437 3.120 0 1 GGAF COc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1Br 29390060 KAEXVEYODZVXCL-UHFFFAOYSA-N 390.281 3.486 0 1 GGAF Cc1ccc(-c2ncc(C(=O)N[C@H]3CCNC3=O)nc2-c2ccc(C)cc2)cc1 28900430 XDTLWHQQSHPGBF-SFHVURJKSA-N 386.455 3.046 0 1 GGAF CCOC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CCC2)CC1=O 28109645 ZQVXNRZJCUAGKU-UMCMBGNQSA-N 397.515 3.219 0 1 GGAF C[C@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C2CCC(F)(F)CC2)CC1 117374441 HIVSCMNNQFXGAK-ZDUSSCGKSA-N 391.462 3.345 0 1 GGAF CC(C)Nc1nc(-c2ccc(N3CCO[C@H](C)C3)cc2)cc2ncn(C)c(=O)c12 115623961 SOLIPRNUHYVKKW-OAHLLOKOSA-N 393.491 3.041 0 1 GGAF CCCN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 20492416 WLDVXGQQLZAQFT-WOJBJXKFSA-N 397.544 3.213 0 1 GGAF CC[C@H](CCc1ccc(C[C@@H]2C=C(C)[C@H](O)C[C@@H]2[C@@](C)(O)CO)cc1)OC 2356776152 QXGXFBVEVRIXIS-BFRACDOUSA-N 376.537 3.273 0 1 GGAF O=C(NCCO)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1 87613229 DFIKQTZUHIIMDU-UHFFFAOYSA-N 383.839 3.339 0 1 GGAF Cc1cccnc1C(=O)N1CCC(Oc2ncccc2C2CCOCC2)CC1 96168910 HDNMLTDURTYHKA-UHFFFAOYSA-N 381.476 3.363 0 1 GGAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc(-c2ccccc2)on1 95578021 JKLCGNDKCNBNMT-RBBKRZOGSA-N 388.471 3.172 0 1 GGAF CC(C)n1cnc2c(NCc3ccccc3N)nc(NCCC(C)(C)O)nc21 95601521 DDRXYGOUYIHOPA-UHFFFAOYSA-N 383.500 3.174 0 1 GGAF O=c1cc2n(-c3ccccc3)nc(-c3ccccc3)nc-2cc1N1CCOCC1 95573602 AHFVTJAKPUEHCY-UHFFFAOYSA-N 384.439 3.236 0 1 GGAF O=C(O)CCC/C=C\C[C@@H]1[C@H](/C=C/[C@@H](O)C2CCCCC2)[C@H]2O[C@H]1[C@@H]1O[C@@H]12 253636809 BLPTUHHFIMEDBU-AJINXDCASA-N 376.493 3.466 0 1 GGAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 299884094 SMLVJMLNNXNRJB-XHBKTUGNSA-N 375.856 3.091 0 1 GGAF O=C(O)CCC/C=C/C[C@@H]1[C@H]2CC[C@@H](O2)[C@H]1CNC(=O)NCc1ccccc1 299804784 WKHILVPAOTUCOV-ZNIFTXGVSA-N 386.492 3.481 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]41)[C@@H](C2)C3=O 587441533 GJGPEGIIKBCSCD-VNSASSJJSA-N 385.460 3.458 0 1 GGAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(C)(C)C 587205367 QFNITRTZQFYEFG-AWEZNQCLSA-N 397.497 3.292 0 1 GGAF COC(=O)C(=O)[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355499 YBGFVYSBRYDCRH-AQOAWAETSA-N 398.386 3.171 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)nnn3C)N1 587759340 KHJVPXZKWYTWEM-XLFHBGCDSA-N 375.245 3.494 0 1 GGAF Clc1cc2nc(-c3nccnc3I)[nH]c2nc1Cl 587185902 AWMHNDYIZNYFAP-UHFFFAOYSA-N 391.987 3.326 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3c(c2)OCCN3C)N1 587774442 NPZWIAIEZJGARI-DYZYQPBXSA-N 392.272 3.435 0 1 GGAF CCc1cc(=O)oc2cc(O[C@H](C)c3ccc4c(O)nc(O)nc4n3)ccc12 587563295 QXRCJOJUQMANLP-SNVBAGLBSA-N 379.372 3.245 0 1 GGAF CC(=O)c1ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c2c1 587182483 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GGAF CC1(C)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C(=O)N1 96258744 NEYXIMLZAVQCIU-UHFFFAOYSA-N 380.853 3.042 0 1 GGAF CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C 96272208 LHSSZZAGXBPDFN-NQIIRXRSSA-N 394.943 3.337 0 1 GGAF C[C@@H]1C(c2ccc3c(c2)NC(=O)CO3)=C(c2ccc(F)cc2)C(=O)N1C1CC1 96283367 OHUSXUGFNIRYCY-GFCCVEGCSA-N 378.403 3.461 0 1 GGAF OC[C@@H]1[C@@H](c2ccccc2)C2(CN(Cc3ccccn3)C2)N1CCC(F)(F)F 95664414 NQGRYLGTFKCODZ-RTBURBONSA-N 391.437 3.049 0 1 GGAF CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2ccccc2C(C)=O)ON1C 95592546 ZYXYIDCHDNKVPW-CVEARBPZSA-N 384.369 3.056 0 1 GGAF Cc1cccc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)n1 299850625 CJFPRBWRDWEOGW-IAGOWNOFSA-N 377.448 3.043 0 1 GGAF COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)[nH]c(=O)n2C 299821816 MKEBPQDPLSALJP-UHFFFAOYSA-N 380.448 3.118 0 1 GGAF Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CN[C@H](C(=O)O)[C@@H]41)-c1ccccc1C2=O 587096384 JIYORLFRJOZVJA-IPTDYSPRSA-N 384.435 3.457 0 1 GGAF CC(C)(C)OC(=O)N(Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)C[C@@H]1CCCO1 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O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCc3cc(F)c(F)c(F)c32)N1 963232515 OFNVQRBPKYEJLH-KKSFZXQISA-N 384.357 3.441 0 1 GGAF CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(C(=O)c3ccccc3)n2c1 585783 LWCLVEZICPCWEE-XMHGGMMESA-N 396.450 3.325 0 1 GGAF CC(C)OP(=O)(COCCn1cnc2c(Cl)nc(N)nc21)OC(C)C 5963079 VPODKOINXYQOJB-UHFFFAOYSA-N 391.796 3.079 0 1 GGAF CSc1ccccc1OCc1cc(C(=O)N[C@@H](C)CCn2cccn2)no1 12591185 KUVFLFQLKMGJNV-AWEZNQCLSA-N 386.477 3.381 0 3 GGAF CCN1C(NCCc2cccs2)=N[C@@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C 15937382 QECMDZIKRVPCPT-LZQZEXGQSA-N 385.533 3.491 0 3 GGAF C[C@]12CC[C@@H]3[C@@H](CCC4=Cc5nn(S(C)(=O)=O)cc5C[C@@]43C)[C@H]1CC[C@@H]2O 169316543 FREWIGFIXSUUMY-HWMQIADMSA-N 390.549 3.234 0 1 GGAF COc1cccc(-c2cc(N[C@@H](C)c3cccc(S(N)(=O)=O)c3)nc(C)n2)c1 205824808 IZWKFKFJLHZBDJ-ZDUSSCGKSA-N 398.488 3.281 0 1 GGAF COc1ccc(C(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)cc1 4327947 YSJLITRFRAQSIT-UHFFFAOYSA-N 377.429 3.170 0 3 GGAF CC(C)C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](COC(C)(C)C)C(=O)N21 1656498 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COc1ccc2c(c1)C[C@@H](C(=O)O)N2C(=O)[C@@H](C)CSC(=O)c1ccccc1 27319278 OTMYNJIFQALLAX-UGSOOPFHSA-N 399.468 3.247 0 1 GGAF COc1cccc(NC(=O)N[C@@H]2C[C@@H](c3nc(-c4ccccc4)no3)N(C)C2)c1 2356300996 PZESUXDSGZTRDM-AEFFLSMTSA-N 393.447 3.312 0 1 GGAF O=C(NC(=O)c1ccccc1F)Nc1cccc([C@H]2CN3CCSC3=N2)c1 29390506 ORMJLVNTDZMPTR-MRXNPFEDSA-N 384.436 3.247 0 1 GGAF CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)N(C)c1ccc(Cl)cc1F 28637734 KKVCXFAANICNJV-OAHLLOKOSA-N 375.849 3.287 0 1 GGAF COc1cccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)c1 28825547 BAPVXGFWMGYCOI-GOSISDBHSA-N 384.432 3.419 0 1 GGAF CO[C@H]1c2c[nH]c3ccc(O)c(c23)C(c2c[nH]c3ccc(O)cc23)=N[C@H]1C(=O)O 2356790172 FGGNCVCFOXYMKQ-UXHICEINSA-N 391.383 3.052 0 1 GGAF O=C(Nc1ccccc1)[C@@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2=CCCC2)nn1 2356827260 HOVHQBASUQIYSJ-DFQSSKMNSA-N 377.492 3.195 0 1 GGAF Cc1ccc(N2CCc3ncnc(NCc4ccc5c(c4)OCO5)c3C2)nc1 35077833 OBPXACGGOMKVLV-UHFFFAOYSA-N 375.432 3.084 0 1 GGAF COC(=O)Nc1cc(C(=O)Nc2ccc(CN)cc2)cc2ccc(C(=N)N)cc12 38558271 CFKUGRLLZVUDLX-UHFFFAOYSA-N 391.431 3.013 0 1 GGAF O=C(NN1C(=O)CCS[C@H]1c1ccccc1C(F)(F)F)c1ccncc1 84616610 QRKKMJDKKIBVDK-INIZCTEOSA-N 381.379 3.410 0 1 GGAF COCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc(C)c1 82147194 MEATVDYJZFHFOO-UHFFFAOYSA-N 380.448 3.342 0 1 GGAF CC(C)(C)NC(=O)[C@@]1(CCc2ccccc2)OC(=O)[C@@H](Cc2ccccc2)C1=O 49850675 SEXMJXDOLDPQNT-CYFREDJKSA-N 393.483 3.258 0 1 GGAF C[C@@H](Cc1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1 653746704 QJBLCHBIHYCOJP-LBPRGKRZSA-N 381.823 3.222 0 1 GGAF C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc2c(O)nc(O)nc2n1 587562531 DTYICKAGKOACKQ-SNVBAGLBSA-N 391.383 3.171 0 1 GGAF COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587800076 ZVVZXQWJRJNQLT-NIVTXAMTSA-N 391.240 3.327 0 1 GGAF CCOc1cc2oc(=O)c(-c3nc4cnncc4[nH]3)cc2cc1Br 586999466 BLZLFIYWECVHDG-UHFFFAOYSA-N 387.193 3.288 0 1 GGAF COC(=O)c1cccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c12 587112949 WXFLQBBWHHTXPZ-UHFFFAOYSA-N 377.322 3.298 0 1 GGAF COc1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1OC 587197276 NKXNTJPZTDZRHN-CYBMUJFWSA-N 391.468 3.496 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2ccc(=O)n3C)N1 587770791 QXLNDDDQSMNIPE-WLRWDXFRSA-N 391.284 3.401 0 1 GGAF CN1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CS1(=O)=O 587530187 DBKNFGRABNADDH-NRFANRHFSA-N 383.469 3.206 0 1 GGAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 586959057 NVCFPLIANZDOKZ-OAHLLOKOSA-N 385.367 3.051 0 1 GGAF CN(C)S(=O)(=O)c1ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2c1 587095591 LZGLNGTVMIRWDX-UHFFFAOYSA-N 384.383 3.081 0 1 GGAF O=C(O)CC[C@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589771 QQPTVAHJLGQPMD-GHTZIAJQSA-N 379.368 3.442 0 1 GGAF CN1CCN(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 587347937 VUXFRWWRRTUMQS-JTHBVZDNSA-N 398.478 3.286 0 1 GGAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccccn1)C1C[C@@H]2CC[C@H](C1)N2 963614672 YJWMJVQGFMKNHO-NGSQWQFNSA-N 393.531 3.407 0 1 GGAF COc1ccc([C@]2(C[C@H]3CCCC[C@H]3C(=O)O)c3c(cnn3C)CCN2C)cc1 963955716 RVEZNYGOYZQPTJ-AYPBNUJASA-N 397.519 3.441 0 1 GGAF COc1ccccc1C[C@H]1N2CCC(CC2)[C@@]12NCCc1c2c(C(C)C)nn1C 962914232 DOFYEIYPSXHCBF-ZJSXRUAMSA-N 394.563 3.230 0 1 GGAF CN1[C@H]2COC[C@H]1CC(OC(=O)c1cn(CC(F)F)c3ccc(F)cc13)C2 1772576008 MRGCEPXIEZRIFH-CHWSQXEVSA-N 382.382 3.064 0 1 GGAF Nc1ccccc1NC(=O)c1ccc(CCn2cc(-c3cccnc3)nn2)cc1 1772594387 YWSALSKBBBBCFM-UHFFFAOYSA-N 384.443 3.417 0 1 GGAF COc1ccc2c(c1)[C@@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)CCC2 12472465 DTWWTKLBSGYWNV-LBPRGKRZSA-N 388.700 3.294 0 3 GGAF CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2Cl)N(C(N)=O)C(=O)N1 13820452 XCKMRLIWGNQJMU-CYBMUJFWSA-N 386.235 3.364 0 1 GGAF COc1ccccc1[C@@H]1CN(CC(=O)NCCOC(C)C)Cc2ccccc2O1 15005820 XNFUSWZKCUPGRN-QFIPXVFZSA-N 398.503 3.172 0 1 GGAF COc1ccccc1N1CCN(C(=O)/C=C/C=C/c2ccc3c(c2)OCO3)CC1 169349374 YJMIFRFZGOUBRN-VDESZNBCSA-N 392.455 3.342 0 1 GGAF O=c1nc(C(F)(F)F)ccn1C[C@@H]1C[N@]1Cc1cc2ccccc2nc1Cl 1857742861 SSSKQXYXMURXBW-SRGMZFCMSA-N 394.784 3.348 0 1 GGAF O=C(CCC(=O)N1C[C@@H]2CCCN2c2ccccc21)NCc1ccc(F)cc1 6914767 OREDDAJDIPFBOC-SFHVURJKSA-N 381.451 3.238 0 1 GGAF COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N(C)Cc1ccco1 7005323 DTOUUGROHJPAEV-UHFFFAOYSA-N 376.434 3.381 0 1 GGAF O=c1[nH]c(NCc2ccc(Cl)c(Cl)c2)nc2ncn(CCCCCO)c12 28350440 ACKDITWJZRHUBF-UHFFFAOYSA-N 396.278 3.201 0 1 GGAF CC=C1CN2[C@H]3C[C@@]45C(=Nc6c(OC)cc(OC)c(OC)c64)OC[C@H]3[C@H]1C[C@@H]25 2356605022 OYIKZKUMGCIROX-JVOGCXDUSA-N 382.460 3.063 0 1 GGAF O=C(NCN1CCC(c2cccc[n+]2[O-])CC1)c1cc(Cl)cc(Cl)c1 38149983 QFZNWAQMGYZBOO-UHFFFAOYSA-N 380.275 3.194 0 1 GGAF COc1ccc(Br)c(CCN(C)C[C@@H](C)O)c1Br 13407399 FRNQKTWFKZWERX-SECBINFHSA-N 381.108 3.075 0 1 GGAF biogenic Cc1ccc(-c2nc3nc(O)nc(O)c3cc2C2C(=O)CC(C)(C)CC2=O)cc1 587560924 CDHKGYFRQCIJOU-UHFFFAOYSA-N 391.427 3.453 0 1 GGAF O=S(=O)(N[C@H](c1ccccc1)c1nc2cccnc2[nH]1)c1ccc(F)cc1 587171451 OOEHJGBZRFFGBO-QGZVFWFLSA-N 382.420 3.165 0 1 GGAF CSc1ncc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(=N)[nH]1 587842786 GLAHKKMQMGKWTE-BCTVWOGZSA-N 397.317 3.310 0 1 GGAF CCOC(=O)Cn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578573 RHHVNXINBOAMPU-KNQAVFIVSA-N 393.395 3.460 0 1 GGAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc([C@@H]4C[C@H]4C(=O)OC)cc3)nc2c1 587785376 NTNAYYYKLLLHTQ-JKSUJKDBSA-N 384.457 3.300 0 1 GGAF CCOC(=O)[C@@]1(CC(=O)CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587800475 XPEQDRAJBUHWNO-QGHHPUGFSA-N 386.261 3.250 0 1 GGAF COC(=O)c1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cn1 586995768 OENDOBNDCANSNP-UHFFFAOYSA-N 375.226 3.162 0 1 GGAF CNC[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587753264 GYEORQBJKMSRBT-VOJFVSQTSA-N 379.273 3.291 0 1 GGAF COc1ccc([C@H]2NCCc3c(C(=O)O)cccc32)cc1CN1CCSCC1 963118323 BUPREJHUQZVKKQ-OAQYLSRUSA-N 398.528 3.177 0 1 GGAF Cc1c(O)ccc2c1[C@@](C)(CSc1ccccc1C(=O)O)N[C@H](C(=O)O)C2 963554200 TYGOHCZEYSBYRQ-VBKZILBWSA-N 387.457 3.005 0 1 GGAF COc1ccc(F)c(CN2CCC[C@]3(CCN(Cc4ccncc4)C3)C2=O)c1 12431488 VHMVWZXPMNJXMO-JOCHJYFZSA-N 383.467 3.244 0 1 GGAF COc1cccc(C2=Nn3c(nnc3-c3cc(OC)cc(OC)c3)SC2)c1 13828715 BJOSMKQKPCJFHY-UHFFFAOYSA-N 382.445 3.329 0 1 GGAF CN1c2ccccc2C(=O)[C@@H](C(=S)Nc2ccc(F)c(Cl)c2)S1(=O)=O 18099584 YEGCXUHHMCBDSM-HNNXBMFYSA-N 398.868 3.250 0 1 GGAF CNc1ccc(N2C[C@@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1F 169685202 YLNAICYSCWYRTL-SNVBAGLBSA-N 383.832 3.338 0 1 GGAF COc1ccc([C@@H](CNC(=O)c2cc(C)ccc2Cl)N2CCOCC2)cc1 207718935 AFUCTXHJTYWCAJ-HXUWFJFHSA-N 388.895 3.460 0 1 GGAF O=C(Nc1cccc(NC(=O)[C@H]2CCCN2)c1)c1ccccc1Br 1857610224 CQKLFLZAKLBGNH-MRXNPFEDSA-N 388.265 3.392 0 1 GGAF O=C(COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2)NCc1ccccn1 2464921 NUKDLVFRVXPFCP-UHFFFAOYSA-N 380.444 3.445 0 3 GGAF O=C(CCS(=O)(=O)Cc1ccccc1F)NCc1ccc(F)cc1Cl 3006222 RMURHRHUVIVHRQ-UHFFFAOYSA-N 387.835 3.240 0 1 GGAF CCCCCCNCc1nn2c(=O)c3cnn(-c4ccccc4)c3nc2s1 103219978 ZBRDBPHMHYYNPP-UHFFFAOYSA-N 382.493 3.160 0 1 GGAF CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1 101109933 XNPQHVAEYPMNED-GFCCVEGCSA-N 399.472 3.058 0 1 GGAF CC(=O)NCCC[C@H]1OC[C@@H](Oc2ccc(OCc3ccccc3)cc2)CO1 101381624 CJOWXYBQBCABKM-HZCBDIJESA-N 385.460 3.302 0 1 GGAF O=C(O)c1oc2cc(O)cc(O)c2c(=O)c1-c1cccc(Br)c1 28569014 KUSCVTBNHGRQJJ-UHFFFAOYSA-N 377.146 3.332 0 1 GGAF CN(CCOc1ccc(C(F)(F)F)cc1C(=O)c1cccs1)CC(=O)O 28958309 JMKZOPKBVHSQGJ-UHFFFAOYSA-N 387.379 3.393 0 1 GGAF Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccccc2)c1C 26178880 KUIYVKNCDZSGKO-UHFFFAOYSA-N 377.447 3.406 0 1 GGAF CCN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)N=C1N2)C1CCCCC1 26851081 LQTCEWMRBGMMNY-UHFFFAOYSA-N 398.507 3.151 0 1 GGAF COc1c2c(cc3c1[C@H](CC1=C[C](N)c4ccccc4N1C)N(C)CC3)OCO2 2356834437 WIHKHQWRTCQDOH-IBGZPJMESA-N 392.479 3.216 0 1 GGAF CN(C)[C@@H]1CC(C)(C)[C@@H]2C[C@@](C)(O)CC[C@]21CCC(=O)NCc1cccnc1 2356864363 VTYIXLGAAUFMKH-JFSTXAPLSA-N 387.568 3.376 0 1 GGAF O=C(C[C@@H]1CNC(=O)c2cc(-c3cccc(Cl)c3)cn21)NCc1ccco1 68204259 PESUPVJYOACSIR-MRXNPFEDSA-N 383.835 3.393 0 1 GGAF Cc1nn(-c2ccc(C(N)=O)c(NC3CCOCC3)c2)c2c1C(=O)CC(C)(C)C2 36479522 PYLJGSQMJMXGLS-UHFFFAOYSA-N 396.491 3.026 0 1 GGAF CCCCOCCCN1CC(=O)N2[C@@H](C)c3[nH]c4ccccc4c3C[C@@H]2C1=O 2102617 CYRGZSURHJNQJD-HNAYVOBHSA-N 383.492 3.031 0 1 GGAF biogenic CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)O 34717753 BAWRNEQKWMKMMK-IBGZPJMESA-N 382.416 3.309 0 1 GGAF Cc1ccc(-n2nc3c4cc(CCc5cccnc5)ccc4nc(O)n3c2=O)cc1 43208723 BWWQXKSOWUMHAQ-UHFFFAOYSA-N 397.438 3.228 0 1 GGAF CN1CCN(c2nccc3[nH]c(-c4cccc(OC(F)(F)F)c4)nc23)CC1 82082221 UAMQKROLXYWLNZ-UHFFFAOYSA-N 377.370 3.275 0 1 GGAF COc1cc(OC)c(CNc2ncnc3c2ncn3[C@H]2CCCCO2)c(OC)c1 40915610 AXLZKWAXZFFKGM-QGZVFWFLSA-N 399.451 3.163 0 1 GGAF C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)OCc2ccccc2-c2ccccc2C1=O 95678720 ICBPOKCISFMJKJ-IEGUWTFLSA-N 396.531 3.273 0 1 GGAF C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1F 621433915 BIBOPFSEARXLEA-QWQRMKEZSA-N 382.501 3.165 0 1 GGAF O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3)O2)n1 653714983 OLIHKSYTBDCPSM-HSMRXVHUSA-N 375.446 3.137 0 1 GGAF CCOC(=O)CCOCCCOCCc1nc2cc(Cl)c(F)c(F)c2[nH]1 587566362 IVLSLHJEWHEFNT-UHFFFAOYSA-N 390.814 3.414 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)cccc1N1CCOCC1)[C@@H](C2)C3=O 587423008 HSAFBCIMFQZOMC-OYHNWAKOSA-N 383.419 3.334 0 1 GGAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc2nncn12 587585715 HEOSPSQWJCEZNE-DYESRHJHSA-N 388.383 3.015 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(F)cc12 587727850 DPZQLZJUCSGJJD-QPFGOUBPSA-N 379.204 3.457 0 1 GGAF CCCS(=O)(=O)N1CCC(c2nc3cc(Cl)c(Cl)nc3[nH]2)CC1 586952838 OOEAZJJOSKESQU-UHFFFAOYSA-N 377.297 3.184 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc(O)cc1 587606347 DPQDUJGCDDGQAW-DYESRHJHSA-N 378.336 3.040 0 1 GGAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2cccnc2)[C@@H]1c1ccc(F)cc1 587337676 MGXVINYTMVTYNS-WIYYLYMNSA-N 379.343 3.265 0 1 GGAF CCOC(=O)C(C)(C)[C@@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962709611 QWRCLPREDCQYRB-DYVFJYSZSA-N 391.361 3.248 0 1 GGAF C[C@@]1(c2cccc(O)c2F)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962658535 DAMOCTFDUAWYDH-FCHUYYIVSA-N 380.419 3.442 0 1 GGAF CC(=O)c1cc([C@H]2c3ccc4cccnc4c3NS(=O)(=O)N2C)ccc1F 1772587717 RIKKZWAOTYEKMV-IBGZPJMESA-N 385.420 3.268 0 1 GGAF O=C(NCCO)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772617863 WWHMHPQMGZHUQY-UHFFFAOYSA-N 377.322 3.163 0 1 GGAF CN=[S@@](C)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 1772576778 RVAMDEYUWMTDOW-MHZLTWQESA-N 381.461 3.065 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OC3CCOCC3)c2cn1)c1ccccc1 1772590694 SACKPIJUIAZNPA-CYBMUJFWSA-N 381.436 3.398 0 1 GGAF COc1ccc(CCNC(=O)CCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1OC 13140109 AZQZSSIWTWBXEQ-RYRKJORJSA-N 390.524 3.084 0 1 GGAF COc1ccc(C2=C(Nc3cc(Cl)c(O)c(Cl)c3)C(=O)NC2=O)cc1 14946013 PLKSEXHMPNQHEY-UHFFFAOYSA-N 379.199 3.187 0 1 GGAF CNC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1 205650739 TWPGFTDBEOZSBE-UHFFFAOYSA-N 381.827 3.115 0 1 GGAF COC(=O)CCCCCS[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C1CCCCC1 3798399 QNKCYDKEIICCMC-AGUCSVEYSA-N 398.565 3.269 0 1 GGAF investigational O=C(O)CCC=CCC=CC[C@@H](O)C=CC=CC=C[C@H](O)CC=CCCO 2356340552 RXZULUQRGUAOLG-RTWAWAEBSA-N 376.493 3.463 0 1 GGAF O=C(NCCOCCO)c1c(-c2ccccc2Cl)noc1-c1ccsc1 2482114 ZSKQNHWXZHIRSV-UHFFFAOYSA-N 392.864 3.462 0 1 GGAF CCOc1ccc2c(c1)=C(c1ccc(C)cc1)NN=C(c1ccc(OC)cc1)N=2 6601935 WHNXOBOZPKHYKX-UHFFFAOYSA-N 385.467 3.143 0 3 GGAF O=C(CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21)NCc1ccccc1F 6796435 XFIUKVFGYNGDOJ-HXUWFJFHSA-N 391.402 3.004 0 3 GGAF O=C(c1ccccc1F)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26009879 FFYLEJHZFBJVBX-KRWDZBQOSA-N 380.206 3.495 0 1 GGAF CC[C@H](C)[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)Nc1nccs1 103229381 MILCULQRTIGDJF-YOEHRIQHSA-N 397.504 3.171 0 1 GGAF CS(=O)(=O)Cc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114336432 CWXOVADRAJYZRV-FQEVSTJZSA-N 398.532 3.184 0 1 GGAF CCCCCCC(=O)CCCCCCC=CCC[C@@H](O)[C@@](N)(CO)C(=O)O 2356587935 CYGFHEVFZXDUGH-CTNGQTDRSA-N 385.545 3.338 0 1 GGAF CN1[C@H](C(=O)NCc2ccco2)C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]21 36378284 RXEOZLZBPPKMPL-ORYQWCPZSA-N 386.455 3.474 0 3 GGAF CCCCCN1C(=O)[C@](CC(N)=O)(c2ccc3c(c2)OCO3)c2ccccc21 71332087 NMASKDHVUOOYAM-JOCHJYFZSA-N 380.444 3.114 0 1 GGAF COC(=O)C1=C(/C=C(\C(=O)OC)C(C)C)[C@@H]2C[C@H]3C(C)(C)CCC[C@]13C(=O)O2 49792621 XAZVRXOFQQFDSA-KIBPSTJISA-N 390.476 3.353 0 1 GGAF COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc(OC)c(OC)cc32)c1 45495668 FSBPWPXTNUTYCE-LJQANCHMSA-N 383.400 3.089 0 1 GGAF CN1C(=O)c2ccc(Nc3ccc(I)cc3)cc2C1=O 45384412 AIZUHTVHAMBNDQ-UHFFFAOYSA-N 378.169 3.261 0 1 GGAF Cc1nonc1C(=O)N[C@@H]1CCCc2c1cnn2-c1cccc(C(F)(F)F)c1 45320754 VICSERLKYKGJRJ-CQSZACIVSA-N 391.353 3.390 0 1 GGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CN(CCC)C(=O)C2CCC2)cc1 95667937 QUGCYQAWIPFCCA-WJZBITPESA-N 398.547 3.434 0 1 GGAF CCC[C@H](O)CO[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1 96168553 WOLQAMHBUVHCOD-OFQRWUPVSA-N 388.386 3.146 0 1 GGAF O=C(O)CN(Cc1ccc(C(=O)O)c(C(=O)O)c1)c1ccc2ccccc2c1 473086417 HWFIKVFTSMGSPB-UHFFFAOYSA-N 379.368 3.327 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c(C(=O)OCC)nn(C)c31)CC2=O 587475280 LDMCEMRLCXJQEW-JOCHJYFZSA-N 398.459 3.452 0 1 GGAF N=C(N)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 587000653 SDJNHSGZDOAOIV-UHFFFAOYSA-N 399.204 3.088 0 1 GGAF C=CN1CC[C@H]([C@@]2(c3cnccn3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587513373 JKDNRNWDJHNZFX-FDDCHVKYSA-N 389.455 3.208 0 1 GGAF COC(=O)c1ccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc1 587867805 BTJXFSDJCFGRJO-UHFFFAOYSA-N 378.310 3.143 0 1 GGAF COc1ccc(OC)c(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1OC 587927329 PMJJUEHCPQJOFG-UHFFFAOYSA-N 394.431 3.011 0 1 GGAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(C(=O)O)c(F)cc3[nH]2)C(F)(F)C1 587132275 OZLFALZIWJXXQK-VIFPVBQESA-N 385.342 3.370 0 1 GGAF CCOC(=O)CC[C@]1(c2cccc(C=O)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439778 CZHHRXNVTJHEAI-WZONZLPQSA-N 394.423 3.494 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)nc2)N1 587850414 PXPKWAGUSGCWSR-JDNHERCYSA-N 399.285 3.010 0 1 GGAF Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CC(C)C 13609667 VYQIXYPMVDCINA-FQEVSTJZSA-N 395.478 3.481 0 1 GGAF COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4OC)C3)c2cc1OC 14956414 APOQAWXVAQVYAS-CQSZACIVSA-N 381.432 3.313 0 1 GGAF CN1C(=O)NC(=O)/C(=C2\C[C@H](c3cccc(O)c3)Sc3ccccc3N2)C1=O 15670694 ILIXYTNKXPZNMI-DXFLKOCDSA-N 395.440 3.004 0 1 GGAF O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C\COc2cccc(Cl)c21 169313215 NSAHPDSQIRNDGO-AIMAZDRCSA-N 387.819 3.093 0 1 GGAF O=C(Nc1ccccc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c1 169303520 MNPKRGHVMCTCKN-HETMTNPWSA-N 384.435 3.496 0 1 GGAF Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccccc3Cl)n2)n[nH]1 169312511 TZAAKMNSRFRBJE-UHFFFAOYSA-N 398.902 3.401 0 1 GGAF FC(F)(F)CN1CCC[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1 168590553 SNVFGNBQSYUPIG-LBPRGKRZSA-N 376.386 3.459 0 1 GGAF COc1nc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2 208119727 HVVDVXJCOGZSOS-UHFFFAOYSA-N 386.459 3.082 0 1 GGAF COc1cc(Nc2ncc3c(n2)N2CCC[C@@H]2CO3)ccc1-n1cnc(C)c1 1857613224 IFZRGDQHASNZET-OAHLLOKOSA-N 378.436 3.084 0 1 GGAF CCc1c(-c2ccc(N3C[C@@H]4CCN(C)[C@@H]4C3)cc2)nc(O)c2c(O)nsc12 1857618122 HMGSTTSMILLVQX-XJKSGUPXSA-N 396.516 3.472 0 1 GGAF O=C(CCn1nnc2ccccc21)Nc1nnc(Cc2ccc(F)cc2)s1 897685 JPCMCRZQAWNRTH-UHFFFAOYSA-N 382.424 3.042 0 3 GGAF COc1cc(/C=C2\CCn3c2nc2ccccc2c3=O)cc(OC)c1OC(C)=O 3842744 AXEBTZCLYKIXII-XNTDXEJSSA-N 392.411 3.283 0 1 GGAF C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1 4669992 NUTRZZDKYNDEFH-KPFFTGBYSA-N 380.492 3.099 0 1 GGAF Cc1cccc(C)c1NC(=O)NC1(C(=O)N2CCN3CCC[C@@H]3C2)CCCCC1 4982214 PGWKOKLUPUBLHE-LJQANCHMSA-N 398.551 3.434 0 3 GGAF COc1ccc(OC[C@H](N)Cc2ccccc2)c2cc(-c3nc(C)no3)n(C)c12 103224942 YEMSDQULWPGXNB-MRXNPFEDSA-N 392.459 3.494 0 1 GGAF O=C1Nc2cc(Br)c([N+](=O)[O-])cc2/C1=C1/Nc2ccccc2C1=O 100374914 MHUIZCQFERCVDT-YPKPFQOOSA-N 386.161 3.329 0 1 GGAF COc1ccccc1C(=O)NC[C@@H]1Cn2cc(-c3ccc(C)cc3)nc2CO1 2356299287 DVUISDNRLXCBIQ-QGZVFWFLSA-N 377.444 3.196 0 1 GGAF CNc1nc2sc(-c3cccc([C@@H](C)NC(C)=O)c3)nc2c2c1ncn2C 66251092 APRXYRORERCWAV-SNVBAGLBSA-N 380.477 3.484 0 1 GGAF CCN1C(=O)C(c2ccccc2)(c2ccccc2)C[C@@H]1CCN1CCOCC1 71927974 LAWAJYDWQZESMM-QFIPXVFZSA-N 378.516 3.316 0 3 GGAF in-vitro O=S(=O)(NCCCCN1CCc2ccccc2C1)c1ccc2ncccc2c1 73157672 CDHGKXYCTQRNET-UHFFFAOYSA-N 395.528 3.352 0 1 GGAF COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C(=O)[C@](C)(O)[C@@H]2C)cc1OC 14641160 JSKWJJGGQAJPOM-HBMPAYLNSA-N 386.444 3.436 0 1 GGAF biogenic c1ccc(Cn2ccc3c(OC4CCN(Cc5cc[nH]n5)CC4)ncnc32)cc1 84602374 OSJJIKYRJDAQIS-UHFFFAOYSA-N 388.475 3.246 0 1 GGAF O=c1cc(NCCCNCc2cccc3c2OC(F)(F)O3)[nH]c2ccccc12 45230823 XAIMFCQAKAWBIN-UHFFFAOYSA-N 387.386 3.441 0 1 GGAF O=C(O)c1cn(Cc2ccc(-c3cn[nH]c3)cc2F)c2cccc(F)c2c1=O 45350382 SOIBJLCDVFEKES-UHFFFAOYSA-N 381.338 3.416 0 1 GGAF COc1cc2cc(NC(C)=O)c(=O)oc2cc1OCC(=O)Nc1ccc(C)cc1 84726707 VCZAREHHUDUUGQ-UHFFFAOYSA-N 396.399 3.086 0 1 GGAF CCCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1 95893666 AQFYNPWOHOJEDY-IRFCIJBXSA-N 379.460 3.194 0 1 GGAF Fc1ccc2nnc(-c3ccc4cccc(O[C@H]5CCNC[C@H]5F)c4n3)n2c1 96175022 CTVPSIXLKPKNTQ-ZBFHGGJFSA-N 381.386 3.162 0 1 GGAF CN1C[C@H](C(=O)OCCO)C[C@@H]2c3cccc4c3c(cn4C3CCCC3)C[C@H]21 253700128 UGSVTHLCYAINLK-OZOXKJRCSA-N 382.504 3.252 0 1 GGAF Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1F)N(c1cc(C)c(=O)n(C)c1)C2=O 261192684 ZSGFXTRWCMGRPZ-KRWDZBQOSA-N 386.814 3.268 0 1 GGAF CCN(CC)c1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 261183524 WRAKRKHWBCRGHG-OXJNMPFZSA-N 397.523 3.178 0 1 GGAF CC(C)CNC(=O)C(C)(C)n1cc(NC(=O)c2ccc3ccccc3n2)cn1 618008056 NCRSSYQEVIHMSB-UHFFFAOYSA-N 379.464 3.191 0 1 GGAF O=C(O)[C@H]1CC[C@H](CNc2nc(-c3ccccc3)cc(N3CCOCC3)n2)CC1 299821101 JEALVNJTPRAPPK-SAABIXHNSA-N 396.491 3.283 0 1 GGAF CCOC(=O)C[C@]1(CCOC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794208 OTRDXYQGXXWPFM-GTNSWQLSSA-N 388.277 3.307 0 1 GGAF CCOc1ccc(-c2nn(C(=O)N(C)C)c(=O)c3ccccc23)cc1OCC 587668813 FLWUIEPXGMKTKM-UHFFFAOYSA-N 381.432 3.391 0 1 GGAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](O)CC(C)C)[nH]c3c2)cc1 586900311 DMPBBULVUJTKHF-SFHVURJKSA-N 389.477 3.452 0 1 GGAF Cc1c(Cl)ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c12 586955939 WORFQSPBLQKMSB-UHFFFAOYSA-N 390.896 3.092 0 1 GGAF CCOC(=O)c1n[nH]cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587795724 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COC(=O)[C@H]1[C@@H](c2ccc([123I])cc2)C[C@@H]2CC[C@H]1N2C 100532457 SIIICDNNMDMWCI-LTFFGQHJSA-N 381.247 3.031 0 1 GGAF in-man NC(=O)c1ccc2[nH]c(-c3ccc([C@H](O)c4ccc5c(c4)OCO5)cc3)nc2c1 116015601 QDJIHRMKNXHUES-FQEVSTJZSA-N 387.395 3.139 0 1 GGAF O=C(O)c1ccc(-c2[nH]nc3c2Cc2cc(CN4CCC(O)CC4)ccc2-3)cc1 28714070 BTAXBQBKBCHPOQ-UHFFFAOYSA-N 389.455 3.303 0 1 GGAF CC(=O)Nc1ccc(-c2nc(-c3c(C)ncc4c3CCNC4)no2)c(Cl)c1 20999532 BQBFGJBNLCRIQL-UHFFFAOYSA-N 383.839 3.365 0 1 GGAF C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)no1 82157107 KJXIHTKIAKOBON-QGZVFWFLSA-N 396.827 3.211 0 1 GGAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Cn2cnc3ccccc32)cc1 199943635 MAZCYKNYBJOKPW-UHFFFAOYSA-N 395.488 3.236 0 1 GGAF CN(C)c1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)c1 96175144 JZUYNZACKMSHHB-KUHUBIRLSA-N 395.528 3.426 0 1 GGAF CC(=O)OC[C@@]12CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]1C[C@@H](C1=CC(=O)O[C@H]1O)O2 238745939 NOFRYDHCCCFKCU-CDNHLEBHSA-N 392.492 3.121 0 1 GGAF O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc2cc3n(c2c1)CCCNC3=O 147831158 DHPHMJOQAZUVNU-UHFFFAOYSA-N 385.427 3.417 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ncc(Br)nc14)[C@@H](C2)C3=O 587416568 BCPLNNTXKPCISU-XXFAHNHDSA-N 386.205 3.218 0 1 GGAF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cnncc2[nH]1 587141498 RIELORWYEWJXCU-CYBMUJFWSA-N 397.863 3.211 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2C(=O)O)N1 587772754 WDMZFUGHNPDHLZ-VVVCHXIZSA-N 379.229 3.479 0 1 GGAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCCO3 586973975 SNZZVIZDJMRPTP-QGZVFWFLSA-N 383.473 3.445 0 1 GGAF Oc1c(Br)ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 587119493 YGFDXIDMVQWRQD-UHFFFAOYSA-N 375.148 3.489 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C(=O)O)=NN(CC)c2ccccc21 587489575 UVLZGZVVTZZVNN-JOCHJYFZSA-N 394.427 3.486 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2=CC=CN3C=CN[C@H]23)N1 587790910 KDGUQADWEKDILR-VQTKTOELSA-N 376.273 3.494 0 1 GGAF CCOC(=O)c1cnn(-c2ncnc3cc(-c4ccc(OC)cc4)sc23)c1N 958064310 DIJDADHONRORLK-UHFFFAOYSA-N 395.444 3.312 0 1 GGAF CCOC(=O)c1cc([C@@]2(C(C)C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c[nH]1 963026084 NFOSIGOWWPSREA-JLCFBVMHSA-N 381.476 3.144 0 1 GGAF CNC(=O)c1cccc(Nc2ncnc(N3CCc4ccc(Cl)cc4C3)n2)c1 1772628237 SSHZOUHXRRGPGH-UHFFFAOYSA-N 394.866 3.191 0 1 GGAF Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(COc2c(F)cccc2F)on1 12298389 DTPYAHRNUUIVBP-SNVBAGLBSA-N 376.363 3.065 0 3 GGAF CCC(=O)N1CCC[C@@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201104755 WEBSKLAXHVKIKB-MYRUOYEDSA-N 398.547 3.482 0 1 GGAF COc1cccc(C2=N[C@](C)(CC(=O)N3CCc4ccccc4C3)ON2C)c1 205217887 XGOMKSKCMLFJSG-QFIPXVFZSA-N 379.460 3.010 0 3 GGAF CN1C(=O)C(NCc2cccc(Cl)c2)=C(c2cn(C)c3ccccc23)C1=O 1857558780 BAEYGPLLOFMESU-UHFFFAOYSA-N 379.847 3.331 0 1 GGAF N#CN1CCC[C@](F)(C(=O)Nc2cn(-c3cccc(C(F)(F)F)c3)cn2)C1 1857569495 OAOVSXRHXJDZDX-MRXNPFEDSA-N 381.333 3.115 0 1 GGAF COc1cc(CCn2cnc3ccc(-c4c[nH]nc4C)cc3c2=O)cc(OC)c1 1857598439 DUUJSMLVHYPUNZ-UHFFFAOYSA-N 390.443 3.355 0 1 GGAF Oc1c2c(nn1-c1ccc(Cl)cc1)[C@@H]1CN(Cc3ccncc3)CC[C@H]1N=C2 58601989 LDXAQEAQNGTFAB-RTBURBONSA-N 393.878 3.417 0 1 GGAF O[C@H]1CC[C@@H](Nc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1 101471029 YOXRHHNVUJXJFA-AULYBMBSSA-N 393.369 3.430 0 1 GGAF CC(C)NC(=O)Oc1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)cc1 66252049 DLDSJXMOIAHUQV-UHFFFAOYSA-N 395.503 3.070 0 1 GGAF O=C1c2cc3c(cc2OCN1CCc1ccccc1Cl)C(=O)N1CCC[C@@H]1O3 72173356 HXCMAFWMROYDLN-IBGZPJMESA-N 398.846 3.329 0 1 GGAF CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)c(F)cc(Cl)c21 45260162 IPYKRMAOPWCRRH-UHFFFAOYSA-N 387.735 3.130 0 1 GGAF CCC(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)c1ccccc1)C2 95574869 OWNZTXHPNQGKFG-UHFFFAOYSA-N 388.427 3.342 0 1 GGAF O=C(NCC(F)(F)F)c1ccc(OCc2conc2-c2ccccn2)nc1 143094551 UZKYXZSNVTZQFC-UHFFFAOYSA-N 378.310 3.003 0 1 GGAF CCCCC[C@H](C)NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1 95592107 AWIYBPGNXYLDHQ-LBPRGKRZSA-N 379.482 3.011 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1nc[nH]n1 587591903 XITWJZGTFSKAAT-PGRDOPGGSA-N 385.379 3.416 0 1 GGAF Cc1cc(-c2nc3nc(Cl)c[nH]c-3n2)ccc1NS(=O)(=O)C(F)(F)F 587125823 SISAWCMRKKUYNQ-UHFFFAOYSA-N 391.762 3.195 0 1 GGAF CCOC(=O)Cc1c([C@@H](C)O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989747 QCSIZDIEYOZXEO-LLVKDONJSA-N 377.396 3.311 0 1 GGAF COC(=O)C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586236 JMQNOYSHZIDKAP-UGKGYDQZSA-N 391.379 3.207 0 1 GGAF COC(=O)c1cc2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc2cc1OC 587039451 FRFHFHJTXNNFNT-ZDUSSCGKSA-N 393.465 3.341 0 1 GGAF O=C(Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1)OCC(F)(F)F 587368465 KKOLCLFHLAEDQF-UHFFFAOYSA-N 380.282 3.214 0 1 GGAF O=S(=O)(c1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1)C(F)(F)F 586905035 XPLBMSZJYMXHSL-IUODEOHRSA-N 382.363 3.425 0 1 GGAF COC(=O)c1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 587197227 MIMUDSMMKFMNNX-CQSZACIVSA-N 389.452 3.266 0 1 GGAF CC(C)(C)c1[nH]cnc1[C@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962648824 XBJIDRSDHRWTIO-VGOFRKELSA-N 378.476 3.443 0 1 GGAF CCOC(=O)[C@@]1(c2cc(F)cc(Cl)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962923474 RABHEILLKMPQIP-LPHOPBHVSA-N 395.789 3.024 0 1 GGAF CN1C(=O)[C@@H](Cc2ccc(-c3ccncc3)cc2)NC(=O)C2=CCCC(Cl)=C21 1772589315 GWDFJWZKXGMEDI-LJQANCHMSA-N 393.874 3.419 0 1 GGAF NCCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 13534270 GEUKFRPGSOAJHW-NQIIRXRSSA-N 380.479 3.287 0 1 GGAF FC(F)(F)c1cccc(N2CCN(CCCN3C[C@H]4CCCCN4C3)CC2)c1 19332295 NHVXOKXLJAOMQN-HXUWFJFHSA-N 396.501 3.345 0 1 GGAF COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H]2CCCCO2)C(=O)O)cc1 3933779 PMVDOKGCDYKXLD-AZUAARDMSA-N 383.444 3.043 0 1 GGAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCC(C)(C)CO 4051933 MWFJZGSQBDIFLS-CTNGQTDRSA-N 396.487 3.312 0 1 GGAF COc1ccccc1N1CCN(CCOC(=O)C23C[C@@H]4CC2C[C@H](C4)C3)CC1 100840438 NBROEQHLZXKNTP-MDECGGOYSA-N 384.520 3.187 0 1 GGAF CCN(CCNC(=O)c1cc(Cl)c(N)cc1OC)Cc1ccc(F)cc1 28232276 JHXUDHSKHMCVLW-UHFFFAOYSA-N 379.863 3.322 0 1 GGAF CNCc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)cc(C)n1 26504804 RTAKIJWZUAZIKC-UHFFFAOYSA-N 381.407 3.264 0 1 GGAF COC(=O)[C@H](NC(=O)c1ccccc1)c1ccc(OC)c(Br)c1 34985745 RFXWLZAJBJPCND-OAHLLOKOSA-N 378.222 3.102 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@H](CN1CCC(O)(c3ccccc3)CC1)CC2 38192517 OEMZSJXPCJVMGB-SFHVURJKSA-N 395.499 3.433 0 1 GGAF CCOCC(=O)CCCCCCCNC(=O)c1cc(OC)c(OC)c(OC)c1 40828543 CSVAFUBHUOTMKC-UHFFFAOYSA-N 395.496 3.388 0 1 GGAF Cc1ccccc1[C@@H]1CCc2c(C(=O)N3CC(O)C3)cc3c(nc(C)n3C)c2O1 49089069 AZOUSMBVXDSXLP-FQEVSTJZSA-N 391.471 3.073 0 1 GGAF CS(=O)(=O)c1ccc(NN2C(=O)CS[C@@H]2c2ccc(Cl)cc2)cc1 84672281 SKLPCDNEGGEYIF-MRXNPFEDSA-N 382.894 3.345 0 1 GGAF CC(C)(C)OC(=O)N[C@H]1CCN(c2ccccc2/C=C2\SC(=O)NC2=O)C1 84668743 NLBKERHFPOFITH-OJNRTJSBSA-N 389.477 3.114 0 1 GGAF COc1ccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)[C@@H]3C)n2)cc1OC 141927194 FIVDUVRLHOHTPS-UKRRQHHQSA-N 393.443 3.075 0 1 GGAF CC(C)CC(=O)N1C[C@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)CC[C@H]2C1 96169500 FIADIBYFRWITEN-XJKSGUPXSA-N 384.398 3.443 0 1 GGAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)cc1 299874406 BITGMUPIVJGTLF-BUVFEPMLSA-N 395.503 3.243 0 1 GGAF O=C(c1c(O)ccc2cccnc12)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 473170804 PSWFZILNDVZSTQ-ULQDDVLXSA-N 375.428 3.408 0 1 GGAF CC(C)C(=O)Oc1ccc([C@H](CN)C(=O)Nc2ccc3cnccc3c2)cc1 653713160 KRIZBCVOCNFFBN-FQEVSTJZSA-N 377.444 3.477 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)N(C)C)[nH]2)N1 587788806 ADXKCMRMKBCJOT-FVMDXXJSSA-N 380.261 3.242 0 1 GGAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ncc[nH]c-4n3)c2)cc1 586931390 SIQOXBCENWNYRX-UHFFFAOYSA-N 379.445 3.105 0 1 GGAF C[C@]12CCC(=O)C[C@@]1(O)Cc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990680 HZKFCHYXHNHFKK-DNQXCXABSA-N 385.419 3.450 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(=O)(=O)O)cc1 587869749 NRADVDVPSMDONF-UHFFFAOYSA-N 399.350 3.208 0 1 GGAF CCS(=O)(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360909 QZJZHUQXOOZOKY-IEBWSBKVSA-N 378.421 3.084 0 1 GGAF CCOC(=O)[C@H](CC(C)=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598412 UOTJHSRREAKUFW-VPKVUBIPSA-N 398.411 3.271 0 1 GGAF COC(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1OC 586913967 XWFBROSYBVODQS-UHFFFAOYSA-N 382.416 3.160 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cnc(Cl)[nH]c-3n2)cc1 587043628 RXIYXLFBUDTYGL-CYBMUJFWSA-N 389.868 3.244 0 1 GGAF O=[S@](CCCc1nc2cnc(Cl)[nH]c-2n1)c1ccc(Br)cc1 586959792 MHEKKBGICNBJJE-JOCHJYFZSA-N 399.701 3.461 0 1 GGAF CC(=O)Oc1ccccc1[C@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962971044 SHNDHXVZROAPNU-KUHUBIRLSA-N 395.789 3.406 0 1 GGAF Nc1ccc(S(=O)(=O)N2CCC[C@@H]3CN4CCc5ccccc5[C@@H]4C[C@@H]32)cc1 13820225 FMNMOQZEMJROGO-WTNAPCKOSA-N 397.544 3.041 0 1 GGAF CC[C@H](O)[C@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 13975717 VFEDEOUBYBLDKN-HOTGVXAUSA-N 383.500 3.376 0 1 GGAF CN1[C@@H](c2ccc(C(F)(F)F)nc2)c2ccc3cccnc3c2NS1(=O)=O 201626904 GOVRHLOWTUXXTQ-INIZCTEOSA-N 394.378 3.340 0 1 GGAF CN1CCC(Nc2cc(Cl)nn3c(-c4ccc5n[nH]cc5c4)cnc23)CC1 1857586309 XJJBWKSFMIHVEL-UHFFFAOYSA-N 381.871 3.432 0 1 GGAF CC[C@H]1CCCCN1CCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 4104144 SJUBCWSKONYPMV-SFTDATJTSA-N 385.552 3.257 0 3 GGAF O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)NC1CCCCCC1 6739337 DEIFHCMBUHJXHF-UHFFFAOYSA-N 390.487 3.221 0 1 GGAF CS(=O)(=O)c1sc(-c2cc(F)nc(F)c2)c2c1[C@H](O)C(F)(F)CC2 1911576813 PMBOADLKYSYKKH-LBPRGKRZSA-N 381.372 3.107 0 1 GGAF COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCC2)[C@@H]1c1cccs1 9432552 QIKYKESVZGYHBG-MOPGFXCFSA-N 384.501 3.298 0 1 GGAF N[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1 55398733 JGFCNVHEEMBVJG-RTBURBONSA-N 391.943 3.245 0 1 GGAF CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)CO 27765586 KDTHGDDWZLKYMK-KITGQOOJSA-N 380.525 3.118 0 1 GGAF O=C(O)C[C@@H]1CCN(C(=O)Nc2ccccc2)C[C@H]1Cc1nc2cnccc2[nH]1 2356322312 OZGVTMYRCSWLJX-LSDHHAIUSA-N 393.447 3.145 0 1 GGAF COc1c(Cl)c2c3c(c1OC)-c1cc4c(cc1C[C@@H]3N(CO)CC2)OCO4 2356847400 IQEMBEGHYRBJRF-ZDUSSCGKSA-N 389.835 3.158 0 1 GGAF CC(C)c1ccc(S(=O)(=O)n2ccc3cc(CN4CCNCC4)ccc32)cc1 71295746 ZCLMNAOXIFZSNT-UHFFFAOYSA-N 397.544 3.407 0 1 GGAF COc1ccccc1-c1cccn([C@H](CN2CC[C@H](O)C2)c2ccccc2)c1=O 36190486 MGVFKHIJORWPIN-SIKLNZKXSA-N 390.483 3.180 0 1 GGAF COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 40575320 OTIFDGAFLVKAPS-GOSISDBHSA-N 399.487 3.391 0 1 GGAF C[C@@]1(O)CCC[C@@H]2c3c(cc4oc(CO)cc(=O)c4c3OC3CCCC3)O[C@@H]21 85594447 XDMDSQDGVQLSAB-YKAGIRRDSA-N 386.444 3.386 0 1 GGAF biogenic,in-vitro C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCCC 82197506 HIMRHJYGYMWQAI-HJCXWVMGSA-N 386.536 3.488 0 1 GGAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](O)[C@H](C)[C@@]2(C)CC/C(C)=C\C(=O)OC(CO)CO 238788379 SYTMXWLCUXDMOA-FCCCAYIZSA-N 394.552 3.379 0 1 GGAF Cc1cc(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)cn1CC1CCOCC1 95553878 ZMKXHVXMIBUHKG-UHFFFAOYSA-N 384.520 3.282 0 1 GGAF COc1cc2c(cc1O)[C@@H]1O[C@H](OC)c3c(ccc4c3OCO4)[C@H]1N(C)CC2 238741327 NRJVOXUCVMTVSZ-DYXWJJEUSA-N 385.416 3.075 0 1 GGAF endogenous,in-man CC1=N[C@]2(C[C@H]([C@H]3CCCOC3)Oc3ccc(Br)cc32)N=C1N 261149379 ONKRKKQEVGYQDK-UXEPBGEESA-N 378.270 3.011 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2cccnc2)no1 587868064 FRQWSYINYBLUGL-UHFFFAOYSA-N 388.309 3.407 0 1 GGAF COc1cc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ncn1 587776429 CKOLWIDVFRCJFU-BTDLBPIBSA-N 380.261 3.379 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCCC4)nc1OC)[C@@H](C2)C3=O 587443939 NEBVDWBYAYRHFF-KSFYIVLOSA-N 380.444 3.362 0 1 GGAF COc1cc(-c2nc3cc(F)cc(F)c3[nH]2)ccc1OCC(=O)NC(C)C 587222562 KLENKJBGZAESSE-UHFFFAOYSA-N 375.375 3.420 0 1 GGAF Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc2ncnn12 587799487 ZOLCWSPKZMQRJM-HUTHGQBESA-N 390.260 3.132 0 1 GGAF CCOC(=O)/C(=C\N(C)C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587738673 CATGRIMUNWGTGH-GBRAJLEPSA-N 399.304 3.346 0 1 GGAF N=c1nc2c(c[nH]1)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333763 ICTYMNJPSPOROE-KNQAVFIVSA-N 391.402 3.325 0 1 GGAF O=C1COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2N1 587591342 CGUFKKYDJDFDPK-UGKGYDQZSA-N 389.363 3.426 0 1 GGAF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(CCCc3scnc32)N1 962709735 RHQCTWNXEHIGEI-LRDDRELGSA-N 386.370 3.480 0 1 GGAF O=C(O)c1ccoc1[C@H]1N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963180598 MBPRIFJNVSWETI-NEPJUHHUSA-N 389.713 3.338 0 1 GGAF N#CN1CCc2c(C(=O)N3CCC(c4cccc(F)c4Cl)CC3)n[nH]c2C1 1772611120 DOJQDLFPWKCNSN-UHFFFAOYSA-N 387.846 3.061 0 1 GGAF Cc1ccoc1C(=O)N1CCCn2nc(C(=O)Nc3cccc(F)c3)cc2C1 1772623540 FPGHMKFOYMZTQO-UHFFFAOYSA-N 382.395 3.222 0 1 GGAF CCOc1ccc2nc(N3CCC[C@@H](C(=O)NC[C@@H]4CCCO4)C3)sc2c1 5105774 GKZXSAISVVNISS-ZBFHGGJFSA-N 389.521 3.207 0 3 GGAF CN(C)C[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14947745 PUPSQMCJWKYQII-ACRUOGEOSA-N 387.474 3.036 0 1 GGAF O=C(c1ccccc1)[C@H]1CCCN(C(=O)[C@H]2CC(Cc3ccccc3)=NO2)C1 15002569 CMFKGPYMGQEOEQ-PZJWPPBQSA-N 376.456 3.496 0 1 GGAF Cc1c(Cl)cccc1NC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 18283068 PYQXFNXTTREXNP-LWYUSKRHSA-N 377.868 3.461 0 1 GGAF O=C(NCCCOc1ccc2nc(O)ccc2c1)N(C1CC1)[C@H]1CC[C@H](O)CC1 100815978 UZISUVBKFQNLMW-HDICACEKSA-N 399.491 3.187 0 1 GGAF CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOCCO)cc1 4049166 GSHFDKOQCZWYHV-IFMALSPDSA-N 396.487 3.027 0 1 GGAF CC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)c4c(c3)OCO4)CC2)cc1 7284850 OFTIXHSAAHYEEY-UHFFFAOYSA-N 386.835 3.234 0 1 GGAF C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CCC1 103711883 ABOAOLATMYDQNI-LSDHHAIUSA-N 376.522 3.327 0 3 GGAF O=C(c1ccccc1)C1CCN(C(=O)C2CCN(Cc3ccncc3)CC2)CC1 58575751 UIRIJFAXRYOJFS-UHFFFAOYSA-N 391.515 3.415 0 1 GGAF CN(CCc1ccccc1)C1CCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC1 26822466 SAPNVCGANNDHTD-NRFANRHFSA-N 391.515 3.278 0 1 GGAF COc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)c4ccncc4)C[C@@H]2N3)cc1 100107593 OOWJKJLSMCKXIE-IUTQVRIDSA-N 385.467 3.337 0 1 GGAF CCCc1c(COc2cccc(OCc3nnn[nH]3)c2)ccc(C(C)=O)c1O 28016600 LFXZDWFKMMTVNE-UHFFFAOYSA-N 382.420 3.218 0 1 GGAF COc1cc(C(N)=O)c2ncnc(N[C@H](CN(C)C)c3ccc(Cl)cc3)c2c1 114345804 CJAKBHSFDAWLEM-QGZVFWFLSA-N 399.882 3.106 0 1 GGAF CN(c1ccc(-c2cc(F)ccc2OCC(=O)O)c(Cl)c1)S(C)(=O)=O 71331818 WBTRGYNCKRJCSO-UHFFFAOYSA-N 387.816 3.005 0 1 GGAF Cn1ncnc1COc1nn2c(-c3cccs3)nncc2c1-c1ccccc1 36088316 SBVOTVOGQYZEOU-UHFFFAOYSA-N 389.444 3.227 0 1 GGAF Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 72172067 APJNUVCPVULALD-UHFFFAOYSA-N 395.484 3.042 0 1 GGAF O=C(Nc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cocn1 95893586 USWLZHJSCCQWPG-HKBOAZHASA-N 390.443 3.056 0 1 GGAF CC(=O)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1 95567514 YJFHXEWRTFJWFJ-UHFFFAOYSA-N 387.443 3.325 0 3 GGAF OCc1ccc(-c2nccc(OC3CN(c4ccc5ccccc5n4)C3)n2)cc1 96168858 AKJQZEBMCHNPKX-UHFFFAOYSA-N 384.439 3.452 0 1 GGAF CCOC(=O)c1ncn2c1CN(Cc1ccccc1)C(=O)c1cc(F)ccc1-2 95595966 MHIGGZVRNLDMTE-UHFFFAOYSA-N 379.391 3.344 0 1 GGAF COc1cc(O)c(Cl)c2c1C(=O)O[C@@H](C)CCCCC[C@H](O)CC(=O)C2 31167246 OFCMNCCBXOEQGQ-RYUDHWBXSA-N 384.856 3.426 0 1 GGAF biogenic CC(C)(CO)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1C[C@H]1C[C@@H]21 299820533 HMLORMULXIVAOQ-MWLCHTKSSA-N 380.275 3.339 0 1 GGAF COc1cc2c(Nc3ccc(F)cc3C)ncnc2cc1OC[C@H]1CNCCO1 299823889 AWRZHEOLIDVSKR-OAHLLOKOSA-N 398.438 3.197 0 1 GGAF Nc1cc(-c2nc3cccc(I)c3[nH]2)ccc1CC(=O)O 587249336 IBQNZMYFIKFFTH-UHFFFAOYSA-N 393.184 3.044 0 1 GGAF CCOC(=O)[C@@]1(CC(=O)C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799893 UQZJZDGHJMYXPG-YPMLDQLKSA-N 398.272 3.250 0 1 GGAF O=C(CCc1nc2cc(Cl)ncc2[nH]1)Nc1nnc(-c2ccncc2)s1 587023794 JCRPTNIKNIGOAS-UHFFFAOYSA-N 385.840 3.096 0 1 GGAF O=C1C[C@@H](C2CCN(S(=O)(=O)C3CC3)CC2)Oc2c1ccc1c2CCCC1 587534333 YSOJXEFJHZGKDN-FQEVSTJZSA-N 389.517 3.103 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cccc(F)c12 587737733 GXCFDQOPZYRDJX-QPFGOUBPSA-N 379.204 3.457 0 1 GGAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc(N(C)C)n1 587754537 KLACRFNUYKUZDY-XXFAHNHDSA-N 379.277 3.376 0 1 GGAF Oc1nc2cc3nc(-c4nnn(-c5ccc(F)cc5)c4C4CC4)[nH]c3cc2[nH]1 587168704 MSXLNINUTOUHAS-UHFFFAOYSA-N 375.367 3.409 0 1 GGAF COC(=O)[C@@H]1CC(OC)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587807985 GHBYESPLNBVCAP-OVSFNBESSA-N 384.245 3.041 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=Cn3c(C=O)cnc32)N1 587774080 LFUIXUHQAZZSLZ-BTDLBPIBSA-N 376.229 3.249 0 1 GGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](Cc2nc3ccccc3[nH]2)(C(F)(F)F)N1 962892623 GLOGTNGSUWOUOE-YJBOKZPZSA-N 393.340 3.301 0 1 GGAF C[C@@]1(c2cccc(Br)n2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963233276 UDNQXCZGMDXXQC-HNAYVOBHSA-N 398.260 3.255 0 1 GGAF CCOC(=O)[C@@]1(c2ccsc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962761938 IJFJAMBWGIBAQK-PBHICJAKSA-N 383.391 3.201 0 1 GGAF O=C1NCCCC[C@H]1Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 1772612522 AZTKLMUSJKAVBQ-QGZVFWFLSA-N 389.463 3.439 0 1 GGAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](COCc3ccccc3)C[C@H]2CO1 169711621 CPAVQEOYMDFNLT-XPIZARPCSA-N 388.414 3.127 0 1 GGAF Cc1ccc2c(c1)C[C@H](C)N2C(=O)c1ccc2c(n1)N(C1CC1)[C@H](C)C(=O)N2C 1857642526 YBUMBAJJSBIYAF-LSDHHAIUSA-N 390.487 3.315 0 1 GGAF CC(C)c1ccc(CC(=O)N=c2ccn(C[C@@H]3CCC(F)(F)CO3)[nH]2)cc1 1857761538 GYBBSOIWVDROMG-KRWDZBQOSA-N 377.435 3.424 0 1 GGAF COCCNC(=O)c1ccc(-c2nc(C[S@@](=O)c3ccccc3)c(C)o2)cc1 6941203 JQKBRNSJZNWHQB-NDEPHWFRSA-N 398.484 3.334 0 1 GGAF CSc1c(Cl)nc(N2CCN(C)CC2)nc1NCCc1ccccc1 29204017 ODOKYHQNCVNTBN-UHFFFAOYSA-N 377.945 3.258 0 1 GGAF O=C([C@@H](O)c1ccccc1Cl)N1CCC(Nc2ccc3[nH]ncc3c2)CC1 28891691 JISHTAQRIKFVMS-IBGZPJMESA-N 384.867 3.353 0 1 GGAF COc1ccccc1C(=O)N1C[C@H]2C[C@H]1C(=O)N(CC1CC1)c1ccccc1O2 2356581207 OQUMDEMQFMQXGV-APWZRJJASA-N 392.455 3.114 0 1 GGAF COc1cc(/C=C/C(=O)O)ccc1Oc1cc(/C=C/C(=O)O)cc(OC)c1O 38557796 APPBYCVXYSCHKW-NSLJXJERSA-N 386.356 3.397 0 1 GGAF COC(=O)Cc1cc2c(cc1[C@@H]1[C@H](C)c3ccc4c(c3CN1C)OCO4)OCO2 13408559 QTJGELCKRFLMOF-GTJPDFRWSA-N 397.427 3.150 0 1 GGAF biogenic O=Cc1c(Cl)n([C@H]2O[C@H](CF)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 49032322 MAEINUIQSYLOSS-BYNQJWBRSA-N 382.602 3.003 0 1 GGAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCCSC 82218475 JCOYQEFUOAOZJB-MLWNHIIHSA-N 390.549 3.008 0 1 GGAF CCC[C@H](CO)[C@@H]1CC[C@](CCc2ccc(O)c(OC)c2)(OC(C)=O)C[C@H]1O 85627707 HHIUIIAWEHLAIJ-MXKPZRPRSA-N 394.508 3.205 0 1 GGAF biogenic,in-vitro COc1ccc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)cc1OC 147808557 ZMDIGBNFHYITEJ-OAHLLOKOSA-N 380.400 3.406 0 1 GGAF O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CN(CCO)CC3 147583260 KTYWJBMKNSMOHV-UHFFFAOYSA-N 391.876 3.269 0 1 GGAF Fc1cc(O[C@H]2CCNC[C@H]2F)c2nc(-c3nnc4ccccn34)ccc2c1 96175067 KXDUVJWVGXIEPX-ZBFHGGJFSA-N 381.386 3.162 0 1 GGAF COc1ccc(-c2c(O)nn3c(S)nc(-c4ccccc4)nc23)cc1OC 96901431 BKKKLEQGOBYLRU-UHFFFAOYSA-N 380.429 3.470 0 1 GGAF CS(=O)(=O)NC(=O)c1ccc(OC[C@H]2CC[C@H](C(F)(F)F)CC2)cc1F 261180507 VYYHWRVDKPQHKZ-XYPYZODXSA-N 397.390 3.263 0 1 GGAF O=C(c1ccc(Cn2cc(Cl)cn2)o1)n1ncc2ccc(Cl)cc2c1=O 587651540 LRHBRKSEOWEFOE-UHFFFAOYSA-N 389.198 3.230 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CCNc4nc(Br)ccc41)[C@@H](C2)C3=O 587417038 INHFIGNNWBGHFG-SGTLLEGYSA-N 387.233 3.311 0 1 GGAF COc1ccccc1NC(=O)[C@H](N=O)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587389203 JHKPCQZDMKQOIY-ICSRJNTNSA-N 383.404 3.083 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C(/C=C\C(=O)O)=COc4ccc(F)cc41)[C@@H](C2)C3=O 587426567 DDSPCQBNDUCMTP-GVYWRUEDSA-N 394.354 3.394 0 1 GGAF O=S(=O)(/N=C(O)/C=C/c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 46708982 HVHVGROKUSWZRR-KRXBUXKQSA-N 379.821 3.470 0 1 GGAF O=C(/C=C/c1ccccc1)N[C@@H](c1ccccc1)[C@@H](O)C(=O)NC1CCCCC1 1772578433 OIHUXPQETXXPKZ-KPHXZQBASA-N 392.499 3.367 0 1 GGAF Cc1oc(-c2ccccc2NS(C)(=O)=O)nc1CN(C)Cc1cccnc1 12052253 UOTCNCMOTNBNFP-UHFFFAOYSA-N 386.477 3.049 0 1 GGAF CC/C=C\C[C@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@H](O)C/C=C\CCC(=O)O 12495771 IKFAUGXNBOBQDM-ODXLUVBTSA-N 376.493 3.461 0 1 GGAF endogenous,in-man O[C@@H]1c2cc3c(cc2C[C@H]1N1CCC(c2cccc4c2OCCO4)CC1)OCO3 13471808 YBMCLZFSNBQZAE-XMSQKQJNSA-N 395.455 3.024 0 1 GGAF CC(=O)O[C@@H]1[C@H](C)C[C@H]2[C@@H]3[C@@H]4O[C@@H](/C=C(\C)[C@H](O)CC[C@]4(C)OC[C@@H]2C)[C@@H]31 169292937 QQUBMUOPSYDXCO-RYWIAATESA-N 378.509 3.100 0 1 GGAF COc1ccc(CC(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1 206020439 PCUZUAPUDDUDRL-YOEHRIQHSA-N 388.826 3.292 0 3 GGAF O=C(NCCCCCCNC(=O)N1Cc2ccccc2C1)c1ccc(O)cc1 166631703 LNKCBLIKJJLOAJ-UHFFFAOYSA-N 381.476 3.408 0 1 GGAF Cc1ccc(N2CCN(CCCNC(=O)c3ccc4ccccc4n3)CC2)cc1 1857650939 UVGCSFKKMUDCGT-UHFFFAOYSA-N 388.515 3.485 0 1 GGAF Cc1cc(=Nc2nc(-c3ccccc3)nc3cc(N4CCN(C)CC4)ccc23)[nH][nH]1 1857771044 GBMDFZRFAMTRLI-UHFFFAOYSA-N 399.502 3.246 0 1 GGAF COc1ccc2c3c1O[C@@H]1c4[nH]c5ccccc5c4C[C@]4(O)[C@@H](C2)N(C)CC[C@]314 1657486 HPRLAWOHFRYBFS-LKDDOFHYSA-N 388.467 3.095 0 1 GGAF NC(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1 100087479 NTTRGNVGKVVFIN-UHFFFAOYSA-N 384.848 3.462 0 1 GGAF CC(C)C[C@](O)(C(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1 22940488 BXPZZRSJZXTCIG-XMMPIXPASA-N 380.532 3.307 0 1 GGAF CCc1cc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)c(C)s1 72183041 VLFTWHOZHAMTTE-OAQYLSRUSA-N 391.500 3.106 0 1 GGAF CC(=O)NCc1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)cc1C 45391878 YZEGLIPBNUNNGN-UHFFFAOYSA-N 389.459 3.269 0 1 GGAF Cc1cc(-c2cnc(N)c(-c3cn(C(C)C)nn3)c2)ccc1CN1CCOCC1 142801486 DDBUNYXHEOKBGR-UHFFFAOYSA-N 392.507 3.311 0 1 GGAF COc1cc2c(cc1OC)-c1c(-c3cnc(N4CCOCC4)s3)ncn1CC2 84596437 WIWOBGNIVSRLMD-UHFFFAOYSA-N 398.488 3.084 0 1 GGAF Cc1ccc(NC(=O)N2CCc3nc(N4CCCC4)nc(OC(C)C)c3C2)cn1 96168386 LMCFZWMTKXPNBX-UHFFFAOYSA-N 396.495 3.158 0 1 GGAF CCN(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(=O)c1cccnc1 95895778 OBYQZMKDECEVCN-XPWALMASSA-N 391.515 3.228 0 1 GGAF COc1ccc([C@]23OC[C@]24[C@@H]2CO[C@H](c5cc(OC)c(OC)cc53)[C@H]24)cc1OC 253636455 QNMXTGTWSBDJKC-JDENGUTFSA-N 396.439 3.312 0 1 GGAF COc1cc2c3c(c1)OC1(C[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C1)[C@@H](C2)C3=O 587444208 NVYIIRXYPGPIGY-DZKIICNBSA-N 385.460 3.458 0 1 GGAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnnc(O)c3[nH]2)C[C@@H]2CCCC[C@H]21 587026056 KCHBAXQAVMTXIS-CFVMTHIKSA-N 383.477 3.195 0 1 GGAF Cc1ccc2c3c(c4c(nc13)CC[C@@H]1[C@@H](C(=O)O)NC[C@@H]41)-c1ccccc1C2=O 587097829 SWXVOKYTGLJBPA-IATAILRESA-N 384.435 3.457 0 1 GGAF Cn1ncnc1[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337569 BIGZWRFYBHPCIB-WIYYLYMNSA-N 379.391 3.324 0 1 GGAF N=c1[nH]c2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)nc-2c(Cl)[nH]1 586961854 YKCFYVAQZCPLDF-MHZLTWQESA-N 397.891 3.409 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 586888664 XAVSGQXZQBIMAP-QLFBSQMISA-N 387.505 3.232 0 1 GGAF N[C@H](Cc1ccc(I)cc1)c1nc2ccnc(Cl)c2[nH]1 587185135 XPZAQXWIADRXMS-SNVBAGLBSA-N 398.635 3.458 0 1 GGAF CCOC(=O)c1[nH]cnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587788875 AMENBUKILJQXLN-ISVAXAHUSA-N 382.233 3.112 0 1 GGAF NS(=O)(=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134125 IJQWFMYDBNTKNQ-RQOWECAXSA-N 389.305 3.076 0 1 GGAF CCCc1nc(-c2nc3nccc(C(=O)OC)c3[nH]2)nn1-c1ccccc1F 587154332 CEYSYTKZJOMMSL-UHFFFAOYSA-N 380.383 3.084 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1[C@@H]3[C@@H]4[C@H]5C[C@@H]3[C@@H]2[C@H]5C(=O)[C@H]41 587831283 WWYSVDIYKZGUEL-IFLYUXPNSA-N 388.280 3.275 0 1 GGAF CCCc1c(O)ccc2c1O[C@](C)(CC(C(=O)OCC)C(=O)OCC)CC2=O 587483591 RMIUJQLCAPFEDW-OAQYLSRUSA-N 392.448 3.201 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cc(Cn4cncn4)c(C)cc1C)[C@@H](C2)C3=O 587433529 YSUGRWVLCHWWRR-PGRDOPGGSA-N 375.428 3.441 0 1 GGAF COc1cc(F)c([C@H]2NCCc3nc4ccccn4c32)cc1Br 962983544 LFFAGYQXSGRCES-MRXNPFEDSA-N 376.229 3.480 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccccc3OC[C@H]3CCCO3)c3cccc1c32 963028969 PLTMXJPYJRHHJC-LNPFQXMTSA-N 378.472 3.387 0 1 GGAF CCOC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)CC1 13728348 DLMIXKIRUDXSFI-UHFFFAOYSA-N 387.501 3.281 0 1 GGAF COc1ccc2nc(N3CCN(Cc4ccc(F)cc4)CC3)c3cccn3c2n1 13762468 ARCIIEQRTPPAQU-UHFFFAOYSA-N 391.450 3.352 0 1 GGAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(-n2nccn2)c1 167363047 ZUPMANPIDIDUOM-YJBOKZPZSA-N 392.459 3.394 0 1 GGAF COc1nc(N2CC[C@@H](O)C2)ccc1-c1cc2c(C(=O)O)c[nH]c2cc1Cl 205313907 CVPDYZUEDILILE-SNVBAGLBSA-N 387.823 3.161 0 1 GGAF COc1cccc(Cc2cc(C)nn([C@H](C)C(=O)Nc3cccc(F)c3)c2=O)c1 1857572052 DIFCGRAHBZQFTN-OAHLLOKOSA-N 395.434 3.490 0 1 GGAF CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccs2)n2c(nc3ccccc32)N1 4597490 NRJKBHWGPWAPKP-GOSISDBHSA-N 380.473 3.246 0 1 GGAF CCCCN(C)C(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 7153020 YJVGOUVBVPZEHS-UHFFFAOYSA-N 395.481 3.113 0 3 GGAF CCOC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CC2)CC1=O 100998566 OMQFDHLDCXPTBM-KKMBPYAXSA-N 397.515 3.132 0 1 GGAF O=C(Nc1cnn(S(=O)(=O)c2cc(Cl)ccc2Cl)c1)c1ccccn1 116773367 PFNHJZNUOHOVJT-UHFFFAOYSA-N 397.243 3.074 0 1 GGAF CN(C(=O)C1=CC2=N[C@@H](c3ccco3)C[C@H](C(F)(F)F)N2N1)c1ccccc1 104009484 AHIPQEVESXHYLE-CZUORRHYSA-N 390.365 3.421 0 3 GGAF NC1=N[C@@](c2cccc(NC(=O)c3ccc(Cl)cn3)c2)(C(F)(F)F)COC1 117498638 KBYCQYPXPIXAHW-INIZCTEOSA-N 398.772 3.132 0 1 GGAF CC(=O)OC[C@](C)(O)C=Cc1c(O)ccc2c1O[C@H](c1ccccc1)CC2=O 2356736678 HHIQHUHYZFQZME-RBBKRZOGSA-N 382.412 3.426 0 1 GGAF O=C(c1nc2ccccc2n1Cc1ccccc1)N1CCN(c2ccncc2)CC1 45497254 ZBNIJXJQGOXMPG-UHFFFAOYSA-N 397.482 3.442 0 1 GGAF CC(=O)NCCn1c(C(C)C)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188704 KEZACOWRNKRJGC-OAHLLOKOSA-N 380.496 3.301 0 1 GGAF CCOC(=O)c1ccc(OCCC2CCN(c3ccnnc3Cl)CC2)nc1 40406483 OOCPTZCMWXHFJF-UHFFFAOYSA-N 390.871 3.387 0 1 GGAF CC(=O)NCCn1c(-c2ccsc2)nc2c(NCc3cccs3)ncnc21 82222802 XSJLUBMLQYXJCI-UHFFFAOYSA-N 398.517 3.365 0 1 GGAF COc1ccccc1-c1csc(N[C@@H](Cc2c[nH]cn2)C(=O)NCC(C)C)n1 82192179 MQVKGEVXZAOPAW-INIZCTEOSA-N 399.520 3.337 0 1 GGAF COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CCN(Cc2ccccc2)CC1 95795920 BJBAHXXDKKGDHN-NRFANRHFSA-N 391.515 3.347 0 1 GGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(Cc4ccc(C)cc4)C[C@H]23)cc1 95795657 BTBGJPBJMAHVIJ-LGRGJUFPSA-N 376.500 3.199 0 1 GGAF C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)nn1C 96935130 QEWRSJXOGZNQSF-UHFFFAOYSA-N 394.826 3.046 0 1 GGAF CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@]2(O)[C@@H](OC(=O)C(C)C)CC[C@H](C)[C@@]12C 238763793 SNUAMBITBMIPCB-VVUPDRAPSA-N 392.448 3.124 0 1 GGAF Cc1cc(C(=O)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc2c[nH]nc12 473152671 VBRIDOROBYYVSA-NRFANRHFSA-N 384.480 3.344 0 1 GGAF O=C1[C@H]2Cc3ccc(OCc4ccccc4)cc3CN2C(=O)CN1C1CCCC1 473089058 KDYGNASCTBMIHW-JOCHJYFZSA-N 390.483 3.304 0 1 GGAF CCn1ncc(N)c1C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862566 CHXQBFRPDUTKRW-UHFFFAOYSA-N 379.342 3.065 0 1 GGAF O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 587335807 OYIOHDDDKSNNKD-SIKLNZKXSA-N 398.361 3.236 0 1 GGAF COC(=O)[C@@H](C)[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445244 ZXTNADTYNFLKJY-LPCJOIQWSA-N 382.412 3.156 0 1 GGAF CCOC(=O)C(=O)Cc1nc2ccc(O)c3c2c(c1CC)-c1ccccc1C3=O 586989492 LEBUHUHPOMWHAM-UHFFFAOYSA-N 389.407 3.389 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)N1CCOCC1 587867169 WZIMVDQOKFTUFY-ZDUSSCGKSA-N 397.397 3.329 0 1 GGAF COc1cc(Br)c([C@@H](N)c2nc3ccc(C)nc3[nH]2)cc1OC 586975337 NAXJHSAQCAIDEM-CQSZACIVSA-N 377.242 3.094 0 1 GGAF O=C(O)c1cccnc1SCc1nc2c(F)cnc(Br)c2[nH]1 586968015 JAPDDLKAXUVBEM-UHFFFAOYSA-N 383.202 3.245 0 1 GGAF O=c1nc(O)c(-c2cc3c4c(cccc4n2)CC3)cn1-c1cccnc1Cl 587208870 CWXRDBFYNZDMES-UHFFFAOYSA-N 376.803 3.300 0 1 GGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1nnn(-c2ccccc2)c1C 963586272 VDFRMWKLRDNWOC-JLCFBVMHSA-N 378.476 3.391 0 1 GGAF COCCCn1nc(C)c2ccc([C@H](C)N(C(=O)[C@@H]3CCNC3)C3CC3)cc21 1772573302 VMLGMUXMAQTLIO-FUHWJXTLSA-N 384.524 3.043 0 1 GGAF COc1ccc(C[C@]2(CCC(=O)NCc3ccsc3)CCC(=O)N2)c(F)c1 12038702 YFUOLTVZSUDIHW-FQEVSTJZSA-N 390.480 3.184 0 1 GGAF O=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 4119240 LZLNCLNGRLGVCA-UHFFFAOYSA-N 396.512 3.123 0 3 GGAF COc1cc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2N2CCCC2)cc(OC)c1OC 6018047 SJPGQPFBCGBOSA-MSOLQXFVSA-N 390.524 3.120 0 1 GGAF CCN(C(=O)Cn1cnc2c(nc3n2CCCCC3)c1=O)c1cccc(Cl)c1 6738690 LDAXHQZGGJILPR-UHFFFAOYSA-N 399.882 3.026 0 3 GGAF Cc1cc(-c2ccc3nc(=NC(=O)NCc4ccccc4)[nH]n3c2)cc(C)c1O 1911576824 QHJBMTSFJGYWAA-UHFFFAOYSA-N 387.443 3.462 0 1 GGAF COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc3ccccc3c2O)CN1CCC(C)(C)C 103266276 YMTRIPLCLRRTFO-LPHOPBHVSA-N 398.503 3.327 0 1 GGAF CC/N=c1\c(NS(=O)(=O)c2ccc(F)c(F)c2)c(O)oc2ccccc12 103673242 OTJOOIYGFFASKC-HKWRFOASSA-N 380.372 3.138 0 1 GGAF COc1ccc2c(n1)NC(=O)CC(=O)N2C1CCN([C@@H]2C=CCCCCC2)CC1 114073112 YWAUKNYPCVZKBR-MRXNPFEDSA-N 398.507 3.119 0 1 GGAF COc1cc(O)ccc1C(=O)C[C@@H]1c2ccc(O)c(OC)c2C[C@@H]1C(C)(C)O 2356627446 JFKSSNYNQWSGSN-WBVHZDCISA-N 386.444 3.415 0 1 GGAF COc1ccc2c(ccn2S(=O)(=O)c2cccc(NC3CCN(C)CC3)c2)c1 35261915 IOGBNBNBOWLGAJ-UHFFFAOYSA-N 399.516 3.393 0 1 GGAF Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSCCCC(=O)O)c1 73221709 LAZVUQALSSIGQJ-HKBUGEINSA-N 391.533 3.044 0 1 GGAF COc1ccc(S(=O)(=O)c2ccc3[nH]nc(C4CCN(C)CC4)c3c2)cc1 71281359 NRMBZJFZSSLVQR-UHFFFAOYSA-N 385.489 3.214 0 1 GGAF Nc1ccc(-c2ccsc2)cc1NC(=O)c1ccc(CNCC(=O)O)cc1 142349806 CHZSBVHZHZBOAS-UHFFFAOYSA-N 381.457 3.424 0 1 GGAF CC(=O)OC/C(=C\CC/C(C)=C\CO)CC[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1 238776191 HQNQQDPJKGHMFM-FEBPEKKZSA-N 398.540 3.044 0 1 GGAF O=C(Nc1ccnc(NC(=O)C2CC2)c1)c1c(Cl)cc(CO)cc1Cl 96928684 GEJYAFDTICZTAG-UHFFFAOYSA-N 380.231 3.482 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccc(F)cn4)ncc23)ccn1 261143997 NOQMNPHIROMTAY-UHFFFAOYSA-N 377.383 3.184 0 1 GGAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(I)cnc2[nH]1 587164047 QOLBXRPDVHDANH-ZDUSSCGKSA-N 396.207 3.353 0 1 GGAF CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=CN1C 587762734 ZZSVGKFBUBBWDA-XLFHBGCDSA-N 381.245 3.135 0 1 GGAF COCCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351264 TUMUWDGKLQDPNV-PZJWPPBQSA-N 388.391 3.229 0 1 GGAF O=S(=O)(Cc1nc2cc(Br)c(F)c(F)c2[nH]1)C1CCCC1 586924203 LABIFBMEPPTLIM-UHFFFAOYSA-N 379.226 3.461 0 1 GGAF Cc1nn(Cc2nc3c(Br)ccnc3[nH]2)c(C)c1Br 586979307 WJWTWEWEINNLGF-UHFFFAOYSA-N 385.063 3.345 0 1 GGAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nc(Br)c[nH]c-2n1 587148083 ZMPADZOQYLBHOQ-UHFFFAOYSA-N 391.179 3.413 0 1 GGAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc5c(cc4[nH]3)OCO5)n2)cc1 587111266 DEICCGORLHVVTP-UHFFFAOYSA-N 388.309 3.012 0 1 GGAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(N)=O 587507341 CEVQJNUWJOYYKI-IBGZPJMESA-N 381.428 3.145 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(C)cc(Br)cc21 587371195 JFCXYTAEAFSZML-SFHVURJKSA-N 387.233 3.461 0 1 GGAF NS(=O)(=O)c1cccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587077379 SIAWVKAWARWKTM-HNNXBMFYSA-N 390.896 3.201 0 1 GGAF Oc1nc(NCc2ccccc2)c2nc(C(C[C@@H]3CCCN3)=C(F)F)nc-2[nH]1 587088101 IVCQNMJYVWGYOS-LBPRGKRZSA-N 386.406 3.372 0 1 GGAF CCCCCOc1cc2nc(C[C@H](O)CC(=O)O)[nH]c2cc1Br 586891075 QDRDVGCPHRUEJV-JTQLQIEISA-N 385.258 3.273 0 1 GGAF Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)O 587575189 DCMAMTYRWTUICB-UTKZUKDTSA-N 379.368 3.306 0 1 GGAF CC(=O)c1cnn(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587765275 SEUNLQJWDCQNMK-VVVCHXIZSA-N 380.261 3.322 0 1 GGAF COc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)Nn3cnnc31)N(C(C)C)CC2 962094588 WOPHNENZMVNOSS-HSZRJFAPSA-N 387.487 3.395 0 1 GGAF c1nc2c(NC3CCCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1 13648440 BCUWHWNNRNCIEH-UHFFFAOYSA-N 379.468 3.288 0 1 GGAF Cc1ccc(CNC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)cc1 15936051 NFQMWAJOOGFNFS-UHFFFAOYSA-N 381.436 3.362 0 3 GGAF C=CCN1CC(=O)N2[C@@H](c3ccccc3C)c3[nH]c4ccccc4c3C[C@@H]2C1=O 16032563 ZKLQCRXEVZDHLA-OFNKIYASSA-N 385.467 3.347 0 1 GGAF biogenic NC(=O)[C@H]1CCCC[C@@H]1Nc1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F 165780282 YGVGRXADYPSGFG-HZMBPMFUSA-N 388.834 3.268 0 1 GGAF N=c1[nH]c(C(=O)Nc2cc(-c3ccc(N4CCNCC4)cc3)ccc2Cl)co1 1857597818 BCKZSIWJRQWFAX-UHFFFAOYSA-N 397.866 3.069 0 1 GGAF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)C)[C@@H](C)C(=O)N3C)cc1 1857747540 STEIGLAGBTVCDC-HNNXBMFYSA-N 387.505 3.376 0 1 GGAF COc1cc2c(cc1OS(=O)(=O)O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 2356319152 HKVMUVAMCRTTDB-UPCNGNSLSA-N 382.478 3.094 0 1 GGAF CCCCN(CCCC)CC(=O)Nn1c(S)nnc1-c1ccc(OC)cc1 103210537 SZWYWWCKEQCCGJ-UHFFFAOYSA-N 391.541 3.215 0 1 GGAF CC1(C)CN(C(=O)c2ccccc2F)C[C@H]2CN(Cc3ccc(F)cc3)CCN21 2356302984 IAOJCFKSMPMZSC-LJQANCHMSA-N 399.485 3.386 0 1 GGAF CCOC(=O)/C=C/c1cccc(C(=O)c2c(CC)c(C)[nH]c(=O)c2N(C)C)c1 28360415 YVUKOAQHZIPTTP-VAWYXSNFSA-N 382.460 3.119 0 1 GGAF Cc1ccc([C@H](O)Cn2c(=N)n(CCN3CCCCC3)c3ccccc32)cc1 28899104 FYUGRMNFXYASEF-JOCHJYFZSA-N 378.520 3.450 0 1 GGAF COc1cc2c(cc1OC)[C@H](CN1CCN(c3ccccc3C)CC1)OCC2 27883969 ASJPZIIKIPIQGG-QHCPKHFHSA-N 382.504 3.448 0 1 GGAF Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1S(=O)(=O)N1CCC1 29038038 VZJCDUVIHBZYEA-AEFFLSMTSA-N 376.522 3.042 0 1 GGAF COC(=O)C1=NN(c2ccc(C)cc2)[C@]2(C)C[C@H](c3ccccc3)N(C)CCN12 2356834547 KCKDVBHHSKMPEC-NFBKMPQASA-N 392.503 3.397 0 1 GGAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C(F)(F)F)CC2)cc1F 216240159 FKAFQFFYKBCSIF-UHFFFAOYSA-N 395.374 3.114 0 1 GGAF Cc1cccc(C)c1N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)NCC(C)C 199248093 ROSFZLAPPIULMW-LJQANCHMSA-N 379.460 3.043 0 3 GGAF CSc1cccc(B(OC(=O)c2ncccc2O)c2cccc(Cl)c2)c1 195215689 KTYDLTSFGKMSRZ-UHFFFAOYSA-N 383.665 3.125 0 1 GGAF CC(C)COC(=O)NCCOC(=O)N(O)c1ccc(Br)cc1 68586776 AFYATENNELJKBV-UHFFFAOYSA-N 375.219 3.164 0 1 GGAF biogenic COC(=O)c1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587852989 KAYHPIFSLDVSDU-FUXBKTLASA-N 385.258 3.455 0 1 GGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(Br)nc2[nH]1 587194662 XKBIASGRKUVAOC-NSHDSACASA-N 398.305 3.238 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(C)CC4)c(F)c1)[C@@H](C2)C3=O 587428196 XTWZHJVWJGZGSS-KSFYIVLOSA-N 382.435 3.075 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccnc(N(C)C)c1 587867542 IUPHPEHEHWQHCS-UHFFFAOYSA-N 391.353 3.122 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(F)ccc12 587737090 YDUKOPIJFXJEPP-WNWIJWBNSA-N 379.204 3.457 0 1 GGAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cc(OC)ccc1OC)[C@@H](C2)C3=O 587441582 GAAKNPQYHVXGQU-AOMKIAJQSA-N 398.411 3.220 0 1 GGAF COC(C)(OC)[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570970 KENNUIDLHBDPMQ-FYDICMMPSA-N 399.443 3.177 0 1 GGAF Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 13610466 DKSWXNFPYZCJFU-UHFFFAOYSA-N 387.447 3.254 0 1 GGAF CC1=CC=C[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H](C(=O)c3cccs3)N12 169358098 SFCREXJHGOKVDR-XGXHKWSGSA-N 390.464 3.263 0 1 GGAF CS(=O)(=O)c1ccc(-c2cn(-c3cccc(-c4ccccn4)c3)nn2)cc1 1857559426 GFTBIFNSWWJUOD-UHFFFAOYSA-N 376.441 3.400 0 1 GGAF COc1ccccc1CCN=c1[nH]c(N2CCCC[C@@H]2CO)nc2ccccc12 1857618783 PRGNSTWODNNTOW-GOSISDBHSA-N 392.503 3.066 0 1 GGAF CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl 1857639178 UUUZVUUYCUVGRF-UHFFFAOYSA-N 385.888 3.484 0 1 GGAF CCOC(=O)[C@@H]1[C@@H]2NC(=O)N(Cc3ccccc3)[C@@]1(C)Oc1c(OC)cccc12 3958671 NDVKPDKVBTWJQB-SVMVAKDDSA-N 396.443 3.250 0 1 GGAF CC(C)(C)n1nc2c(c1NC(=O)COc1ccc(Cl)cc1)C[S@](=O)C2 4106004 NLOSZGIREUKBHE-RUZDIDTESA-N 381.885 3.071 0 1 GGAF COc1ccc(NC(=O)c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3)cc1OC 6769921 CWNJDIMMXHWULV-MRXNPFEDSA-N 396.443 3.091 0 3 GGAF CN(C)CCOc1cccc(CNc2nnc(Nc3ccc(Cl)cc3)nn2)c1 58603588 NUICDXOYINZWIB-UHFFFAOYSA-N 399.886 3.216 0 1 GGAF O=C(O)c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1C(=O)O)OCO3 28116422 CEAXLCFVBSPTRM-UHFFFAOYSA-N 380.308 3.361 0 1 GGAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](Cc4ccc(=N)[nH]c4)C3)CC[C@H]1[C@@](N)(CCO)C2 2356509780 APTJHZQAAILDDY-PPDJZNBDSA-N 387.568 3.271 0 1 GGAF Cc1cc(C(=O)N[C@@H](C)c2onc(-c3ccc(Cl)cc3)c2C(=O)O)nn1C 2356559241 CJCLEAFICXOOEX-JTQLQIEISA-N 388.811 3.226 0 1 GGAF O=C(C[C@@H]1CC(=O)N2CCCCC[C@@H]2[C@@]1(O)c1ccccc1)N1CCCCCC1 2356768397 NQXMOUJMVXDKFM-PQNGQFLHSA-N 398.547 3.458 0 1 GGAF N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 36216178 VYKCTPSUYCZVGL-FPOVZHCZSA-N 390.487 3.406 0 1 GGAF CCC(C)(C)[C@H]1CCc2n[nH]c(C(=O)NCCNC(=O)OC(C)(C)C)c2C1 36387446 NSXOLJLYMOKDRU-ZDUSSCGKSA-N 378.517 3.205 0 3 GGAF CN1C(=N)N[C@@](c2cncnc2)(c2cccc(-c3cccc(Cl)c3)c2)C1=O 84597050 IVSABKDCMZRDBN-HXUWFJFHSA-N 377.835 3.037 0 1 GGAF CCC(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4cccc(OC)c4)cc3[C@@H]21 95877803 BTQNNHATDNSPFK-JMUQELJHSA-N 380.488 3.473 0 1 GGAF O=C(c1nc2ccccc2[nH]1)N1CC[C@H](Oc2ncccc2C2CCOCC2)C1 96168951 AFEIQIPWXWPMMW-INIZCTEOSA-N 392.459 3.145 0 1 GGAF O=C1OCC[C@@H]1CNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 147456416 PVRHOPGMFYPFCK-CQSZACIVSA-N 376.420 3.334 0 1 GGAF COC(=O)c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1OC 587091827 PFXZGIDMNHQCFZ-UHFFFAOYSA-N 381.310 3.361 0 1 GGAF CCOc1ccc(OCC)c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 587777828 FNKXDAWWDXABBQ-UHFFFAOYSA-N 389.477 3.278 0 1 GGAF COc1ccc(-c2nc3c(Cl)ncnc3[nH]2)c(I)c1 587180487 RSRRGFTVQDFTEV-UHFFFAOYSA-N 386.580 3.287 0 1 GGAF CC[C@]1(C(F)(F)C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550664 VVKFEGFWOSWOQQ-KSSFIOAISA-N 378.327 3.311 0 1 GGAF COC(=O)[C@@]1(CC(=O)C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803745 BWZTVVLUMUKEIC-BTDLBPIBSA-N 386.261 3.106 0 1 GGAF COC(=O)/C(=C/c1cccc(Cl)c1Cl)c1ccc2c(O)nc(O)nc2n1 587368491 KSNNSRHOFRFCSK-JXMROGBWSA-N 392.198 3.456 0 1 GGAF CCCS(=O)(=O)N1CCC(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CC1 586951912 BEKOCFWLKYSFSR-UHFFFAOYSA-N 391.415 3.381 0 1 GGAF CCS(=O)(=O)c1ccc(Cl)cc1[C@H]1NCCc2nc3ccccn3c21 962983681 MBJNXIPVZZALOE-QGZVFWFLSA-N 375.881 3.016 0 1 GGAF CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2cccnc2)C1 11661201 QSUCTGRTKQDPGI-QFIPXVFZSA-N 382.460 3.118 0 1 GGAF COCCc1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651124 VUIMRWGZTCIQHQ-FQEVSTJZSA-N 376.456 3.374 0 1 GGAF COCCCC1CCN(C(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)CC1 15075068 QJQNDMQFBVVMCG-LJQANCHMSA-N 390.499 3.230 0 3 GGAF Cn1c(C(=O)NCCCN2CCCCCC2)cc2c(=O)n(C)c3ccccc3c21 4938762 RVKMBOMZBXZPDJ-UHFFFAOYSA-N 394.519 3.026 0 3 GGAF CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cc(Cl)ccc1OC(F)F 104115996 UJXQWDAEBGQXJQ-RVROTUBLSA-N 385.758 3.429 0 1 GGAF Cc1cccc(N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)c2ccccc2)c1 100792360 OMMHSSAPXYSODZ-DBXWQHBBSA-N 398.528 3.495 0 1 GGAF Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3O[C@H](C)CN)c12 118758675 SXTBJNZUJNVTHC-MRVPVSSYSA-N 376.413 3.307 0 1 GGAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C(N)=O)C[C@]4(C)[C@H]3CC[C@]12C 118920051 NSRFUDBYSKPHCF-BIZJGLDVSA-N 375.509 3.241 0 1 GGAF CC(C)(O)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21 28820880 DCKYJLBTIKJCTP-UHFFFAOYSA-N 391.475 3.092 0 1 GGAF COCCNC(=O)[C@]1(C)CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 61903866 RLNFFEOIQRAPOG-HXUWFJFHSA-N 392.927 3.153 0 3 GGAF Cn1c(OC[C@H]2CCCN2c2ccc(F)cc2)nc(-c2ccncc2F)cc1=O 146509652 GQLOOXKUISSHOB-MRXNPFEDSA-N 398.413 3.168 0 1 GGAF CN(C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2)c1ccncc1 95590969 NKVXOUYQRVLICZ-UHFFFAOYSA-N 398.466 3.474 0 1 GGAF C[C@H](Oc1cc(=O)oc2ccccc12)C(=O)Nc1cccc2c(=O)[nH]ccc12 95576177 SIQKIHDMMSXZHB-LBPRGKRZSA-N 376.368 3.041 0 1 GGAF CCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(F)c2)CC1 95579495 AMFHRDQSGJPBOQ-UHFFFAOYSA-N 386.467 3.498 0 1 GGAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587075089 AXIKMOVPEPIVLB-UHFFFAOYSA-N 376.811 3.353 0 1 GGAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(F)cc(Br)c2[nH]1 586960950 DRFQBXBDHAOHEK-YFKPBYRVSA-N 384.234 3.396 0 1 GGAF O=C(/C=C/c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)Nc1ccccc1 587244331 NYGHLXJTBGBDCD-VAWYXSNFSA-N 386.415 3.274 0 1 GGAF O=C1c2ccc(O)cc2O[C@@](c2cccs2)(C(O)O)[C@H]1c1ccc(F)cc1 587371327 BYRFTJIUIVFBMP-FXAWDEMLSA-N 386.400 3.158 0 1 GGAF CCOC(=O)C(=O)C[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587795227 IBELWXCDVROTSX-MLCYQJTMSA-N 398.272 3.250 0 1 GGAF Nc1cnccc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655590 AKNGOODCTMQAMH-UHFFFAOYSA-N 378.338 3.007 0 1 GGAF CN1[C@@H]2COC[C@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334621 FOJGLTMVAICAMV-LVOPSTRXSA-N 383.419 3.122 0 1 GGAF COC(=O)C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586235 JMQNOYSHZIDKAP-SIKLNZKXSA-N 391.379 3.207 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCO)(c2ccc(O)cc2)N1 587827385 NQWSJNWAMWHILF-ZMZPIMSZSA-N 380.257 3.454 0 1 GGAF O=Cc1cc(C=O)c(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587608873 NBMDAFSESUSOES-XMSQKQJNSA-N 390.347 3.426 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(O)cc2)(C(=O)O)N1 587831802 IHMUEYUXJZUUAY-MGNBDDOMSA-N 394.240 3.351 0 1 GGAF CCOC(=O)[C@@H]1CCCCCC[C@@]12N[C@H](C(=O)O)Cc1ccc(O)c(C)c12 963511065 SPCKOXSGRBSFRI-CKJXQJPGSA-N 375.465 3.028 0 1 GGAF CN1CC2=C(C1=O)[C@H](c1ccc(F)c(Br)c1)C1=C(O)CCC1=N2 13579985 YIGJRKCCUZVEJT-CQSZACIVSA-N 377.213 3.458 0 1 GGAF CN1O[C@](C)(CC(=O)NCc2cccc(C(F)(F)F)c2)N=C1c1ccco1 205228782 IOFJLUIAQBCHGW-QGZVFWFLSA-N 381.354 3.345 0 3 GGAF O=C1C[C@@H](c2ccc(-c3cc[nH]n3)s2)c2cc(N3CCNC3=O)ccc2N1 1857597515 UGZNEGXKULPTKF-CYBMUJFWSA-N 379.445 3.142 0 1 GGAF COc1ccccc1N=c1[nH][nH]c2ccc(NC(=O)[C@@H]3CCC[C@H](N)C3)cc12 1857746353 HIDWMKJBUOIBEK-KGLIPLIRSA-N 379.464 3.193 0 1 GGAF C[C@H](Sc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2)n1C)C(=O)O 4167484 CRGWCHJVKVUYFJ-LBPRGKRZSA-N 382.445 3.300 0 1 GGAF COCC(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 4354112 CYSIOVXNKCFVJU-UHFFFAOYSA-N 382.372 3.041 0 3 GGAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(/C=C\I)cc1)N2 100937100 GZWPHROGQGOESZ-NGXFXHBHSA-N 397.256 3.489 0 1 GGAF COc1ccc(Cl)cc1CN(C)CC(=O)/N=c1\cc[nH]n1[C@@H](C)C1CC1 102144219 AUBIFAZDABKEHM-SRHUDTFWSA-N 376.888 3.009 0 1 GGAF O=C(Nc1ccccc1)c1cc([C@@H]2COCCN2C(=O)c2cccs2)on1 61904551 GLJAZGDCXPFKKX-HNNXBMFYSA-N 383.429 3.202 0 3 GGAF COc1cc([C@H]2OC(c3cccc(N(C)C)c3)=NN2C(C)=O)cc(OC)c1OC 27518488 WCYKSSISVCSVCU-OAQYLSRUSA-N 399.447 3.018 0 1 GGAF COC(=O)C[C@@H]1c2ccccc2N=C(N2CCN(C)CC2)N1c1ccccc1 26998050 RVUNLJDKHJPFTR-HXUWFJFHSA-N 378.476 3.046 0 1 GGAF CC(=O)OC[C@]1(O)OC[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 118919810 YXPQDCQGNXNNDX-HLDYIICOSA-N 392.536 3.268 0 1 GGAF O=C(CCCN1CCN(C[C@@H]2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 22456852 UHYVILBATXSTKS-QGZVFWFLSA-N 398.478 3.445 0 1 GGAF CC(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 36188192 ZPPFNZLFERYCOZ-UHFFFAOYSA-N 383.883 3.168 0 1 GGAF C[S@](=O)c1ccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)cc1 34804175 BHWYZMVAIXGZSN-MUUNZHRXSA-N 390.420 3.315 0 1 GGAF CC(=O)CCCCC(=O)N1CCN(c2nccc(Oc3cccc(C)c3)n2)CC1 39300774 VMTQEBFTRUMALB-UHFFFAOYSA-N 396.491 3.375 0 1 GGAF O=C1NCCN1c1ccc(S(=O)(=O)Oc2cc(Cl)cc(Cl)c2)cc1 72107464 IFTUPFGIBWJZOI-UHFFFAOYSA-N 387.244 3.291 0 1 GGAF COc1cccc([C@@H]2CNC[C@H]2C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)c1 49109308 QGLWCJJKZQZWHR-DLBZAZTESA-N 397.862 3.132 0 1 GGAF Cc1nc(-c2ccc(C#N)cn2)cc(N2CC(c3nc4ccccc4n3C)C2)n1 143112490 FCKGSFOWBFWMTB-UHFFFAOYSA-N 381.443 3.209 0 1 GGAF CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)NCc3ccccc3)C(=O)[C@H]21 253676413 DXHRWRQLRWGVBH-ZWJWXYIHSA-N 397.544 3.035 0 1 GGAF O=C(NC(=O)C(F)(F)F)Nc1ccc(Br)cc1Br 68573117 BMKIQOFTOZOYFA-UHFFFAOYSA-N 389.953 3.422 0 1 GGAF biogenic CN(C)c1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccn1 587659696 AWWRYGCYOQQIGC-UHFFFAOYSA-N 388.402 3.352 0 1 GGAF CS(=O)(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587079873 LMXIUWQSTZAVMC-AWEZNQCLSA-N 388.880 3.344 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1 587176077 LUAPXWJVYCFACY-UHFFFAOYSA-N 396.875 3.372 0 1 GGAF COC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1C 587575910 GWHXBMVKQIJCEX-AVRDEDQJSA-N 393.395 3.394 0 1 GGAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OCC(=O)O 587373470 DJKPLNDJRRUIGQ-OAHLLOKOSA-N 391.807 3.409 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(O)c(C(=O)O)cc31)CC2=O 587488227 HVNSNNLHTKFIMS-OAQYLSRUSA-N 383.400 3.341 0 1 GGAF COC(=O)c1cccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c12 587037960 OHLRUSLLSYGZMP-JTQLQIEISA-N 397.460 3.097 0 1 GGAF COc1ccc(-c2nc3cc(OC)ncc3[nH]2)c(I)c1 587180407 QEWWMAXLIUXBKV-UHFFFAOYSA-N 381.173 3.247 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2ccnn2C)N1 587760077 NYWWZHVKJDCYGW-AJFWZDNWSA-N 393.304 3.175 0 1 GGAF NC(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1 587018852 AJITVOCQKRGEHE-UHFFFAOYSA-N 383.458 3.023 0 1 GGAF O=C(Nc1nc(Cc2nc3c(Cl)ncnc3[nH]2)cs1)c1cccs1 587019583 OWWXBCHQQILQRA-UHFFFAOYSA-N 376.854 3.367 0 1 GGAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cnc(Cl)[nH]c-2n1 587199067 YKQFKHAFYGZFCE-UHFFFAOYSA-N 378.823 3.484 0 1 GGAF CC(=O)n1[nH]c(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1=O 586989412 IAQDMRHDVJETLL-UHFFFAOYSA-N 385.379 3.277 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NCc1ccco1 587869547 MBXNPQPJLPRFDF-UHFFFAOYSA-N 382.367 3.488 0 1 GGAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cnc(-c2cnccn2)s1 963063084 ZCCCIKQBGBVXPV-LJQANCHMSA-N 375.457 3.392 0 1 GGAF CCc1ccc2c(c1)[C@@]1(C(=O)N2C)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962634679 WNRRKYYZUKFYSD-FATZIPQQSA-N 380.488 3.363 0 1 GGAF COCCOC[C@]1(C(C)(C)C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962971778 SWRDAKHDXYOGLH-ACJLOTCBSA-N 391.842 3.122 0 1 GGAF CCOC(=O)C[C@]1(C2CCOCC2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962557574 AFGCFUSFGWTDHN-QRQCRPRQSA-N 391.508 3.155 0 1 GGAF COCCCCn1c(C(=O)N(CC(C)C)[C@H]2CCCNC2)nc2ccccc21 116132748 QYDUTVWSUIIEQU-SFHVURJKSA-N 386.540 3.313 0 1 GGAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C[S@@](=O)CC(=O)N2CCCCC2)C1 13584886 UYZIOAGSIQKHRT-AZZGJVAJSA-N 396.984 3.137 0 1 GGAF COc1ccc(Nc2ccc(Nc3ccccc3NC3=NNC(=O)C3)nn2)cc1 169310459 CBJVHPWKAWLLPM-UHFFFAOYSA-N 389.419 3.218 0 1 GGAF O=C(NCCCNCc1c[nH]c2ncccc12)c1cc(-c2ccccc2)on1 201711514 LOMILVHAIBDSHC-UHFFFAOYSA-N 375.432 3.128 0 1 GGAF Cc1c([C@H](C)n2cnc3ncc(-c4cnn(CCO)c4)nc32)ccc2ncccc12 1857616374 INZRTZKUXIIXQH-HNNXBMFYSA-N 399.458 3.148 0 1 GGAF CC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccc(F)cc1 2456295 AISFVIHYFYQLFO-QGZVFWFLSA-N 377.213 3.478 0 3 GGAF CC[C@H](C(=O)N[C@H](C)CCc1ccco1)n1nc(C)n2c(cc3occc32)c1=O 4101707 LVPZABFKBVHVAB-CZUORRHYSA-N 396.447 3.232 0 3 GGAF CCOC(=O)C1=C(OCC)C(=O)O[C@H]1C1=C(Cl)c2cc(Cl)ccc2OC1 1911583909 LMRKZDOPPKAZJB-HNNXBMFYSA-N 399.226 3.461 0 1 GGAF COc1ccc2c(c1)-c1cc(OC)c(OC)cc1[C@@H]1CN3CCC[C@H]3[C@@H](O)[C@H]21 1911584529 BJNCGSCVPRHTNV-BZRIBIQUSA-N 381.472 3.399 0 1 GGAF O=C(c1ccc(F)cc1)[C@](O)(Cn1cnnc1)c1ccc(Cl)cc1Cl 26008630 MTERYGHIOZDAJF-KRWDZBQOSA-N 380.206 3.495 0 1 GGAF O=C(c1cccnc1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 64559831 AQIDBTIRISFWQF-UHFFFAOYSA-N 385.895 3.242 0 1 GGAF CS(=O)(=O)Nc1ccc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)cc1 72184680 DIQVZOXRQZBNGP-LJQANCHMSA-N 388.876 3.391 0 1 GGAF O=C(O)C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccccc21 73200141 AVNPCXVWJBWVNP-CYBMUJFWSA-N 399.390 3.468 0 1 GGAF CCC[C@@H]1C[C@H](OCC)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40914938 VDLXNDODVYULCA-ZBFHGGJFSA-N 380.876 3.481 0 1 GGAF OCCN1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 139014695 IXXZWVVVDONLGV-UHFFFAOYSA-N 391.475 3.127 0 1 GGAF O=C(O)Cn1c2c(c3cc(C(=O)O)ccc31)CCN(Cc1ccccc1)C2=S 82150511 SPDAXODNFKUFLT-UHFFFAOYSA-N 394.452 3.158 0 1 GGAF Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)c(F)c2)cn1 84668955 IXQWDPOYUPQACG-UHFFFAOYSA-N 395.365 3.427 0 1 GGAF C[C@@H](CO)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82070554 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382.233 3.112 0 1 GGAF CC1=C(c2ccc3nc([C@H](O)[C@@H](C)c4ccc(C)cc4)[nH]c3c2)NNC(=O)C1 586893094 UQIDNMJBQRLZKN-LHSJRXKWSA-N 376.460 3.464 0 1 GGAF COC(=O)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccc(F)c(F)c1 587649818 LCNIEAGDTLTSRX-UHFFFAOYSA-N 379.384 3.232 0 1 GGAF O=C(c1n[nH]cc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655404 GBMPOZYPYUBBRR-UHFFFAOYSA-N 386.745 3.407 0 1 GGAF Cn1nc(C(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587557732 SPDWRVNNOBIZCM-SUMWQHHRSA-N 388.326 3.472 0 1 GGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)cc1 586939704 RPRSKPZPENLOII-APPDUMDISA-N 387.465 3.030 0 1 GGAF NC(=O)c1ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2c1 587018027 RBCLFOURXCPQOO-UHFFFAOYSA-N 386.440 3.499 0 1 GGAF CC(C)(C)C(=O)OCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nn1 587517463 NUDMBOWLQVDEBZ-SFHVURJKSA-N 383.448 3.410 0 1 GGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C)c(F)cc2[nH]1 586965132 QRLXIKKWUSFRJS-UHFFFAOYSA-N 385.472 3.467 0 1 GGAF NC(=O)c1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c1 586921665 KLBFPCNPBGLLJQ-UHFFFAOYSA-N 391.452 3.303 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(F)ccc12 587736908 XGJIVRHCOCUDLJ-WNWIJWBNSA-N 379.204 3.457 0 1 GGAF COc1cc2nc(Cl)nc(NS(=O)(=O)c3ccccc3)c2cc1OC 1772632288 ZPCUIMPDNMSRPV-UHFFFAOYSA-N 379.825 3.101 0 1 GGAF COC(=O)CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 13672453 KIFABODNEJDDQW-UHFFFAOYSA-N 399.794 3.083 0 1 GGAF COc1cc2c3c4c1O[C@@]1(C)c5c(cc(O)c(c5-4)O[C@@]3(C)N(C)CC2)CCN1C 16919017 VPQDNNIKXNLIMG-PKTZIBPZSA-N 394.471 3.174 0 1 GGAF biogenic CCNC[C@@H]1[C@H]2C=C[C@H]3[N@]([C@@H]2[C@H](c2ccc(C=O)cc2)C2CCCCC2)[C@@]13O 2356366771 PZVOQJJAHWFYHS-JMIDSPFKSA-N 380.532 3.330 0 1 GGAF COc1ccc([C@@H]2C[C@@H](c3cc(OC)c(OC)c(OC)c3)N3NN=NC3=N2)cc1 2913993 SCVULIPSZWUGMJ-HOTGVXAUSA-N 397.435 3.451 0 1 GGAF O=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc(-c2nnn[nH]2)cc1Cl 3937846 CCAFTABFVHQSJG-UHFFFAOYSA-N 395.181 3.275 0 1 GGAF C[C@H]1CCCCN1C(=O)Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21 4118779 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393.439 3.155 0 1 GGAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)OCCCCN(C)C)co1 82073458 GBHUBUWGEBVYAJ-LJQANCHMSA-N 399.491 3.140 0 1 GGAF CC(C)CNC(=O)[C@H](Cc1c[nH]cn1)Nc1nc(-c2ccc(F)cc2)cs1 82192148 NNXRPOOFOMLCAL-INIZCTEOSA-N 387.484 3.468 0 1 GGAF Cc1nnc([C@@H]2CC[C@H]2c2nc3c(cnn3C3CCC(F)(F)CC3)c(=O)[nH]2)o1 145052193 ZXSJUQVAKAUCSW-VXGBXAGGSA-N 390.394 3.223 0 1 GGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CN(C)C(=O)CC2CC2)cc1 95895784 YSSXVWIIEMOJRT-ACFQDFHCSA-N 396.531 3.044 0 1 GGAF CCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccc(Cl)cc3)C[C@@H]21 95894151 MFUNPCSXQBQZQG-NLWGTHIKSA-N 399.878 3.457 0 3 GGAF CC[C@H]1CN(S(=O)(=O)c2ccccc2)CC[C@@H]1CC(=O)NCc1ccco1 25427797 XVTYLYBRBQRSJO-DLBZAZTESA-N 390.505 3.023 0 1 GGAF biogenic c1ccc(CN2CC[C@H]3CN(c4ncnc5oc(-c6cccnc6)nc45)C[C@H]32)cc1 261139441 MVBXUSCMBDMSDB-RBUKOAKNSA-N 398.470 3.391 0 1 GGAF COC(=O)c1ccc(CN2C[C@@H]3C[C@@H](c4ccccc4)N4CCC[C@]34C2=O)cc1 263590553 VHSBPLZKTOPEQX-AWRGLXIESA-N 390.483 3.411 0 3 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(CNCC(F)(F)F)c2cn1)c1ccccc1 261187604 XYYPPTHCDMJYGA-LLVKDONJSA-N 392.385 3.493 0 1 GGAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cncc(Cl)c2[nH]1 586946430 XNUARHKURHRSIZ-UHFFFAOYSA-N 394.865 3.411 0 1 GGAF CCOC(=O)c1c[nH]nc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587801039 COLKBGWIXRVFHW-CLAHSXSESA-N 382.233 3.112 0 1 GGAF O=S(=O)(Nc1ccccc1-c1nc2cncnc2[nH]1)c1cc(F)ccc1F 587140869 HGJWFUJPAILCGD-UHFFFAOYSA-N 387.371 3.099 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCn3nc(C(=O)O)cc32)N1 587798302 UKFJQDHRBCYVQH-HUTHGQBESA-N 394.244 3.055 0 1 GGAF COc1cc(Br)c([C@H](N)c2nc3c(C)nc(C)cc3[nH]2)cc1OC 586977178 YUUSHVDQQXPIFH-HNNXBMFYSA-N 391.269 3.403 0 1 GGAF Cc1ccc(C)c(S(=O)(=O)n2cc(CN3CCN(C)CC3)c3ccccc32)c1 1772582080 MNOIOAYKPXKZQQ-UHFFFAOYSA-N 397.544 3.243 0 1 GGAF O=C(O[C@H]1CN2CCC1CC2)N1C[C@H](O)c2ccccc2[C@H]1c1ccccc1 13674444 LRNNBJBAUXSVMH-FDFHNCONSA-N 378.472 3.356 0 1 GGAF CCCCCCC(=O)CCCCCC/C=C/CC[C@H](O)[C@](N)(CO)C(=O)O 14611827 CYGFHEVFZXDUGH-YVRUHCSNSA-N 385.545 3.338 0 1 GGAF COc1cc(CNc2nc3nc4c(c(O)n3n2)CCCC4)ccc1OC(C)C 15669043 VDUTYZPGORPVOJ-UHFFFAOYSA-N 383.452 3.117 0 1 GGAF COC(=O)[C@H]1[C@@H](c2cccc(I)c2)C[C@H]2CC[C@@H]1N2C 165884540 XUBVUMLIQBPHGD-KBXIAJHMSA-N 385.245 3.031 0 1 GGAF Cc1c(C(=O)NC2CC2)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12 2459719 FGVJFMJSAMWSKG-UHFFFAOYSA-N 376.478 3.198 0 3 GGAF COc1cc([C@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc2c1OCO2 6483720 FHVJDYZMZCJFRZ-WZBLMQSHSA-N 384.384 3.228 0 1 GGAF biogenic,in-vitro CC[C@H](C)O[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 58522963 WSZQVSPKYXOCEM-DVOMOZLQSA-N 380.876 3.479 0 1 GGAF CCOCCn1cnc2sc(C(=O)NCCC3=CCCCC3)c(C)c2c1=O 8662444 XULXIRSHPZINKQ-UHFFFAOYSA-N 389.521 3.423 0 1 GGAF Cn1cc(-c2cnn3c(NC4CCCCC4)cc([C@H]4CCCNC4)nc23)cn1 66100202 YFUPVKKUYMTHFV-HNNXBMFYSA-N 379.512 3.341 0 1 GGAF O=S1(=O)CCC(CNc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1 113133959 PBFNIXSYURIUFG-UHFFFAOYSA-N 390.896 3.286 0 1 GGAF N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H](CC(=O)O)C3=O)c(Cl)c1 27302546 CZEAWFMLBALEFP-NSHDSACASA-N 399.834 3.096 0 1 GGAF C[C@@H]1CC[C@H]2CC3=C(C(=O)O)[C@H](O)C[C@]31[C@]2(C)CNC(=N)NC1CCCCC1 2356769396 CRYRHDNRSJLOHC-JKUVYLEDSA-N 389.540 3.021 0 1 GGAF O=C1CS(=O)(=O)N(Cc2ccccc2F)c2ccc(Br)cc21 61943366 NMYWTUNWHKGUFZ-UHFFFAOYSA-N 384.226 3.121 0 3 GGAF CC/C=C\C[C@@H](O)/C=C/C=C\C[C@H](O)/C=C/C=C/C=C/[C@@H](O)CCC(=O)O 149495445 QBTJOLCUKWLTIC-CGQPTKSVSA-N 376.493 3.461 0 1 GGAF Cc1ccc(CN2C[C@H](N3CCC(c4ccccc4)CC3)CS2(=O)=O)cc1 95604650 IDQXKHUDBWTDOV-QFIPXVFZSA-N 384.545 3.389 0 3 GGAF COc1cc2c3c(c1)O[C@@]1(C(C(=O)O)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O 587423045 SUFIXLYTAIBOLK-RNODOKPDSA-N 384.771 3.352 0 1 GGAF COc1cccc(C(=O)c2ccc(-c3nc4nc(=N)[nH]c(Cl)c4[nH]3)cc2)c1 587933265 WVOCPCOQVHWOQN-UHFFFAOYSA-N 379.807 3.325 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc(O)cc1 587606358 DPQDUJGCDDGQAW-UWJYYQICSA-N 378.336 3.040 0 1 GGAF COc1ccc([C@]2(Cc3ccncn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587394855 KOLKLJNXTSVFBH-QFIPXVFZSA-N 375.428 3.479 0 1 GGAF COC(=O)c1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1 587029446 OSUXUOUONXIKJE-UHFFFAOYSA-N 380.429 3.499 0 1 GGAF Cn1ncc(Cl)c1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657209 QRNMNFAVTDRHGM-UHFFFAOYSA-N 382.782 3.278 0 1 GGAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2nc(Br)c[nH]c-2n1 587041558 XPTDENFHKLGPJL-ZETCQYMHSA-N 386.275 3.050 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)N=c1nc(C)o[nH]1 587866386 ZNLLFCYXRFYPHI-UHFFFAOYSA-N 381.314 3.161 0 1 GGAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(C)c(C)c3[nH]2)c1 587231349 NPYUPJMWXRMWAP-UHFFFAOYSA-N 394.475 3.127 0 1 GGAF CCOC(=O)C[C@@]1(c2n[nH]c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587396016 ILYJKTACXXQTAA-OAQYLSRUSA-N 379.416 3.267 0 1 GGAF N[C@@H]1Cc2ccccc2[C@@]12N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963175708 MITIIIIUHUVQSZ-NUJGCVRESA-N 396.796 3.085 0 1 GGAF COC(=O)C[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccc(F)cc1F)[C@@H]23 1772637133 YKABVPODCGVSCI-RWCSOYMTSA-N 378.463 3.203 0 1 GGAF O=C(O)[C@@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)OCc1ccccc1 13446619 RLYGGVZJEYKXNF-FQEVSTJZSA-N 391.427 3.080 0 1 GGAF CC(=O)O[C@@H]1[C@H](C)C[C@H]2[C@@H]3[C@@H]4O[C@H](/C=C(\C)[C@H](O)CC[C@]4(C)OC[C@@H]2C)[C@@H]31 169292938 QQUBMUOPSYDXCO-HGBHYJALSA-N 378.509 3.100 0 1 GGAF COc1ccc(NC(=O)c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)cn1 166439337 WFLUFDLRKVGJFU-UHFFFAOYSA-N 389.415 3.285 0 1 GGAF O=C(O)C[C@@H]1COc2cc(OCc3cn(-c4cccc(Cl)c4)nn3)ccc21 1857539314 UFWFTFAMMCLFBB-GFCCVEGCSA-N 385.807 3.450 0 1 GGAF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)C)[C@H](C)C(=O)N3C)cc1 1857747541 STEIGLAGBTVCDC-OAHLLOKOSA-N 387.505 3.376 0 1 GGAF COc1ccc(CCNC(=O)NC(=O)c2cccc(Br)c2)cc1 1857773051 RCJARKKBETXZJB-UHFFFAOYSA-N 377.238 3.140 0 1 GGAF COc1cc(O)c(C(=O)O[C@@H](C)CCCC(=O)O)c(C=CCCC(=O)O)c1 2356348932 MCUNKRJPMLTYCD-LBPRGKRZSA-N 380.393 3.079 0 1 GGAF Cc1ccc(NC(=O)c2sc3[nH]c(=O)c(C(=O)O)cc3c2N)cc1Cl 6727955 FULDIYJVKZLGMX-UHFFFAOYSA-N 377.809 3.084 0 1 GGAF Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)N1CCC1 29038034 VZJCDUVIHBZYEA-SJLPKXTDSA-N 376.522 3.042 0 1 GGAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)C4CCOCC4)C[C@@H]2N3)cc1 100107076 UMYIJXRAGHLOHB-JKHIJQBDSA-N 376.500 3.355 0 1 GGAF CC(C)[C@H]1C(O)=C(C2=NS(=O)(=O)c3ccccc32)C(=O)N1Cc1ccccc1 100035503 XKOAFAIRGVAHRA-IBGZPJMESA-N 396.468 3.057 0 1 GGAF in-vivo C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@]12Cc1c(O)cc(CO)c(CO)c1O2 2356614771 HKXDGWGXOYVXIO-ZULQPEFCSA-N 390.520 3.284 0 1 GGAF CCOc1ccc2nc(CN3CC[C@@H](N4CCCCCC4)[C@H](O)C3)ccc2c1 39544085 KKKQLYCJLHSLEP-DHIUTWEWSA-N 383.536 3.445 0 1 GGAF CC[C@H]1CN(S(=O)(=O)c2ccccc2)CC[C@H]1CC(=O)Nc1nccs1 5412894 VUMJAFYTKARSDT-GJZGRUSLSA-N 393.534 3.209 0 1 GGAF biogenic O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCN2Cc1ccccc1 220256774 BSLPKPPAMRXZEA-UHFFFAOYSA-N 387.486 3.343 0 1 GGAF COc1cc(OC)cc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)c1 221950033 SEXORTRSFJQYEV-SFHVURJKSA-N 396.226 3.423 0 1 GGAF COC(=O)/C(=C1\OC(=O)C(c2ccc(OC)cc2)=C1O)c1ccc(OC)cc1 95910757 VEJPFWDEGBXEMC-ZPHPHTNESA-N 382.368 3.114 0 1 GGAF biogenic,in-vitro C[C@@H](Oc1cc(-c2cnn(C(F)F)c2)cc2nscc12)[C@H]1CNC(=O)O1 473119841 BSFUHMDTDNBQOX-XLKFXECMSA-N 380.376 3.431 0 1 GGAF Cc1cnc(Cl)c2[nH]c(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)nc12 587023773 IJOKVFDQLYTIEA-UHFFFAOYSA-N 380.861 3.131 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CS(=O)(=O)c1ccccc12 587609849 AIHHQBNURPDJDW-WIYYLYMNSA-N 394.404 3.037 0 1 GGAF COC(=O)[C@@H]1CSCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587618662 PMDJZDZEPHQYLR-RISOHXOYSA-N 386.425 3.019 0 1 GGAF CC1=C(c2ccc3nc([C@@H](CN)Cc4ccc(Cl)cc4)[nH]c3c2)NNC(=O)C1 587071144 WSYWZCQAIXRHIY-OAHLLOKOSA-N 395.894 3.257 0 1 GGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)cnc2[nH]1 587193755 GMLOIYJRTTYMKM-NSHDSACASA-N 387.406 3.494 0 1 GGAF CCCc1c(O)ccc2c1O[C@H](c1cccc(NS(C)(=O)=O)c1)CC2=O 587488367 QHVWPMSFWBMXFH-SFHVURJKSA-N 375.446 3.423 0 1 GGAF NCCOCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587245215 QDGPDJKTHSVBFI-UHFFFAOYSA-N 376.254 3.380 0 1 GGAF CC(C)CCOc1cc2nc(-c3c[nH]c(=N)nc3O)[nH]c2cc1Br 587253220 FAKQNWWFDUDKPY-UHFFFAOYSA-N 392.257 3.325 0 1 GGAF Cc1ccc(-n2cnnc2SCc2nc3cccc(C(N)=O)c3[nH]2)cc1Cl 586968335 QJBLOHZVBSLEBY-UHFFFAOYSA-N 398.879 3.497 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCC(=O)O)(c1ccc3c(c1)OCCO3)O2 587406923 FSZRLRCIANVEKK-JOCHJYFZSA-N 397.427 3.464 0 1 GGAF COC(=O)C[C@@]1(c2cccc(OC)c2OC)CC(=O)c2cc(C)cc(N)c2O1 587400711 SEYQHXRUZOCKSR-OAQYLSRUSA-N 385.416 3.018 0 1 GGAF COc1cncc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc12 587125429 QJAHHDHVOYRAFP-UHFFFAOYSA-N 386.355 3.203 0 1 GGAF Cc1ccc(-n2ccnc2SCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(C)c1 586967141 XBFAIGKEVDIGBM-UHFFFAOYSA-N 385.884 3.465 0 1 GGAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)cc2N1 587124575 MVNIHMPLWDXUDI-CPFSXVBKSA-N 392.341 3.065 0 1 GGAF COC(=O)c1ccccc1-n1cccc1[C@H]1NCCc2c(C(=O)O)cccc21 963131609 AFVKXVCPROMODH-FQEVSTJZSA-N 376.412 3.197 0 1 GGAF CCOC(=O)C1([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)CCC1 962660265 GIAFXKCKEOZMEM-GMAHTHKFSA-N 396.487 3.282 0 1 GGAF COc1cc2nc(CCc3nc4cc(OC)c(OC)cc4[nH]3)[nH]c2cc1OC 13281724 OMUNAGZLLHKPOT-UHFFFAOYSA-N 382.420 3.259 0 1 GGAF O=S(=O)(c1ccc(F)cc1)c1cnc2c(F)cccc2c1N1CCOCC1 201537262 JEEOOVQLMLQTAT-UHFFFAOYSA-N 390.411 3.182 0 1 GGAF Cc1cc(C(=O)Nc2ccc3c(C(=O)c4ccccc4)c(O)n(O)c3c2)no1 3626143 SUZYZAUFEBEJFW-UHFFFAOYSA-N 377.356 3.364 0 1 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4153404 DTKSZSPICJDKHO-FKPGQJDZSA-N 398.459 3.190 0 1 GGAF Cn1c(CO[C@H]2CN(Cc3ccc4c(c3)OCCO4)C[C@@H]2F)nc2ccccc21 2356299337 GPGGCUBFGFNWGY-KKSFZXQISA-N 397.450 3.084 0 1 GGAF CCNC(=O)Oc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1 66259598 JGJCTTZJTMDYQZ-UHFFFAOYSA-N 395.503 3.118 0 1 GGAF CCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCO3)c(O)cc1OCC(=O)O 3984092 FUXXWCYQFIBYPK-UHFFFAOYSA-N 382.372 3.204 0 1 GGAF biogenic CNc1nc2[nH]c(-c3cccc(CNC(=O)CC(C)C)n3)cc2c2c1ncn2C 73157079 FLJKYIFRYKRSRM-UHFFFAOYSA-N 391.479 3.216 0 1 GGAF Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H](C(=O)NC[C@H]2CCCO2)C1 71341433 NMRMEFHQDDESCE-RTBURBONSA-N 383.492 3.157 0 1 GGAF Cc1cccc([C@@H]2CNC[C@H]2C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)c1 49037711 SVBMNLGNCADSMP-DLBZAZTESA-N 381.863 3.432 0 1 GGAF Cc1ccccc1[C@@H]1CCc2c(C(=O)N(C)CCO)cc3c(nc(C)n3C)c2O1 49088416 OHLNRZXMTAUVDU-FQEVSTJZSA-N 393.487 3.321 0 1 GGAF CCCCC[C@H](O)/C=C/[C@H]1OC(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 238774776 SRJHRLWLWLZJOG-FPAHMTFJSA-N 382.497 3.066 0 1 GGAF CCOc1ccc2nc(N3CCC[C@H](C(=O)NC[C@H]4CCCO4)C3)sc2c1 253989048 GKZXSAISVVNISS-GOEBONIOSA-N 389.521 3.207 0 3 GGAF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587971245 XGGOPEUTKRJYHD-QDMKHBRRSA-N 379.397 3.338 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2NC(=O)c3ccccc3N2)N1 587795260 NZIABNRLYHPSSY-XQJGPMGFSA-N 390.256 3.345 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]1OC1CN(C(=O)OC(C)(C)C)C1)O2 587397360 ZYEDPIOKQZKFPZ-UWJYYQICSA-N 388.464 3.080 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CS(=O)(=O)c3ccccc32)N1 587848072 ZFUHMXHEJRRGPJ-QGHHPUGFSA-N 396.281 3.153 0 1 GGAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cn(C)c2ccccc12 587638916 XTRTXEHNBJBYIC-UHFFFAOYSA-N 376.368 3.375 0 1 GGAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc4c(cc3[nH]2)OCCO4)C(F)(F)C1 587132498 REJOPEGTOXCNOC-JTQLQIEISA-N 381.379 3.304 0 1 GGAF O=C1CN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CCN1 587516120 XXIBHDUWJIUGDO-OAQYLSRUSA-N 376.456 3.208 0 1 GGAF N=c1nc(-c2ccccc2Cl)c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c[nH]1 587060525 GWINWAIYXHCYRV-MRXNPFEDSA-N 379.811 3.477 0 1 GGAF CCOC(=O)c1coc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587775207 PQVOSHKTVGYRQO-RTHLEPHNSA-N 383.217 3.377 0 1 GGAF CC(C)(C)c1[nH]cnc1[C@@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962648817 XBJIDRSDHRWTIO-HTAPYJJXSA-N 378.476 3.443 0 1 GGAF CC(C)N1CCC([C@@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)CC1 962642046 QUYICAPBFVSLHO-YOEHRIQHSA-N 386.414 3.346 0 1 GGAF CCOC(=O)[C@@]1(c2ccsc2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962622353 BSNCRGXJZGGBSK-RNODOKPDSA-N 375.490 3.448 0 1 GGAF CNC(=O)c1cccc(Nc2ncnc(N3CCc4cc(Cl)ccc4C3)n2)c1 1772639822 HSTJZIYMLSXNKI-UHFFFAOYSA-N 394.866 3.191 0 1 GGAF COc1cc(-c2nnc3ccc(-c4cccc(N)c4)nn23)cc(OC)c1OC 1772589877 LNCZDPHZLFHURV-UHFFFAOYSA-N 377.404 3.066 0 1 GGAF CN1CCN(Cc2ccc(-c3[nH]nc4nc(-c5ccc(O)cc5)ccc34)o2)CC1 1857589858 CYXBFUKXGATSHQ-UHFFFAOYSA-N 389.459 3.338 0 1 GGAF O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl 4296595 KQNBMLBEURZIPA-RDJZCZTQSA-N 397.233 3.333 0 1 GGAF Cc1cc(C)cc(Sc2c(C)c(=O)[nH]c(=O)n2OCCc2ccccc2)c1 6521938 BJUINRQBXRFFBD-UHFFFAOYSA-N 382.485 3.284 0 1 GGAF CC=CC=CCC[C@]12OCC[C@@H]3OC[C@](OC(=O)c4ccccc4N)(CO1)[C@@H]32 2356326170 VBMCKMSEFYEVBY-MXNKGDRCSA-N 385.460 3.239 0 1 GGAF N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](NC(=O)Nc2cccc3ccccc23)C1 27988558 LRINXVSRRIIMQL-QKLQHJQFSA-N 380.492 3.080 0 1 GGAF O=C(O)[C@@H](CCC(=O)N1c2ccccc2C[C@@H]1C(=O)O)CCc1ccccc1 28263573 YDLSLXIGMPNXTQ-VQIMIIECSA-N 381.428 3.143 0 1 GGAF O=C1c2ccccc2S(=O)(=O)c2cc(-c3nnc(C(F)(F)F)o3)ccc21 29544600 FAWYGGSBADLZNA-UHFFFAOYSA-N 380.303 3.133 0 1 GGAF CN(C)[C]1C=CC(c2noc([C@@H]3CCCN3Cc3ccc(F)c(F)c3)n2)=CN1 2356829862 DSZAYJIXCOYCGZ-KRWDZBQOSA-N 386.426 3.236 0 1 GGAF CC(C)(C)OC(=O)NOCC(=O)N(CC(=O)c1ccccc1)Cc1ccccc1 36384227 YZWGVZDHQQGJTB-UHFFFAOYSA-N 398.459 3.354 0 3 GGAF Cc1ccc(NN2C(=O)O[C@@](C)(c3ccc(Br)nc3)C2=O)cc1 72106036 QPFVNXMYLORZND-INIZCTEOSA-N 376.210 3.374 0 1 GGAF OCCN1CCC(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1 33973827 HMORDCLVSQCEPB-UHFFFAOYSA-N 383.883 3.359 0 1 GGAF Cc1ccc(CN2CCN(Cc3ccc4cc(F)ccc4n3)C[C@H]2CCO)o1 36385647 XHBSOWIPCGRDOZ-HXUWFJFHSA-N 383.467 3.344 0 3 GGAF CC(C)c1c(O)c2c3c(c1O)C(=O)C[C@H](C(C)(C)C(=O)O)[C@]3(C)CC(=O)O2 13339254 QQOYFHLAUCOYFF-SBKAZYGRSA-N 376.405 3.101 0 1 GGAF biogenic COc1ccc(CNc2ncnc3c2ncn3[C@@H]2CCCCO2)c(OC)c1OC 40918484 PKYRMSUQQKXWRJ-HNNXBMFYSA-N 399.451 3.163 0 1 GGAF Cc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2C)o1 82177437 YKLLQZXYXGDJAM-OAHLLOKOSA-N 377.448 3.117 0 1 GGAF COc1cccc(-c2csc(N3CCC[C@H]3C(=O)NC[C@@H]3CCCO3)n2)c1 82193489 OMHYWULASJMRRB-WMZOPIPTSA-N 387.505 3.083 0 1 GGAF Cc1ccc(N2CCCC2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)n1 226086736 HIBBJGYGOWTPSM-FHWLQOOXSA-N 392.503 3.457 0 1 GGAF O=C(C1CC1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccc(Cl)c1)C2 95668595 AFRZOONIFUJXDF-LEWJYISDSA-N 396.918 3.291 0 1 GGAF CC(C)Cc1nc(-c2c[nH]c(=O)c(Cl)c2)n(-c2cccc3c2OCCO3)n1 96285472 ADJRVHQGKHBURM-UHFFFAOYSA-N 386.839 3.246 0 1 GGAF COc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CCCO1 299820960 RIEMXJMKVGFKQM-YYIAUSFCSA-N 378.900 3.253 0 1 GGAF CC(C)N1CC([N+](=O)[O-])=C2N(C[C@H]3CCC[C@H]3N2Cc2ccc(Cl)nc2)C1 299847980 ZMVBXAQMCRBSAB-HZPDHXFCSA-N 391.903 3.149 0 1 GGAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1 587247842 UWXQNOQCZPEYJB-UHFFFAOYSA-N 381.399 3.458 0 1 GGAF CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4cccc5c4c(c3[C@@H]2[C@H]1C(=O)O)CC5 587213176 UDUXBCLDGLNSEM-WILYLXEWSA-N 380.444 3.293 0 1 GGAF CC(=O)Nc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581664 WYNJHOLKIOQLDA-FXAWDEMLSA-N 376.368 3.449 0 1 GGAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c[nH]c(=N)cc4[nH]3)cc2)c1C 586947314 LUEZRASBDPQXKI-UHFFFAOYSA-N 393.472 3.455 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587441171 RSNRIJMPCVASDC-FPTDNZKUSA-N 390.395 3.345 0 1 GGAF Sc1nc(S)c2nc(CCNc3ccc(Br)cc3)[nH]c2n1 586994873 AOIDPZHGYRHBCP-UHFFFAOYSA-N 382.312 3.347 0 1 GGAF CNC(=O)[C@H]1C[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587235874 RLCJEKZUHZZEOD-RQJHMYQMSA-N 378.148 3.074 0 1 GGAF COCCCN1CCc2ccc(OC)cc2[C@]12CCc1c2ccc(OC)c1N 961327029 SMDXTZIRJPXKKM-HSZRJFAPSA-N 382.504 3.370 0 1 GGAF CCOC(=O)CCCCC[C@@]1(C2CC2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963506974 GRIIWNDOXBZQGR-JTSKRJEESA-N 389.492 3.418 0 1 GGAF Cc1cc(C(=O)NCc2cccc(C(=O)NCC3CC3)c2)ccc1-c1cn[nH]c1 1772603630 CPEWUKOGQOXNMY-UHFFFAOYSA-N 388.471 3.455 0 1 GGAF CC(C)(C)c1cc(/C=C2\CCN(C(=O)NO)S2(=O)=O)cc(C(C)(C)C)c1O 13558279 HBLHCOZURWTMAO-UKTHLTGXSA-N 396.509 3.462 0 1 GGAF Cc1ccc(-c2ccc3c(c2)COCC(=O)N3CCN2CCOCC2)cc1C 205207930 RWADRHDBNXELFU-UHFFFAOYSA-N 380.488 3.166 0 3 GGAF O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(-c3cccnc3)ccc1-2 209698585 LOGTVGSQLHBGKF-GOSISDBHSA-N 375.428 3.086 0 1 GGAF Cc1ccc([C@@H]2C[C@@H](SC3CCCC3)[C@H](C(=O)O)CN2S(C)(=O)=O)cc1 1857607365 BDEWRLGWZXWOPJ-FGTMMUONSA-N 397.562 3.447 0 1 GGAF O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(CCOc2cccnc2)CC1 205942617 WLZJPWTZSKWVGS-UHFFFAOYSA-N 384.867 3.053 0 1 GGAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CCOCC2)cc1 767125 MOFQPBJLCHSQHM-FPOVZHCZSA-N 380.444 3.036 0 1 GGAF O=C(NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1)n1c(=O)[nH]c2ccccc21 100649643 LISZRGLNFQGDBY-ROUUACIJSA-N 376.460 3.083 0 1 GGAF CCOC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CCC2)CC1=O 28109651 ZQVXNRZJCUAGKU-LOCCHRAXSA-N 397.515 3.219 0 1 GGAF CCN1CCC[C@H]1CNC(=O)c1c(Cl)c(Br)cc(O)c1OC 64448354 HIUHIPDXUUSPDY-VIFPVBQESA-N 391.693 3.031 0 1 GGAF C[C@H](CCO)N(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 28129043 BLWJSOSTWMPKFJ-CYBMUJFWSA-N 391.899 3.093 0 1 GGAF O=C1[C@H]2C[C@@H](CN2C(=O)c2ccccc2)Oc2ccccc2N1Cc1cccnc1 2356473829 RLGUJHXJKRHSTA-PZJWPPBQSA-N 399.450 3.291 0 1 GGAF O=C(CN1CCC(c2cccc[n+]2[O-])CC1)Nc1cccc(OC(F)(F)F)c1 38149995 BXFVNILYDIGYSV-UHFFFAOYSA-N 395.381 3.037 0 1 GGAF O[C@H](CN1CCN(C/C=C/c2ccccc2)CC1)Cn1ccc2ccccc21 40847049 GYTNYRGVRBYSAX-MFJULSPGSA-N 375.516 3.333 0 1 GGAF COc1ccc(Oc2nc(NCc3cccc(C)c3)nc(N(C)CCO)n2)cc1 82065820 ZGHHIVZHZFIYHV-UHFFFAOYSA-N 395.463 3.022 0 1 GGAF CC[C@H]1C[C@@H]2C[C@H]3C4=Nc5ccc(OC)cc5[C@@]4(O)CCN([C@@H]13)[C@@H]2CC(C)=O 238786898 BJSOUJIBHFZILQ-CTNXWAPESA-N 382.504 3.457 0 1 GGAF Cc1ccc(OC(=O)C2=Cc3c(Br)cccc3S2(=O)=O)cc1 473158298 WBIGXQOVUILBMX-UHFFFAOYSA-N 379.231 3.491 0 1 GGAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 299879051 KEOIJLXDGIJWID-HEFCMCLBSA-N 385.895 3.498 0 1 GGAF COC(=O)c1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cn1 587023641 SDUXUSDVRSURCJ-UHFFFAOYSA-N 375.410 3.215 0 1 GGAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)CC)cc2[nH]1 586962570 GMPHQDIDQPHXFO-AWEZNQCLSA-N 392.506 3.404 0 1 GGAF CCS(=O)(=O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 587164791 AJLWMDGIHVDFCW-UHFFFAOYSA-N 384.436 3.407 0 1 GGAF CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)F 587622962 VNBPZOAKMMMQJM-UHFFFAOYSA-N 386.152 3.431 0 1 GGAF COc1cccc2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598594 YFZDZGYTIWLFPZ-JTSKRJEESA-N 389.363 3.210 0 1 GGAF CCOC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]n1 587795827 OTZSCYCNGTUBSX-ANRSDYALSA-N 382.233 3.112 0 1 GGAF COc1cc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2cc1F 587203139 ONKBRCOJXSKZJC-HNNXBMFYSA-N 387.367 3.153 0 1 GGAF CC[C@@H](c1nc2ccc(C)nc2[nH]1)n1cc(I)c(C)n1 587185101 PYBUPYSWAUDCLO-LBPRGKRZSA-N 381.221 3.375 0 1 GGAF O=C([C@@H]1Cc2ccccc2[C@@H](c2ccc(-n3cncn3)c(F)c2)N1)C(F)(F)F 962762412 IYTHHMLSJFZFBD-DOTOQJQBSA-N 390.340 3.142 0 1 GGAF COc1ccccc1C[C@@H]1N2CCC(CC2)[C@]12NCCc1c2c(C(C)C)nn1C 962914226 DOFYEIYPSXHCBF-URXFXBBRSA-N 394.563 3.230 0 1 GGAF C[C@]1(c2c[nH]c3ccccc3c2=O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730335 NHPFMBOYEXEKJO-XLIONFOSSA-N 386.373 3.437 0 1 GGAF CC(C)(C)OC(=O)NCCC[C@@]1(C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963220570 DWHKBOUJALWROV-PGRDOPGGSA-N 399.491 3.354 0 1 GGAF Cc1cncc(C(=O)Nc2cccc(CN3CCC(C(=O)NC(C)C)CC3)c2)c1 1772578775 NSVBQLKUVFTMTE-UHFFFAOYSA-N 394.519 3.379 0 1 GGAF N=C(N)c1ccc(-c2nc3ccc(-c4nc5ccc(C(=N)N)cc5[nH]4)cc3[nH]2)cc1 5974176 YEJMAZMIHIFTFO-UHFFFAOYSA-N 394.442 3.341 0 1 GGAF in-vitro COc1ccc(NC(=O)C2CCN(c3nccn4ccnc34)CC2)cc1Cl 1857539635 ZIXREJUQQIIMAT-UHFFFAOYSA-N 385.855 3.246 0 1 GGAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1nccn1C)CCCCC3 1857589313 UNLZEWFVUPKZRX-INIZCTEOSA-N 382.464 3.028 0 1 GGAF Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NS(C)(=O)=O 327351700 FINCOTCIWCFCLS-UHFFFAOYSA-N 383.813 3.180 0 1 GGAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCN1CCOCC1 4213443 RGVBPKLUYFPVEZ-OALUTQOASA-N 393.553 3.210 0 1 GGAF O=C(c1cn(CCNc2ccnc3cc(Cl)ccc23)nn1)[C@@H]1CCCCO1 1911579686 VQKHTEFHSSGPFO-SFHVURJKSA-N 385.855 3.344 0 1 GGAF O=C(C(=O)N1CCCC[C@H]1C(=O)NCCCCc1ccccc1)c1ccccc1 27109968 WBIQPCVZTHPEHR-NRFANRHFSA-N 392.499 3.390 0 1 GGAF CNc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)c1 116589100 GDOBXOFLRCXLNU-KDOFPFPSSA-N 381.501 3.402 0 1 GGAF COc1cc2c(cc1OP(=O)(O)O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 28870295 DHEVNSPRWMAORF-SSTWWWIQSA-N 382.393 3.384 0 1 GGAF COC(=O)[C@H](C)NC(=O)c1ccc(C(=O)N(C(C)C)C(C)C)cc1OC(C)C 28771465 ATVRXBYMRWSAHQ-HNNXBMFYSA-N 392.496 3.024 0 1 GGAF CC(C)CCn1c(CN2C(=O)CS(=O)(=O)c3ccccc32)nc2ccccc21 28824541 PWRCAKDCTIYKLC-UHFFFAOYSA-N 397.500 3.403 0 1 GGAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)NCc1cscn1 26573876 RWSYXMXTNYGOSS-HNNXBMFYSA-N 397.541 3.294 0 1 GGAF Cc1cnc(N)c(CNC(=S)Nc2ccc(NC(=O)OC(C)(C)C)cc2)n1 71280776 LHXWADILMLDNGD-UHFFFAOYSA-N 388.497 3.201 0 1 GGAF c1cc(C2=NCCN2)ccc1NCCCCCNc1ccc(C2=NCCN2)cc1 40953617 MAZXCNRRWUUAKJ-UHFFFAOYSA-N 390.535 3.081 0 1 GGAF Cc1cc(Cl)cnc1C(=O)Nc1ccc2c(c1)[C@]1(COC(N)=N1)C1(CC1)CO2 149357346 UGPKGDXAPPRVIR-HXUWFJFHSA-N 398.850 3.009 0 1 GGAF CCOC(=O)C[C@@]1(C)Oc2ccccc2N1S(=O)(=O)c1ccc(C)cc1 95570546 NAIFWFZHKTYMRC-LJQANCHMSA-N 375.446 3.252 0 3 GGAF Oc1nc(O)c2ccc(CCc3c[nH]c4ccc(Br)cc34)nc2n1 587366843 QRQZKDLATFBDRT-UHFFFAOYSA-N 385.221 3.465 0 1 GGAF O=C(O)[C@H](Oc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)c1ccccc1 587556573 WNTGFJOMULLUMJ-QGZVFWFLSA-N 389.367 3.308 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cn2)OCCO3)N1 587779150 QMKYWSLAEAIEGM-HUTHGQBESA-N 379.229 3.378 0 1 GGAF COC(=O)Cn1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587758363 WTHZXICEJLSVCZ-DYZYQPBXSA-N 381.245 3.186 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(F)ccc(F)c12 587573240 YLQQEPSVEVKQSU-HRAATJIYSA-N 395.317 3.480 0 1 GGAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)C1 587968953 JGNKTHFURBJZOQ-SJLPKXTDSA-N 398.551 3.243 0 1 GGAF CCCCNC(=O)c1onc(CSc2ccccn2)c1C(=O)NCCCC 12476742 XQDFJWNEKMFEGK-UHFFFAOYSA-N 390.509 3.422 0 3 GGAF Cc1c(CC(N)=O)c2c(OCCCC(=O)O)cccc2n1Cc1ccccc1 13445825 FMBBESBFVOSQSS-UHFFFAOYSA-N 380.444 3.269 0 1 GGAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 13447522 CODRVQGKDHKTDZ-JSXRDJHFSA-N 379.456 3.438 0 1 GGAF O=C(O)C[C@@H]1C(=O)N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 13601296 MTVDIOCXHVILPT-HNNXBMFYSA-N 377.318 3.446 0 1 GGAF CC(C)C(C/C=C1/C[C@](CO)(COC(=O)c2ccccc2O)OC1=O)C(C)C 13704162 LOLIYBRBTHMUFG-NYBOLYEOSA-N 390.476 3.472 0 1 GGAF Cc1ccc2c(c1)[C@H]([C@@]1(O)C(=O)N(Cc3ccccc3)c3ccccc31)C(=O)N2C 206045861 POLPZLJIRFYYTH-WIOPSUGQSA-N 398.462 3.490 0 3 GGAF O=C1c2cc3c(cc2C2(CC2)N1CCC1CCN(Cc2ccc[nH]2)CC1)OCO3 206576220 XTNUCTCDCABRAH-UHFFFAOYSA-N 393.487 3.491 0 1 GGAF OC[C@@H]1CCCN1c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1 207362096 AQXSKRPPRFKVSP-KRWDZBQOSA-N 386.459 3.496 0 1 GGAF N#CN1CCC[C@](F)(C(=O)N=c2cc(-c3cccc(C(F)(F)F)c3)o[nH]2)C1 1857564096 GASOLBZQLHSNGV-MRXNPFEDSA-N 382.317 3.006 0 1 GGAF FC(F)(F)c1cccc(N2CCC(NC(=S)Nc3cccnc3)CC2)n1 1857596686 UMLPWAPRKRKOFN-UHFFFAOYSA-N 381.427 3.451 0 1 GGAF O=C(CCc1cccc2c1B(O)OC2)Nc1cccc(-c2cccc(F)c2)c1 1857610534 AFDIZNRQTVHBCP-UHFFFAOYSA-N 375.208 3.282 0 1 GGAF O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 767195 CNVWIPAUAMJMCG-SJBKTWHCSA-N 390.439 3.091 0 1 GGAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCC(C)(C)CO 767252 MWFJZGSQBDIFLS-FPOVZHCZSA-N 396.487 3.312 0 1 GGAF CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)cc1OC 777209 BKTPDZPFXHSDLT-LBPRGKRZSA-N 376.453 3.157 0 1 GGAF CSCC[C@@H](NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1)C(=O)O 8488397 NTJKURAXZRNXPI-QGZVFWFLSA-N 397.452 3.396 0 1 GGAF biogenic CSc1nn(-c2ccccc2)c2nc3n(-c4ccccc4F)cnn3c(=O)c12 103210747 WSRZVWRWXSGNEP-UHFFFAOYSA-N 392.419 3.080 0 1 GGAF COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](OC(C)=O)C2)cc1OC 88264360 RUPYYTQCIFYKNJ-VAMGGRTRSA-N 391.508 3.212 0 1 GGAF COc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 195347529 SMIGNKQHTMRRFG-NSMLZSOPSA-N 388.423 3.259 0 1 GGAF CC[C@H](C1CC1)n1nc(C)nc(Nc2ccc(OC)nc2C(F)(F)F)c1=O 49036431 FFWHWKFBSHLABO-GFCCVEGCSA-N 383.374 3.474 0 1 GGAF CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1N 95553708 YHALWHDRODYYNZ-CQSZACIVSA-N 393.534 3.431 0 1 GGAF COc1cc2c(cc1OC)-c1c3[n+](cn1CC2)CCc1cc(OC)c(OC)cc1-3 299823177 KMGQGURGWRZNCV-UHFFFAOYSA-N 393.463 3.256 0 1 GGAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(F)c(F)c3)c2)c1 653895431 JWIHWUHGPIGDBA-UHFFFAOYSA-N 383.354 3.290 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2cnn(C)c2)N1 587761681 CEEAPVINOMAUDK-PLAVVLRSSA-N 393.304 3.175 0 1 GGAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586974943 YVPPIRAHLJFKII-MSOLQXFVSA-N 383.477 3.397 0 1 GGAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccc(Cl)nc4[nH]3)n2)cc1 587113805 UGTQAASTYAUGHS-UHFFFAOYSA-N 379.733 3.332 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2[C@H]3C[C@@H]4[C@@H]2C2(OCCO2)[C@@H]2[C@H]4[C@@H]3[C@H]21 587493780 VTKVSYQZXFSTIP-XYOTZGDTSA-N 394.467 3.180 0 1 GGAF COC(=O)c1ccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1 587036920 BIKBCZQIGCTFDT-SNVBAGLBSA-N 397.460 3.097 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795231 IBELWXCDVROTSX-YPMLDQLKSA-N 398.272 3.250 0 1 GGAF CCOC(=O)[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585525 FJJZYJYHMQUVON-AVRDEDQJSA-N 391.379 3.207 0 1 GGAF Ic1cccc2nc(Cc3csc4nccn34)[nH]c12 587040792 QTMCDZHFANKJFL-UHFFFAOYSA-N 380.214 3.468 0 1 GGAF CCOC(=O)[C@@H]1CSCC[C@@]12c1cccc(Br)c1CCN2C 963270692 QSRNYSFHWPUULN-WMLDXEAASA-N 384.339 3.449 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@H](c3ccc(OCCn4ccnc4)cc3)c3cccc1c32 963032840 TXPDRARDYRSNFR-UZUQRXQVSA-N 388.471 3.105 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@H](c3c(Br)ccnc3F)c3cccc1c32 963022660 HILOHSIUHCCWOE-ABKXIKBNSA-N 376.229 3.126 0 1 GGAF COc1ccc2c(c1)OC(C)(C)C[C@]21N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963524206 JTGKDSUXJYRAPI-AOMKIAJQSA-N 383.444 3.113 0 1 GGAF Cn1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1 962923100 MCTGKXWHRHWBOF-RBBKRZOGSA-N 378.428 3.385 0 1 GGAF CN1C(O)=C(C(=O)Nc2ccccc2Cl)c2cc(Cl)ccc2S1(=O)=O 13605522 ZMIZKLFUKIHSJC-UHFFFAOYSA-N 399.255 3.493 0 1 GGAF CC1(C)N=C(N)N=C(N)N1c1cccc(OCC23CC4CC(CC(C4)C2)C3)c1 13740726 RSSJVHOWPFYJAW-UHFFFAOYSA-N 381.524 3.467 0 1 GGAF O=S(=O)(c1ccc(F)cc1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 205211832 XNAIXMNDYUNKAB-WFASDCNBSA-N 398.818 3.042 0 3 GGAF COc1ccc(NC(=S)N2CCN(C(=O)Cc3ccccc3)C[C@H]2C)cc1 1857601934 UCMMQAJETVAATD-MRXNPFEDSA-N 383.517 3.167 0 1 GGAF O=C(Cc1ccccc1)N1N=C(c2cccc(F)c2F)C[C@@]1(O)C(F)(F)F 1857638093 GNAQYKGESZKCBB-QGZVFWFLSA-N 384.304 3.395 0 1 GGAF COc1ccc(C(=O)Nc2ccccc2NC(=O)c2cccc(C(=N)N)c2)cc1 582061 NOOVJCBSJJOLQS-UHFFFAOYSA-N 388.427 3.484 0 1 GGAF CN(C)C(=O)c1ccc(-c2nc(NC3CCNCC3)c3ccccc3n2)cc1 4239277 WUWPYCMVMNTIOK-UHFFFAOYSA-N 375.476 3.163 0 1 GGAF Cc1ccc(S(=O)(=O)[C@H](CC(=O)N2CCCC2)C(=O)c2ccccc2)cc1 6487618 RSPMBLHHEOXXMK-LJQANCHMSA-N 385.485 3.033 0 1 GGAF CC1(C)C[C@H]2C[C@](C)(CN2C(=O)COC(=O)c2cncc(Br)c2)C1 7782383 HVMFGZJHVDABCZ-KSSFIOAISA-N 395.297 3.428 0 1 GGAF Cc1sc2nc3[nH]c(CC(=O)Nc4ccc(Cl)cc4)nn3c(=O)c2c1C 103085354 UCTWPTSICSNGEK-UHFFFAOYSA-N 387.852 3.084 0 1 GGAF CC(=O)NCc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 114035983 CDKZHWZCXRRPDX-NRFANRHFSA-N 377.492 3.276 0 1 GGAF C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 22941259 JIFUZIJTCAAWNY-QGZVFWFLSA-N 383.923 3.435 0 1 GGAF C[C@H](C(=O)NC(C)(C)C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@H]2[C@@H]1O 2356833440 KGCTXUWYGUPIRS-ARVUEOQASA-N 392.584 3.255 0 1 GGAF CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccs3)CC2)c(Cl)c1 71281124 FZGDIJFXZWIPLO-UHFFFAOYSA-N 394.884 3.327 0 1 GGAF CCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@@H](C(C)C)N2 82206193 PFJHBSVYBFNHTJ-INIZCTEOSA-N 382.464 3.228 0 1 GGAF CC(C)C(=O)N(C)c1cc(C(=O)N[C@@H](C)CO)cc(-c2ccc(Cl)cn2)c1 144248879 YZKZJOZDGPVBHX-ZDUSSCGKSA-N 389.883 3.131 0 1 GGAF c1cncc(-n2c(CO[C@H]3CCCCO3)nnc2SC[C@@H]2CCCCO2)c1 618017170 HKRNNDQIHQIUNP-WMZOPIPTSA-N 390.509 3.367 0 1 GGAF CCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N3CCC3)c2n1 653861183 VKMCUJOFJWFRGS-UHFFFAOYSA-N 378.476 3.305 0 1 GGAF CCOC(=O)c1cc(Br)c2[nH]c(C[S@](=O)CC3CC3)nc2c1 586958841 JLFSQGFUHPIPHW-JOCHJYFZSA-N 385.283 3.161 0 1 GGAF Cc1cc(Br)c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1F 587137572 BPTGYTUTKRMELS-UHFFFAOYSA-N 384.230 3.087 0 1 GGAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(C)(C)C 587206254 VZFDLLYJMAPCDS-HNNXBMFYSA-N 388.468 3.376 0 1 GGAF C[C@]1(CC(=O)NCc2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576775 IBZGMUVRHFRYCJ-DENIHFKCSA-N 393.395 3.412 0 1 GGAF CCOC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]n1 587795830 OTZSCYCNGTUBSX-AYVTZFPOSA-N 382.233 3.112 0 1 GGAF Brc1cccc(N2CC[C@@]3(C2)NCCc2nc4ccccn4c23)c1 962981951 IKQVMXPZGKYMRT-IBGZPJMESA-N 383.293 3.348 0 1 GGAF Cc1ccc(N/C(O)=N/[C@@H]2OC(=O)C(Br)=C2Br)cc1 3102207 YWTIQFSRJNLIIT-SNVBAGLBSA-N 390.031 3.205 0 1 GGAF COc1ccc([C@@H]2Oc3cc(OC)ccc3[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 14727934 SAVFTKLIFMRXNW-PCCBWWKXSA-N 386.400 3.373 0 1 GGAF biogenic CC(C)[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCC2)CC1 19446037 RXMIHCPPBJJSCO-HXUWFJFHSA-N 386.519 3.118 0 3 GGAF O=C(Nc1ccc(C(=O)N2CC3(CCCNC3)C2)cc1)N1Cc2ccccc2C1 167180263 JIQJUCZRRNKPHV-UHFFFAOYSA-N 390.487 3.060 0 1 GGAF CC(=O)Nc1ncc(CN2CC[C@@]3(CCN(c4ncc(C)cc4C)C3)C2)s1 1857560473 RROPSOUKMJSJQR-HXUWFJFHSA-N 385.537 3.216 0 1 GGAF CCC(=O)OC[C@]1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]13CC[C@@H](C[C@H]12)[C@](O)(CO)C3 1857591771 IGBYOQPBCPTACT-NDSNRMTASA-N 392.536 3.255 0 1 GGAF CCCCNC(=O)c1c(NC(=O)c2cccc(OC)c2)nc2ccc(C)cn12 1857620405 RAKZYGZFRQDONH-UHFFFAOYSA-N 380.448 3.434 0 1 GGAF CC1(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)CCC1 148548559 AQNYEONNGFSLAA-INIZCTEOSA-N 386.517 3.360 0 1 GGAF O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1)N1CCOCC1 772222 QYPXEDWLDCWRBG-RDJZCZTQSA-N 376.865 3.352 0 1 GGAF COCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 2373618 BTQHUBANESWOGV-UXHICEINSA-N 379.456 3.408 0 1 GGAF Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccccc2)c1=O 6161074 HHTWBYZBXRLCTP-UHFFFAOYSA-N 389.499 3.124 0 1 GGAF C[C@@H]1COCCN1c1cc([C@@](C)(O)C(C)(C)C)c2ccnc(-c3cc[nH]n3)c2n1 1911580133 JEKFZLKMYTUJAS-JLCFBVMHSA-N 395.507 3.499 0 1 GGAF C[C@H]1OCC[C@H]2Oc3ccc(-c4cccnc4F)cc3[C@@]3(CSC(N)=N3)[C@H]12 103251758 XSHDYYXRYMABRT-ZMTUXBBYSA-N 385.464 3.331 0 1 GGAF c1cc(CN2CCOCC2)cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1 114772093 IFGKQZUPPRJIAZ-UHFFFAOYSA-N 394.475 3.015 0 1 GGAF COc1ccc2c(c1)C[C@@H](C(=O)N1CCc3[nH]nc(-c4ccccc4)c3C1)CO2 20363428 DLCMRSBQMKGFBZ-QGZVFWFLSA-N 389.455 3.221 0 1 GGAF O=C1Nc2c(cc(Br)c(Br)c2Br)C1=O 28642140 IDGPYCSCVAFDEH-UHFFFAOYSA-N 383.821 3.109 0 1 GGAF COC1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)CC1 225567087 ZZRDOQNASJKWCE-UHFFFAOYSA-N 389.463 3.036 0 1 GGAF CCOC(=O)C(=O)Cc1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586989666 OCHOEUIANBRKMB-UHFFFAOYSA-N 375.380 3.135 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)OCC)(CC(=O)OCC)CC2=O 587477425 CFDAMTFIJHNDBM-OAQYLSRUSA-N 392.448 3.345 0 1 GGAF COC(=O)Cn1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577032 LNCIDODEYXWPPP-WIYYLYMNSA-N 379.368 3.070 0 1 GGAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc5c(cc4[nH]1)OCC(=O)N5)(C3)C2 587949994 HXFCJDHKKKYTBO-GWEVUABKSA-N 381.432 3.047 0 1 GGAF CCOC(=O)c1c(Cc2cccc(F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587649888 MKTVCXDWRLTKIB-UHFFFAOYSA-N 375.421 3.478 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2=CC=CN3C=CN[C@@H]23)N1 587790907 KDGUQADWEKDILR-AFBMGJRZSA-N 376.273 3.494 0 1 GGAF NS(=O)(=O)c1cccc2nc(-c3cc(Br)ccc3Cl)[nH]c12 586980625 YYHSTWCXVSWINR-UHFFFAOYSA-N 386.658 3.293 0 1 GGAF O=C1c2ccc(O)cc2O[C@@]2([C@@H]1c1ccc(F)cc1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 587348016 BXGWWVJLGJNRQK-IYGODTBCSA-N 380.371 3.226 0 1 GGAF O=C1C[C@]2(N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c2cc(Cl)ccc2O1 963228615 ICCCIJZRBIMLBV-UWJYYQICSA-N 394.814 3.040 0 1 GGAF CC(=O)Oc1ccccc1[C@@]1(C(F)(F)F)NCCc2c1c(C(C)C)nn2C 962915393 HSRRQEDRJVWLOF-GOSISDBHSA-N 381.398 3.420 0 1 GGAF CC[C@H](C)N1C(=O)C(C)(C)c2cnc(Nc3ccc(S(C)(=O)=O)cc3)nc21 1772577336 VKFAPZMMAANQCB-LBPRGKRZSA-N 388.493 3.046 0 1 GGAF CC1=Nc2nc(NS(=O)(=O)c3ccc(C)cc3)nn2[C@H](c2ccccc2)C1 13131113 KJLUUVUDOQPGGD-KRWDZBQOSA-N 381.461 3.473 0 1 GGAF COc1ccc([C@@H](NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c2ccccc2)cc1 169293717 VXINVOKFVSDVTO-DIZVHYTASA-N 377.440 3.424 0 1 GGAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2O[C@H]([C@H]3O[C@@H]23)[C@@H]1/C=C/[C@@H](O)C1CCCCC1 169341708 BLPTUHHFIMEDBU-GTPRBXNVSA-N 376.493 3.466 0 1 GGAF NS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2nsc(-c3cccc(F)c3)n2)cc1 1857652957 BANSQGQFIJKMLJ-LSDHHAIUSA-N 375.450 3.263 0 1 GGAF Cc1c(C(=O)N2CCCC2)oc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc12 2459684 XZQDEEAFEGNQEN-AWEZNQCLSA-N 390.505 3.398 0 1 GGAF CC(=O)O[C@@H]1c2ccc3c(c2[C@](O)(c2ccc4c(c2)OCO4)[C@H](C)[C@@H]1C)OCO3 2356341342 LWGQAENPDGXGNI-GHMXQYRFSA-N 398.411 3.270 0 1 GGAF O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)Nc1ccccc1C(F)(F)F 4145896 HIMOTPAEFIRMHB-CJXOWJITSA-N 380.366 3.065 0 1 GGAF CCc1c(O)n(C2CCCCC2)c(SCC(=O)N2CCCCC2)nc1=O 103569690 WDYYFDQYWTYAFE-UHFFFAOYSA-N 379.526 3.121 0 1 GGAF CCn1cnc2c(Nc3cccc(OC)c3)nc(N[C@H]3CC[C@H](O)CC3)nc21 100821311 WIQAYDNWTUCRTM-OTVXOJSOSA-N 382.468 3.314 0 1 GGAF CN(C)Cc1cn(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc12 29125722 PYBNUOOANGAZTF-UHFFFAOYSA-N 384.439 3.209 0 1 GGAF Cc1ccc2nc(CO[C@H]3CN(Cc4ccc(C(=O)O)cc4)C[C@@H]3F)[nH]c2c1 2356299810 OPJAVZGZWHPNPI-LPHOPBHVSA-N 383.423 3.309 0 1 GGAF COc1cccc(NC(=O)NCCCN2CCO[C@H](Cc3ccccc3)C2)c1 29399476 UUFVAZYXNZBVRH-OAQYLSRUSA-N 383.492 3.150 0 1 GGAF F[C@H]1CN(Cc2ccc3ccccc3n2)C[C@@H]1OCc1nc2cccnc2[nH]1 2356305321 VAJGDHKSULACSO-LPHOPBHVSA-N 377.423 3.245 0 1 GGAF O=C1/C(=C/c2ccc(Br)s2)N=C(S)N1CN1CCCCC1 33493176 HDMXDTZBZUFELG-FLIBITNWSA-N 386.340 3.423 0 1 GGAF COC(=O)NCc1cc(-c2sc(-c3cccnc3)nc2N2CCCCC2)n[nH]1 34340788 TVYQGQVCQQQZRF-UHFFFAOYSA-N 398.492 3.442 0 1 GGAF COC(=O)[C@@H]1C[C@@]2(Br)c3ccccc3N3C(=N)[C@H](C(C)(C)C)N1[C@H]32 45497219 RGUBGBHZZCMGKT-TVFIUFHYSA-N 392.297 3.076 0 1 GGAF CNCCC[C@H]1Cc2cc(F)ccc2N(c2c(F)cccc2F)S1(=O)=O 49792678 KPUDPAXPYHVNAD-AWEZNQCLSA-N 384.423 3.496 0 1 GGAF CC(C)CCNC(=O)[C@@H](C)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1 145975389 DERFIIKIOBAIAV-AWEZNQCLSA-N 385.464 3.124 0 1 GGAF COc1cc(C(=O)O)ccc1O[C@H](C)Cc1cc(OC)c(OC)c(OC)c1 49181061 HOXFNEPVXKQDSO-GFCCVEGCSA-N 376.405 3.429 0 1 GGAF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CS(=O)(=O)C2)N1 587844737 OWDFVHHYOUGEMR-HWPZZCPQSA-N 390.318 3.162 0 1 GGAF O=C(Cn1nc(C(F)F)cc1C(F)F)n1ncc2ccc(Cl)cc2c1=O 587651086 BSKULSMFGOQYEQ-UHFFFAOYSA-N 388.708 3.462 0 1 GGAF CCS(=O)(=O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587039699 DSHFWJOBGZVVAB-MSOLQXFVSA-N 387.530 3.303 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(N)=O)cc2)N1 587751903 ZYXKMAWWXOHENW-MGNBDDOMSA-N 393.256 3.076 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)CCO)nc2)N1 587739928 IOOAZQSFEJNRBY-BBATYDOGSA-N 394.288 3.035 0 1 GGAF C[C@@]1(c2nc3cc(Br)ncc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172011 DECMBOOAVKSLHH-INIZCTEOSA-N 376.185 3.488 0 1 GGAF CCn1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)c(C)n1 587649500 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Cc1cccc2c1OC[C@@H](CN1CCC(n3c(=O)[nH]c4cc(F)ccc43)CC1)O2 27900773 ZCRXPOKTXWIWHC-QGZVFWFLSA-N 397.450 3.254 0 1 GGAF COc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@H]32)n1 116824865 QKNCGIRCYXKJSV-FXAWDEMLSA-N 386.455 3.113 0 1 GGAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H](C)CO[C@]3(C)CC[C@H](O)C(C)=C[C@H]4O[C@H]3[C@@H]2[C@H]41 2356635972 QQUBMUOPSYDXCO-LORGUOCCSA-N 378.509 3.100 0 1 GGAF CNCCN(C)C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72181216 FQITYSWOYRJNCC-ZDUSSCGKSA-N 395.347 3.457 0 1 GGAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1 82132544 HHTRJDWWRCFYSQ-QFBILLFUSA-N 380.492 3.289 0 1 GGAF COCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1F 82217287 YLFXBHPYTLRTBC-GASCZTMLSA-N 386.471 3.141 0 1 GGAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2N2CCCC2)C1 95565242 UGDCBXBJMXTCBN-UHFFFAOYSA-N 399.804 3.207 0 1 GGAF CNC(=O)C1CCN(c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)CC1 143330875 CQTDCDPXNRPWJD-HXUWFJFHSA-N 390.405 3.428 0 1 GGAF CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(N)cc3)cc21 95561645 YZIRMUQKICQTDZ-QGZVFWFLSA-N 396.443 3.098 0 1 GGAF CCCCc1nc(Cl)c(COC)n1NC(=O)Cc1ccccc1C(=O)O 95613475 CQJBXTYNGFFOJX-UHFFFAOYSA-N 379.844 3.037 0 1 GGAF COC(=O)c1c(C(=O)OC)c2c(C)cc(C)cn2c1C(=O)c1ccc(OC)cc1 299825125 WRUCVLBDDYCPEJ-UHFFFAOYSA-N 395.411 3.369 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NC[C@@H](O)CC 299881586 OFOIALDYHPDZDC-NBHGPNQESA-N 382.460 3.064 0 1 GGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(C)c(Br)cnc2[nH]1 587231784 QVKAAEKMKNBFPX-NEPJUHHUSA-N 395.301 3.065 0 1 GGAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 587042103 IKKSYJCCCKJBBP-MRVPVSSYSA-N 387.278 3.480 0 1 GGAF O=S(=O)(Cc1nc2c(Br)cnc(Cl)c2[nH]1)C1CCCC1 586924221 LTSCNKMQEHLEHU-UHFFFAOYSA-N 378.679 3.231 0 1 GGAF CCOc1cc(/C=C/c2nc3c(O)ncnc3[nH]2)cc(Br)c1OC 586976968 DENHCYXKEIOJGY-SNAWJCMRSA-N 391.225 3.399 0 1 GGAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(O)ncnc4[nH]3)cc2)c1C 586947246 KODWXWARBFLSAG-UHFFFAOYSA-N 395.444 3.143 0 1 GGAF CCOC(=O)Cc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 587777620 VEOMOPQNHRWPTB-UHFFFAOYSA-N 378.388 3.394 0 1 GGAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cnc(Cl)[nH]c-2n1 587002056 IZNYXPGTUDLAAX-JTQLQIEISA-N 391.660 3.444 0 1 GGAF Oc1cccc2c1OCC(c1nc3ncc(I)cc3[nH]1)=C2 586907309 FMTLJLXFKJWEFU-UHFFFAOYSA-N 391.168 3.201 0 1 GGAF COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2Cn2ccnc2)cc1 587649760 BDRHFNLCWBKWLR-UHFFFAOYSA-N 381.457 3.492 0 1 GGAF COc1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2n1 587123151 BQPFFXFANUNJRS-UHFFFAOYSA-N 386.355 3.203 0 1 GGAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3c[nH]nc3C(F)(F)F)N12 962658879 DYQMQIPFZAGXBX-KSSFIOAISA-N 390.365 3.165 0 1 GGAF CC(C)(C)Nc1nc2ccccc2nc1Oc1ccc(C(=O)NCC(=O)O)cc1 1772616564 VMXVURMWEBVUCH-UHFFFAOYSA-N 394.431 3.447 0 1 GGAF Cc1ccccc1-c1nc(CN2CCC[C@@H](C(=O)NC[C@@H]3CCCO3)C2)c(C)o1 5055746 IIXBLWVBOZKUMB-MOPGFXCFSA-N 397.519 3.466 0 1 GGAF CC[C@H](O)[C@@H](CC)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 13975710 DXWFIHMYKMOOAL-CVEARBPZSA-N 383.500 3.376 0 1 GGAF CN1C(=O)NC(=O)/C(=C2\C[C@@H](c3cccc(O)c3)Sc3ccccc3N2)C1=O 15670695 ILIXYTNKXPZNMI-GDGUIRGDSA-N 395.440 3.004 0 1 GGAF N#Cc1ccccc1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21 205729985 VYQQWWDZSIBMCE-UHFFFAOYSA-N 398.469 3.346 0 1 GGAF O=C(NCc1cn(Cc2ccc(F)cc2)nn1)c1cc(-c2ccccc2)on1 1857535897 SDMIUZJOHYIGIG-UHFFFAOYSA-N 377.379 3.051 0 1 GGAF COc1ccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)on2)cc1OC 1857650024 LVZFTHAOXQBIPK-UHFFFAOYSA-N 390.342 3.315 0 1 GGAF COC(=O)c1c(NC(=O)[C@H]2CSC(c3ccncc3)=N2)sc(C)c1C 3030738 UIRPKONCPZJVFT-GFCCVEGCSA-N 375.475 3.047 0 1 GGAF CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOCCO)cc1 4049168 GSHFDKOQCZWYHV-RBBKRZOGSA-N 396.487 3.027 0 1 GGAF COc1ccc(-c2nc3cnc(OC)nc3n(CCc3ccccc3)c2=O)cc1 4238874 RJGFKDAQYWBFBL-UHFFFAOYSA-N 388.427 3.113 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)C[C@H](O)[C@@]32O)C1 2356469818 BTNNVJKPKCBODD-PTNUZCQYSA-N 390.520 3.172 0 1 GGAF COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCC2)[C@H]1c1cccs1 9432551 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299854175 VKFOXBUPASJWFA-QFIPXVFZSA-N 385.402 3.332 0 1 GGAF O=C(Nc1ncnc2[nH]cnc12)c1cccc(-c2cccc(-n3ccnc3)c2)c1 653798214 BOJDTGZTTFMWRE-UHFFFAOYSA-N 381.399 3.458 0 1 GGAF CCOC(=O)c1[nH]cnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587788870 AMENBUKILJQXLN-AMIZOPFISA-N 382.233 3.112 0 1 GGAF Cc1nccc2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc12 587184388 BGDWWFLVHONFEN-LBPRGKRZSA-N 378.217 3.113 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOC1(CCOCC1)C2 587613730 YOKAJWJMDYYLNH-GCJKJVERSA-N 382.412 3.452 0 1 GGAF CC[C@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587394839 JNSZVDXWJZWBNT-ZSEKCTLFSA-N 388.464 3.475 0 1 GGAF COc1cc2c3c(c1)O[C@](c1ccc(-c4ccccc4)cc1)(C(O)O)[C@@H](C2)C3=O 587449933 KJGKYTHCCFKAGD-CYFREDJKSA-N 388.419 3.316 0 1 GGAF COC(=O)c1ccc(-n2c(O)cc(-c3ccco3)c2O)c(O[C@H]2CCOC2)c1 587927778 YAHPIYOYICQRRT-ZDUSSCGKSA-N 385.372 3.103 0 1 GGAF CCOC(=O)[C@@H]1[C@@H]2CC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]21 587597985 SUEYDZLTNFRNIX-URYOQXOESA-N 380.396 3.312 0 1 GGAF N=c1[nH]c2nc(COc3ccccc3C3SCCS3)nc-2c(Cl)[nH]1 587043031 XIMRMFGOZBJQJG-UHFFFAOYSA-N 379.898 3.428 0 1 GGAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(Cl)ncc4[nH]3)n2)cc1 587111992 HLVXCKMYYRFVHF-UHFFFAOYSA-N 379.733 3.332 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1ccncn1 587585444 DTTMQRMZPVQDJP-NZQKXSOJSA-N 397.390 3.483 0 1 GGAF COc1ccc(Cc2nc3cc(I)cnc3[nH]2)c(F)c1 587148151 CKTGPXNRURIKPI-UHFFFAOYSA-N 383.164 3.301 0 1 GGAF Cc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2n1 587170383 ASGQPKRHFHIFTE-SFHVURJKSA-N 396.447 3.473 0 1 GGAF CC(C)c1nn(C)c2c1[C@H](c1cccn1[C@@H](Cc1ccccc1)C(=O)O)NCC2 962923291 YQRVNPYDGGEKAW-UGKGYDQZSA-N 392.503 3.449 0 1 GGAF CCOC(=O)C(=O)C[C@]1(c2ccccc2OCC)NCCc2cc(C)c(F)cc21 962294192 ATJTXBOTBFEWHC-HSZRJFAPSA-N 399.462 3.444 0 1 GGAF Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(COc2cccc3cnccc23)on1 15065005 RNSOFQAGKYGCHK-CYBMUJFWSA-N 391.431 3.335 0 3 GGAF OCC[C@H]1CN(Cc2ccc3ccccc3n2)CCN1CCc1ccccc1 19720696 JQWQBESBYPYLAM-QHCPKHFHSA-N 375.516 3.346 0 1 GGAF CC(=O)OC[C@H](O)[C@](O)(CO)[C@@H]1C[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]2(C)C1 2356390569 HDYYOZGCKVOQKY-ITVBJSIGSA-N 396.568 3.293 0 1 GGAF O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(O)cc2)cc1 115731285 KJMPZEBJZPBLBI-UHFFFAOYSA-N 397.452 3.482 0 1 GGAF COc1ccc(CN2C[C@H](F)[C@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)cn1 2356300494 WZJPGZRFNOFKGH-QFBILLFUSA-N 384.455 3.322 0 1 GGAF COc1ccc(Nc2ccc(F)c([C@]3(C)N=C(N)N(C)C(=O)C3(C)C)c2)cn1 114108685 FCFZJECWFCAWSP-FQEVSTJZSA-N 385.443 3.001 0 1 GGAF c1ccc([Si]2(c3ccccc3)CC[C@@H](N3CCN(c4ccccn4)CC3)C2)cc1 170112509 SMCJVXKJSZTJLE-JOCHJYFZSA-N 399.614 3.239 0 1 GGAF CC1=C2C[C@@H]3[C@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CCN(C2=CC=C[CH]N2)CC1 2356870070 XHDAYTBJGBFIAV-OEEHMVQOSA-N 396.555 3.225 0 1 GGAF COc1cc(-c2cnc3c(N4CCOCC4)snc3c2)ccc1OC(C)=O 223271871 RCQXJORNFIJQQR-UHFFFAOYSA-N 385.445 3.129 0 1 GGAF CC(=O)NCCn1c(-c2cccnc2)nc2c(NC3CCCCCC3)ncnc21 82190607 LRAISOWWDXNPAL-UHFFFAOYSA-N 393.495 3.159 0 1 GGAF COCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(F)cc1 82141465 IQVGROHYLXVQIR-GJZGRUSLSA-N 386.471 3.141 0 1 GGAF COc1ccc(-c2cc3ncccc3c(OC[C@@H]3CCC(=O)NC3)n2)cc1OC 141929434 SVSHDEJXIFAACT-CQSZACIVSA-N 393.443 3.219 0 1 GGAF OCCc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 587003210 QXYNAIRCJIPUFC-UHFFFAOYSA-N 385.265 3.453 0 1 GGAF CC(C)(C)OC(=O)N(Cc1nc2cccc(C(=O)O)c2[nH]1)C[C@@H]1CCCO1 587197954 YDBVKJBLXWLTHM-LBPRGKRZSA-N 375.425 3.177 0 1 GGAF COC(=O)[C@@]1(c2cn(C)c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429938 DYINYPFYJIMRJU-IVZQSRNASA-N 377.396 3.003 0 1 GGAF O=C1CCCCCN1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661609 SHZHKFKRNXVDPB-UHFFFAOYSA-N 393.418 3.245 0 1 GGAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 587076238 RPFCIKZGVHCPIL-UHFFFAOYSA-N 387.852 3.025 0 1 GGAF CN(C)C(=O)C[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587574200 VUVFRXHCNOXDNZ-DVXDUOKCSA-N 381.428 3.371 0 1 GGAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2nccc3cc[nH]c23)N1 962697084 KWGXURRIQWGJTA-DZGCQCFKSA-N 379.313 3.409 0 1 GGAF COc1cc2c(cc1OC)[C@@H](c1ccc(F)c(S(C)(=O)=O)c1)N(C)[C@@H](C)C2 962568659 LDYPSABKURUGAI-FKIZINRSSA-N 393.480 3.212 0 1 GGAF O=C(O)c1ccc([C@H](O)CNc2cc(Br)cc3[nH]ncc23)cc1 1772573279 SAKBYQTXJUZQMF-OAHLLOKOSA-N 376.210 3.169 0 1 GGAF CCOC(=O)[C@@]1(C)Oc2ccccc2C(c2ccc(OC)cc2)=C1C(=O)OC 13814245 SQDLQUVHRJQKTA-QFIPXVFZSA-N 382.412 3.384 0 3 GGAF O=c1[nH]c(Cc2ccccc2-c2ccncc2)nc2c1cnn2C1CCOCC1 169699871 GJZSQBZHKSJELT-UHFFFAOYSA-N 387.443 3.124 0 1 GGAF CN(CCCCn1c(O)c2n(c1=O)Cc1ccccc1C2)CCc1ccccc1 169718919 XAFUKBIQVKORBQ-UHFFFAOYSA-N 391.515 3.263 0 1 GGAF Clc1ccc2c(NCCNc3nccc(N4CCOCC4)n3)ccnc2c1 204938311 QOYANGFCNDIRAR-UHFFFAOYSA-N 384.871 3.039 0 1 GGAF COc1cc(NC(=O)C[C@@]2(C)N=C(c3cccc(OC)c3)N(C)O2)cc(OC)c1 205221975 OACXYLITCQVQSD-NRFANRHFSA-N 399.447 3.081 0 3 GGAF CC(C)(C)[C@@]1(O)C=C(O)C(=O)N1NC(=O)c1ccccc1Nc1ccccc1 1656802 WMUQHNIRFLEXMV-NRFANRHFSA-N 381.432 3.094 0 1 GGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCOC)c1 4050089 MCFZVCBHVUSWAW-CTNGQTDRSA-N 382.460 3.330 0 1 GGAF C[C@@H]1COCCN1c1cc(-c2cccnc2F)c2ccnc(-c3cc[nH]n3)c2n1 1911579499 IBZFTEIXMCWYFZ-CYBMUJFWSA-N 390.422 3.446 0 1 GGAF C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@@H]2[C@@H]1CC[C@@H]2CCC[C@H]2N1 2356431861 HODLMSIRHTYEFG-IEHFIUSYSA-N 378.516 3.081 0 1 GGAF COc1ccc(-c2ccc3c(c2)[C@@H]2C[C@H]4[C@@H](C(=O)N2CC3)[C@H](C)ON4C)cc1 61942585 ORZDXJBHXBUUTG-SVWBVHECSA-N 378.472 3.442 0 3 GGAF CN[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O 26836181 KHUBFFUIONROOT-FQEVSTJZSA-N 380.444 3.487 0 1 GGAF COc1ccc(N2C(=O)N/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1 73224285 ZJQUDIDRLKSHAC-ZROIWOOFSA-N 389.205 3.261 0 1 GGAF Cc1c(NCc2nnc(Nc3ccccc3)o2)c(=O)n(-c2ccccc2)n1C 73222929 VGZKBDIQAYNTOC-UHFFFAOYSA-N 376.420 3.223 0 1 GGAF CC(C)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCc1ccccn1 82082671 AGXAKZYVXGOXHW-QGZVFWFLSA-N 399.472 3.338 0 1 GGAF Cc1cc(C(=O)Nc2c(O)cccc2-c2nc3c(C(=O)O)cccc3o2)no1 40420649 ZBRJBLNDHJZRFG-UHFFFAOYSA-N 379.328 3.447 0 1 GGAF Cc1ccc(CN2CCN(C[C@@H](O)COc3ccc4c(c3)CCC4)CC2)cc1 45201176 KWDRLGSVLOIDMT-HSZRJFAPSA-N 380.532 3.041 0 1 GGAF COC(=O)Nc1nc2ccc([C@]3(O)c4ccccc4C(=O)N3CC(C)C)cc2[nH]1 222389868 SLRODZGRHFZXNW-NRFANRHFSA-N 394.431 3.046 0 1 GGAF O=C(CN1CCCN(Cc2nc3ccccc3[nH]2)CC1)Nc1ccc(Cl)cc1 49088175 YPHVDEBUZZGZRA-UHFFFAOYSA-N 397.910 3.363 0 1 GGAF COc1ccccc1OCCNC[C@H](O)COC12CC3CC(CC(C3)C1)C2 96939670 SDFVXODQGXDOCU-ONUXSRJRSA-N 375.509 3.010 0 1 GGAF COc1ccc(CC[C@H](C)N2C[C@H](c3cn(C)c4cnccc34)[C@@H](N)C2)cc1 253678819 QQEKXFZDMYYJRD-USCONSEESA-N 378.520 3.330 0 1 GGAF C[C@@H](Nc1nc(O)c2cnn(C3CCCC3)c2n1)C(=O)Nc1ccc(F)cc1 299822874 PHOLETOBPNCLGG-LLVKDONJSA-N 384.415 3.225 0 1 GGAF COC(=O)c1cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2cn1 587020030 CKVBTWHAEKSIJP-UHFFFAOYSA-N 389.437 3.139 0 1 GGAF COC(=O)c1ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2n1 587241968 MGSGTFNAGZVRQY-UHFFFAOYSA-N 384.392 3.464 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3nn[nH]n3)c2)N1 587790985 DMKRRINNEBSOQI-XXFAHNHDSA-N 388.244 3.392 0 1 GGAF Cc1cc(-c2nc3cc(C(=N)N)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124885 MWCLXUQOAZCWDS-UHFFFAOYSA-N 397.382 3.084 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(Cl)nc2[nH]cnc12 587868302 JUJQAJXPYNWIBU-UHFFFAOYSA-N 395.732 3.281 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn3cccnc3n2)N1 587774699 NZLLDZJOCJODQG-DYZYQPBXSA-N 375.245 3.429 0 1 GGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(C)nc(C)cc2[nH]1 586964750 CMXGJQIXHNGVOQ-UHFFFAOYSA-N 382.497 3.032 0 1 GGAF Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc2nncn12 587776347 WUVMXSCHBRJWSY-XYZCENFISA-N 390.260 3.132 0 1 GGAF O=S(=O)(O)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005622 NFXHFULFXKOSTM-UHFFFAOYSA-N 388.630 3.288 0 1 GGAF Cc1ccc2c3c(c4c(nc13)[C@@H]1[C@H](CC4)CN[C@H]1C(=O)O)-c1ccccc1C2=O 587096394 JKPNKYJOWATELI-XUTBRHNUSA-N 384.435 3.457 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cccc(Br)c41)[C@@H](C2)C3=O 587416919 GFYFCFTVCYTOAL-YPMLDQLKSA-N 386.201 3.053 0 1 GGAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 587042105 IKKSYJCCCKJBBP-QMMMGPOBSA-N 387.278 3.480 0 1 GGAF CC(C)Oc1cc(-n2c3c(c4c2OC(=O)C4)CC(=O)O3)c(Cl)cc1Cl 587943014 HYKLMLUOKBKEQJ-UHFFFAOYSA-N 382.199 3.494 0 1 GGAF CS(=O)(=O)c1ccc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)o1 962709559 OIUXIZZCVHJBMI-SGTLLEGYSA-N 381.494 3.275 0 1 GGAF CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccc2cccnc12 5067208 ZJFUQCJVOTYIML-UHFFFAOYSA-N 389.864 3.147 0 3 GGAF COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccccc2)CC1 13526258 HRXRYNFLHBSTFS-BUHFOSPRSA-N 393.531 3.427 0 1 GGAF CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccccc3)cc21 169309879 OQLVYFJDRMBDEM-NDEPHWFRSA-N 390.464 3.373 0 1 GGAF CC(C)c1cccc(NC(=O)c2cncc(N3CCc4nc(N)ncc4C3)c2)c1 169710112 YXSQFHKRJRWDHD-UHFFFAOYSA-N 388.475 3.392 0 1 GGAF Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@H](C)C1 207194306 MWRCFJHYABVTIV-PXAZEXFGSA-N 397.928 3.168 0 1 GGAF CC(C)(CNC(=O)OC(C)(C)C)N=c1nc(-c2ccncc2)[nH]c2cnccc12 1857561454 JNUYQNANNJOEKG-UHFFFAOYSA-N 394.479 3.224 0 1 GGAF Cc1c2c(OCCN3CCCCC3)nn(C)c(=O)c2c(C)n1-c1ccccc1 1659188 XCTPOBATSCACNH-UHFFFAOYSA-N 380.492 3.206 0 1 GGAF CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N(C)C)c1 4079800 YPDHQDRMJFXLJM-CTNGQTDRSA-N 381.476 3.331 0 1 GGAF Cc1ccccc1NC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1 4327599 LIDPUTAMSJDGDV-UHFFFAOYSA-N 376.445 3.226 0 1 GGAF CC(C)S(=O)(=O)NC[C@H]1CC(c2ccc(-c3ccccc3)c(F)c2)=NO1 103248009 BHJYMXYIXWCWLI-MRXNPFEDSA-N 376.453 3.314 0 1 GGAF O=C1[C@H]2C[C@@H](CN2C(=O)Cc2ccccc2)Oc2ccccc2N1CC1CC1 2356291309 QHVBPUIZXQDWID-AZUAARDMSA-N 376.456 3.034 0 1 GGAF O=C(Nc1ccc(O)cc1)C1=CC2=N[C@@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1 100443829 FEXNXFOTFBWMTL-DOMZBBRYSA-N 392.337 3.102 0 3 GGAF N[C@H]1CN(c2cc(-c3cccc(O)c3)ncn2)C[C@@H]1c1cc(F)c(F)cc1F 28823847 TYOBQYHBJRYXKB-KDOFPFPSSA-N 386.377 3.198 0 1 GGAF CN(C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCc1ccco1)c1ccccc1 2356522241 ZZMZCYKOOBBHMJ-NLWGTHIKSA-N 398.576 3.091 0 1 GGAF CC(=O)OC[C@]12C(CO)=CCC[C@@H]1[C@](C)(CCc1ccoc1)[C@H](C)C[C@@H]2O 2356780843 GQPHMJWVLFTIQB-JLMLEOCNSA-N 376.493 3.497 0 1 GGAF Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@H]3CNCc2ccccn2)n1 2356861328 UHROYYKZPVOYCZ-IHPCNDPISA-N 389.503 3.408 0 1 GGAF COc1cc2c(c(OC)c1OC(C)=O)CCc1cc(OC(C)=O)cc(OC)c1-2 13460150 QUGQOKRTHKQSTH-UHFFFAOYSA-N 386.400 3.329 0 1 GGAF biogenic CC(=O)NCCn1c(CC(C)C)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188520 CZGFSVVEIWFQLA-INIZCTEOSA-N 394.523 3.377 0 1 GGAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2)C1 82133316 WSPNPRXVUDQVIE-IRXDYDNUSA-N 380.492 3.098 0 1 GGAF CCOC(=O)[C@H]1[C@H](C(F)(F)F)[C@@H]2C=CC=NN2[C@H]1C(=O)c1ccc(C)cc1 96914603 WJTYOIORLHHKMS-CAOSSQGBSA-N 380.366 3.144 0 1 GGAF COc1ccc(NC(=O)[C@@H](NC(=O)c2cc(Cl)ccc2O)C(C)C)cc1 96932387 VBDWHTZMOYKATQ-KRWDZBQOSA-N 376.840 3.447 0 1 GGAF C[C@H]1CN(C)[C@H]2C[C@H](NC(=O)CCN3CCCCC3)C[C@@]1(c1cccc(O)c1)C2 253633252 GZHJRJMEXYUULM-SODVOOIJSA-N 399.579 3.125 0 1 GGAF CC(=O)O[C@@H]1CC=C2C(=O)OC[C@]23C[C@H](O)[C@H](C)[C@](C)(CCc2ccoc2)[C@H]13 523041577 LDHZCXPOCUYEEH-JCLYDMDCSA-N 388.460 3.040 0 1 GGAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(n1)OCCN3C(=O)C(C)(C)C)O2 587397372 AHZOXMBEOKFLKT-SFHVURJKSA-N 395.459 3.450 0 1 GGAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc2nncn12 587585716 HEOSPSQWJCEZNE-LAUBAEHRSA-N 388.383 3.015 0 1 GGAF O=C1C[C@H](Cc2nc3c(Cl)ncnc3[nH]2)c2c(Br)cccc2O1 587002354 DIOAQBXDGNBIPW-ZETCQYMHSA-N 393.628 3.404 0 1 GGAF O=C1C[C@H](C2CCN(S(=O)(=O)C3CC3)CC2)Oc2c1ccc1c2CCCC1 587534336 YSOJXEFJHZGKDN-HXUWFJFHSA-N 389.517 3.103 0 1 GGAF COc1cc(O)cc(-c2cccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c2)c1 587930373 AKOLDIQZEWOTGW-UHFFFAOYSA-N 395.440 3.259 0 1 GGAF C[C@]1(c2ccc(Br)c(N)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962916262 CNZLPAFWOSJLMF-WMLDXEAASA-N 379.229 3.033 0 1 GGAF CCCN(C(N)=O)c1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12 1772636618 JJGGHDCREJMPEK-UHFFFAOYSA-N 375.436 3.165 0 1 GGAF S=C(NCc1ccccc1)N1CCN(c2ncnc3cc(Cl)ccc23)CC1 13538356 UKIUFHVXOQAYIT-UHFFFAOYSA-N 397.935 3.480 0 1 GGAF COc1cc(OC)c2c(=O)c(O)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1 14436797 WNXKIASVAMSBQI-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic,in-vitro CCOC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@@H]1N2C 169302151 VOUOGJPPHPSUFT-XUWVNRHRSA-N 399.272 3.421 0 1 GGAF CCN1CCN([C@@H](C(=O)NC2CCCCC2)c2ccnc3ccccc23)CC1 169304751 QEYHJZMKHNWZOC-JOCHJYFZSA-N 380.536 3.362 0 3 GGAF CC[C@H](C)N(C(=O)CN1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21)[C@@H](C)CC 201488389 VFOSSRYLAFVDMP-ABSDTBQOSA-N 399.535 3.454 0 3 GGAF Clc1ccc(-c2nnc(CNCC3CCNCC3)o2)c(Br)c1 1857652181 FLBUDGYJIIANTL-UHFFFAOYSA-N 385.693 3.242 0 1 GGAF C[C@@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N1CCN(c2ccccc2)CC1 2356324994 VLTFFLHBDJXUJC-OAHLLOKOSA-N 395.434 3.496 0 1 GGAF CC(C)N1Cc2cc(-c3ccc(/C=C4/NC(=S)NC4=O)s3)ccc2C1=O 103237716 DYZUYLGBFGXZJT-OVCLIPMQSA-N 383.498 3.125 0 1 GGAF CC[C@H]1[C@H](OC(C)=O)C(C)(C)[C@@H](OC(=O)c2cccnc2)[C@@H](C)[C@H]1OC(C)=O 2356401820 PJANGBLGXVISJT-RNEPCJONSA-N 391.464 3.173 0 1 GGAF COc1ccc(-c2nnc3n2N=C(c2ccccc2OC)CS3)cc1OC 9289836 FRYZTSQSRVHSPO-UHFFFAOYSA-N 382.445 3.329 0 1 GGAF Cc1ccc(S(=O)(=O)N2C[C@@H](F)[C@H](OCc3nc4ccccc4o3)C2)cc1 2356298778 ANHHVCGPMWERAQ-CRAIPNDOSA-N 390.436 3.064 0 1 GGAF O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 26278566 UAIKGTSARXEXRE-UHFFFAOYSA-N 385.228 3.151 0 1 GGAF COc1cc2c(cc1OC)-c1cc(Nc3ccc(C)c(N)c3)nc(=O)n1CC2 29245685 FQJJWGUPLGABLA-UHFFFAOYSA-N 378.432 3.118 0 1 GGAF CC[C@@H]1C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1C(=COC)C(=O)OC 2356871161 XXZOQSSCBPFYEH-CRFBAAHOSA-N 382.460 3.343 0 1 GGAF Cc1cccc(C(=O)N[C@@]2(C(=O)O)Cc3ccc(F)cc3C2)c1OC1CCC1 139863487 CDBLFEOUDLTXIW-QFIPXVFZSA-N 383.419 3.417 0 1 GGAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccccc3F)n2)C1 82150947 AKMHHYNXWJFGMP-IYBDPMFKSA-N 398.482 3.237 0 1 GGAF COc1ccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)cc1Cl 141855555 NIORITCVKCMJBR-GFCCVEGCSA-N 383.835 3.474 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cnc(OCC4CC4)nc3)C2)cc1 261118299 JBVZLGXROMZLNJ-BTYIYWSLSA-N 396.491 3.120 0 1 GGAF O=c1c2cccnc2ncn1Cc1nc(C[C@H](F)c2ccc(Cl)cc2)no1 653726607 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CCOC(=O)[C@]1(c2ccc[nH]2)N[C@H](C)Cc2ccc(F)c(Br)c21 587791611 MFCVOYYVILQKMI-BMLIUANNSA-N 381.245 3.257 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1ncc[nH]1 587591186 UUAMGSUAKVQUGV-PGRDOPGGSA-N 385.379 3.416 0 1 GGAF N=c1[nH]ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 587168071 RXIFXBDUKWBHFQ-UHFFFAOYSA-N 389.437 3.039 0 1 GGAF COc1ccc([C@]2(CO)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600549 OIBRVZJKPUIHMR-UGKGYDQZSA-N 378.380 3.250 0 1 GGAF Oc1nc(O)c2ccc(-c3ccc(-n4ccnc4)c(Br)c3)nc2n1 587367123 SYBDAFMOXFIHLB-UHFFFAOYSA-N 384.193 3.051 0 1 GGAF COc1c([C@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c(O)nc2ccccc12 963035686 SRQKUNYYDDXEGR-JCQPUDPBSA-N 389.455 3.266 0 1 GGAF COc1ccc(-c2cnc(CNC(=O)C3=Cc4cccc(OC)c4OC3)[nH]2)cc1 1772609703 BRBJSZIHUVWDAJ-UHFFFAOYSA-N 391.427 3.186 0 1 GGAF Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1 5067073 CNOVJBMVNOQPHD-SFHVURJKSA-N 395.484 3.335 0 1 GGAF COc1ccccc1-c1cccn([C@H](CN2CC[C@@H](O)C2)c2ccccc2)c1=O 13488462 MGVFKHIJORWPIN-DENIHFKCSA-N 390.483 3.180 0 1 GGAF Cc1cc(C(=O)O)nn1Cc1cc(N(C)C)cc2sc(N3CC=CCC3)nc12 208136411 HVQAYABWJYEDIT-UHFFFAOYSA-N 397.504 3.380 0 1 GGAF CN(Cc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)CCCCc1ccccc1 1857540624 ZLQDHDLQVIGXOG-UHFFFAOYSA-N 388.533 3.308 0 1 GGAF COc1ccccc1N=c1[nH][nH]c2ccc(NC(=O)[C@H]3CCC[C@H](N)C3)cc12 1857746352 HIDWMKJBUOIBEK-KBPBESRZSA-N 379.464 3.193 0 1 GGAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4295938 ZNFHIAXORATXBB-IXDGSTSKSA-N 390.842 3.458 0 1 GGAF COc1cc(CC[C@@H](O)C[C@H](O)CCc2ccc(O)c(C)c2)cc(OC)c1O 2356393958 YSEDKGANMFJHLV-QZTJIDSGSA-N 390.476 3.101 0 1 GGAF CC(=O)N1C[C@@H]2C[C@@H]1CN2CCc1ccc(Oc2nc3ncccc3s2)cc1 101597667 QRMXENQNOMHOSJ-DLBZAZTESA-N 394.500 3.331 0 1 GGAF COc1cccc(-c2ncc(CN3CCC[C@@H](c4cc(=O)[nH]cn4)C3)s2)c1 23399018 FQTWWWVDXFRQJI-OAHLLOKOSA-N 382.489 3.282 0 1 GGAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](C(N)=O)C[C@]4(C)[C@H]3CC[C@]12C 118920049 NSRFUDBYSKPHCF-KKVXAODNSA-N 375.509 3.241 0 1 GGAF Nc1onc(CCC(=O)O)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28568025 CFSHLKQNSVJTKI-UHFFFAOYSA-N 398.259 3.253 0 1 GGAF CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 36371036 QRJOQYLXZPQQMX-KPDVRHJKSA-N 390.520 3.317 0 1 GGAF O=C1c2ccncc2C(=O)N1Nc1ncnc2scc(-c3cccs3)c12 138607590 PWDNBPRLDQVOKY-UHFFFAOYSA-N 379.426 3.438 0 1 GGAF Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCC3)cc2F)cn1 224754512 QJTJZBOAPSHESR-UHFFFAOYSA-N 384.436 3.253 0 1 GGAF CC(C)CO[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40933995 QDHKBIPGDXCJCB-CZUORRHYSA-N 380.876 3.337 0 1 GGAF CC(C)n1c(=O)c(NCCC(C)(C)C)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205265 UIMXOYQHUSFIGJ-KRWDZBQOSA-N 384.524 3.476 0 1 GGAF Cc1cccc2nc([C@@H](C)n3cnc4c(N)ncnc43)n(-c3ccccc3)c(=O)c12 95565956 QNIRTQZHXPSGMQ-CQSZACIVSA-N 397.442 3.025 0 1 GGAF N[C@@H]1CCc2ccc(CNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccccc1 142902041 BRUPJZUTAXTMBB-FCHUYYIVSA-N 384.545 3.116 0 1 GGAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ncccc1Cl 299839044 PNDYHABIQGEOMQ-UHFFFAOYSA-N 385.203 3.158 0 1 GGAF Cc1cc(CNC(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)nn1C 299823050 CTNZOCITILETEH-UHFFFAOYSA-N 398.442 3.007 0 1 GGAF CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccccn1 653776548 IXSHSVQBPONJGM-INIZCTEOSA-N 395.484 3.017 0 1 GGAF CC(C)CN1CC[C@@H](NC(=O)c2ccc(OC3CCN(C(C)C)CC3)cc2)C1 653765530 KXDNVFJLTNVAQD-HXUWFJFHSA-N 387.568 3.398 0 1 GGAF CC(=O)n1nnnc1C1=CC2=CC[C@H]3[C@@H]4CCC(=O)N[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 653766258 APURNSXVVPPJGI-JVFGBDHYSA-N 395.507 3.158 0 1 GGAF O=C(NC(=O)c1c(O)cccc1O)N[C@@H]1c2ccccc2-c2cccc(F)c21 653785016 UFQCHCFDGLYJMK-LJQANCHMSA-N 378.359 3.446 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cc(C(=O)O)n1C)O2 587378132 RYLMDLXXAOBDLF-ZDUSSCGKSA-N 379.210 3.083 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3cnccn3)c2)N1 587759729 MKPKLLNSZSUSHI-QGHHPUGFSA-N 388.244 3.188 0 1 GGAF COC(=O)[C@H]1Cc2nc3cccc4c3c(c2[C@@H]1C(=O)OC)-c1ccccc1C4=O 587105878 BHAKUVJMBZFCKI-IFXJQAMLSA-N 387.391 3.048 0 1 GGAF COCCCn1nccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587759649 LRPPZQFDFXUQCM-PIGZYNQJSA-N 382.277 3.445 0 1 GGAF Sc1nc(S)c2nc(-c3cnn4cccc(Br)c34)[nH]c2n1 587006340 GXLDQSBWGIFELN-UHFFFAOYSA-N 379.268 3.008 0 1 GGAF CCN(CC)c1ccc(-c2nn(C(=S)N(C)C)c(=O)c3ccccc23)c(O)c1 587671459 XDXUUHMEFXLILX-UHFFFAOYSA-N 396.516 3.310 0 1 GGAF CCOc1ccccc1[C@](N)(c1nc2cccc(C(=O)O)c2[nH]1)C(F)(F)F 587091487 DSSSOYPVRGKHHB-KRWDZBQOSA-N 379.338 3.424 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(N)c(N)c1 587862368 LTMVMLQZBQWBSY-UHFFFAOYSA-N 376.338 3.430 0 1 GGAF CCOC(=O)[C@@H]1CN(CC)CC[C@]12c1ccsc1CCN2Cc1ccco1 962702542 AWEJPUWDOKUCOB-RXVVDRJESA-N 388.533 3.500 0 1 GGAF Cc1c(Cc2ccccc2Cc2ccccc2)c2c(n1CC(=O)O)CCNC2=O 205465249 JALLAPMJQGLNSV-UHFFFAOYSA-N 388.467 3.349 0 1 GGAF OC[C@@H]1CCCN1c1nc2ccccc2c(=NCCc2ccc(Cl)cc2)[nH]1 1857559172 WDQGTZOJYMZZJL-KRWDZBQOSA-N 382.895 3.321 0 1 GGAF CC(C)c1c(-c2ccc3c(c2)cc(CN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O 142780295 JLMCDZYAWSTZMJ-UHFFFAOYSA-N 383.448 3.122 0 1 GGAF O=C(CN1CCC(NC(=O)c2ccco2)CC1)Nc1cccc2ccccc12 4909210 XCFJIPOGVWCNSN-UHFFFAOYSA-N 377.444 3.266 0 3 GGAF Nc1nccn2c1c(-c1ccc(O[C@H]3CCCCO3)cc1)nc2[C@H]1C[C@@H](O)C1 100618445 BCBZMCJUHJMXOO-ZOBUZTSGSA-N 380.448 3.122 0 1 GGAF O=C1O[C@H](c2ccccc2)C(=O)N1CCN1CCN(c2ccc(Cl)cc2)CC1 103208218 YSEKLZPVQZKEOU-LJQANCHMSA-N 399.878 3.182 0 1 GGAF C[C@H]1CNC(c2ccc(-c3cnc(-c4ccc(C5=N[C@H](C)CN5)cc4)o3)cc2)=N1 27651198 SAHXQMUIIQMCLZ-LSDHHAIUSA-N 385.471 3.485 0 1 GGAF Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(=O)(=O)C(C)C)cc1 117590205 XMCRMQJEYLGRKF-UHFFFAOYSA-N 386.473 3.202 0 1 GGAF CCCN(CC[C@@H](C)[C@H]1CC=C(C)CC1)Cc1ccc2c(c1)=[N+]([O-])C(C)(C)[N+]=2[O-] 66262916 MHOPYBVKHSVQDN-CTNGQTDRSA-N 399.579 3.399 0 1 GGAF C[C@H]1CN2CCN(C(=O)Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 35075249 JVMCXCLDIPSMCE-SNYIIPAISA-N 378.516 3.445 0 1 GGAF C[C@@H]1CN(c2ccc3ccccc3n2)CCN1CCCCN1C(=O)CCCC1=O 40943321 SKYIZGBNQOMMFP-GOSISDBHSA-N 394.519 3.065 0 1 GGAF CNCc1cc(S(=O)(=O)NC)ccc1Oc1ccc(Cl)c(Cl)c1 40848231 DDAOSNKKPKGLIN-UHFFFAOYSA-N 375.277 3.413 0 1 GGAF C[C@@H]1CC[C@@H]2CC3=C(C(=O)O)[C@@H](O)C[C@@]31[C@]2(C)CNC(=N)NC1CCCCC1 85549029 CRYRHDNRSJLOHC-HTPLSWGKSA-N 389.540 3.021 0 1 GGAF biogenic,in-vitro Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@]4(CC2)CN(CCc2ccccc2)CC[C@]314 194982573 WLSQQOZOVMNIED-VDVKDMFPSA-N 389.495 3.203 0 1 GGAF CCCCS(=O)(=O)N[C@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)C(C)C 586933435 RMONGRORYVASAO-ZDUSSCGKSA-N 378.420 3.393 0 1 GGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1 586938471 KAMAOMMJSOOWQN-LBPRGKRZSA-N 389.477 3.324 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4nc(O)c(C(=O)O)cc41)[C@@H](C2)C3=O 587436341 OCRJGHSSTJRSSE-FPTDNZKUSA-N 395.411 3.109 0 1 GGAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587047894 BUDICHGEYBWYTD-UHFFFAOYSA-N 381.827 3.454 0 1 GGAF COc1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2c1 587184336 QYWXKPAFCFWMAQ-ZDUSSCGKSA-N 393.228 3.419 0 1 GGAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C)c(S(N)(=O)=O)c1)CC2=O 587483933 GNUXQHRZRHHWNO-FQEVSTJZSA-N 389.473 3.181 0 1 GGAF Cc1c(O)ccc2c1[C@](c1ccc3c(c1)CCO3)(C(F)(F)F)N[C@H](C(=O)O)C2 963494273 ZVFFQGNQQIOBGP-IFXJQAMLSA-N 393.361 3.040 0 1 GGAF CCOC(=O)C[C@@]1(c2cnn(C)c2)c2ccsc2CCN1Cc1ccco1 962720071 YRBSXKXVMPGVMX-HXUWFJFHSA-N 385.489 3.330 0 1 GGAF Cc1cc(-c2cnn(C)c2)cc(C2=CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1 1772590788 UNVTWPGKENJFGV-UHFFFAOYSA-N 376.464 3.176 0 1 GGAF CCCCCn1c(=O)c2c(nc3cc(OC)ccn32)n(Cc2ccccc2)c1=O 1772597444 MGPXSHULZYFTFE-UHFFFAOYSA-N 392.459 3.058 0 1 GGAF CC[C@@H](C(=O)NCCc1ccccc1)n1nc(C)n2c(cc3sccc32)c1=O 5108456 KYOCOFDUNRJQOY-INIZCTEOSA-N 394.500 3.329 0 1 GGAF O=C(Nc1ccnn1C1CCN(Cc2ccc(CO)o2)CC1)c1ccccc1 15073799 YVLQYRUXZLBUGF-UHFFFAOYSA-N 380.448 3.058 0 3 GGAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(CCc3ccccc3)CC(=O)N21 16040666 HNCOIYRRFJWEDA-HXUWFJFHSA-N 387.483 3.241 0 1 GGAF biogenic COc1ccc(CNC(=O)Cn2cc(Cc3csc4ccccc34)nn2)cc1 169327273 JULGTXCWHHSNDM-UHFFFAOYSA-N 392.484 3.409 0 1 GGAF Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc(CF)n2)s1 205822321 GAHBYCAKOYTKMH-OLZOCXBDSA-N 386.456 3.296 0 1 GGAF COc1ccc(-c2[nH]c(=N)[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1OC 1857570353 CRLNXCUDOHMGQK-UHFFFAOYSA-N 385.420 3.199 0 1 GGAF C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 3014852 AGWNTSAXKRGTBH-FOQSWYGASA-N 378.472 3.307 0 1 GGAF CCOc1cc2c(cc1OCC)[C@@H](C(=O)O)[C@@H](c1cccc(OC)c1)N(C)C2=O 4563547 XYIZWDWGCKCMNC-WOJBJXKFSA-N 399.443 3.488 0 1 GGAF CCc1nc([C@H]2CCCO2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 103247031 VIJAQTISDPENBI-YSPLYIDXSA-N 376.522 3.226 0 1 GGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2[C@@H](C)C(=O)Nc1ccccc1F 8604565 OZPNDLILRVGMRK-JTQLQIEISA-N 396.344 3.401 0 1 GGAF CCN1CCN(C(=O)c2cc3c(-c4cccc(OC)c4)nn(C)c3s2)CC1 59525078 VFAPRLLGXKXPPI-UHFFFAOYSA-N 384.505 3.088 0 1 GGAF CN(Cc1ccccc1)C(=O)C[C@@H]1CCCCN1c1ccnc(-n2ccnc2)n1 35275440 KVYHMAVXYYJCLV-IBGZPJMESA-N 390.491 3.070 0 1 GGAF CCOc1ccc(Nc2nc(C)nn([C@@H](C)C3CC3)c2=O)c(C(F)(F)F)n1 49034405 VAHUPXXWRCYHIY-VIFPVBQESA-N 383.374 3.474 0 1 GGAF COCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1F 82217289 YLFXBHPYTLRTBC-GJZGRUSLSA-N 386.471 3.141 0 1 GGAF c1cncc(CNc2cncc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)c1 226088841 WGEZACBWMSHTAF-UHFFFAOYSA-N 385.475 3.494 0 1 GGAF CCC(=O)N(C)C[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)CC 95895285 KZTYLXSVSOKJSS-QTEQDKRBSA-N 384.520 3.188 0 1 GGAF CCO[C@@H]1C[C@]2(CC[C@@]3(O2)[C@H](C)[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@@]23C)CO1 238763170 NFKPHRRRKACNJA-INHOZJDMSA-N 380.525 3.470 0 1 GGAF Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1CCc1ccc(O)cc1 95599431 TZBYLUZTPIASKJ-JOCHJYFZSA-N 391.475 3.065 0 3 GGAF F[C@@H]1CCNCC[C@@H]1Oc1cccc2ccc(-c3nnc4ccccn34)nc12 96175001 CBZNDVANLGVAAJ-WBVHZDCISA-N 377.423 3.413 0 1 GGAF CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F 95894273 NSLHUDQKDUGEFF-PWRODBHTSA-N 383.467 3.094 0 1 GGAF O=C(CCCN1c2ccccc2[C@@H]2C[C@@H]3CNCCN3C[C@H]21)c1ccc(F)cc1 253659106 IIYOGQVRYCSVTF-UNWVZKJWSA-N 393.506 3.439 0 1 GGAF O=[n+]1[nH]c2c(I)cnn2c2cc(-c3cccs3)ccc21 377836324 LKWFJBLWNKJOAH-UHFFFAOYSA-N 395.205 3.063 0 1 GGAF O=C(c1ccccc1-n1cccn1)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 473179223 ACEQZDGXQHUBSC-AYBZRNKSSA-N 392.434 3.479 0 1 GGAF COc1cccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 586946017 PVUTTZQHKQQIKZ-UHFFFAOYSA-N 389.458 3.372 0 1 GGAF COC(=O)c1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cn1 587205061 NNZUXLBOLBAWKM-AWEZNQCLSA-N 376.457 3.226 0 1 GGAF N=c1[nH]c2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc(O)c2o1 587575029 HUDHFVWNUPPVLO-VQIMIIECSA-N 390.351 3.354 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(C(N)=O)c2)N1 587749704 QBSOILMFYSMNPB-YYSFKGJASA-N 393.256 3.190 0 1 GGAF COC(=O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592795 KNLKJDFCXPTGJG-AVRDEDQJSA-N 376.364 3.422 0 1 GGAF C[C@@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)N[C@H](C(=O)O)Cc1cccc(F)c12 962926585 XQZJNKSDJPBKOO-RAJNIJHNSA-N 378.444 3.039 0 1 GGAF CN1C(=O)C[C@@H]2CNC3(CCC(CN)(c4ccccc4)CC3)c3cccc1c32 963034380 RHKHAKRVSHLQPV-ZPSAWSNLSA-N 375.516 3.406 0 1 GGAF CCCOc1cc(C(=O)O)c(O)c(I)c1-n1cccc1 1857747591 HDCGZTAEMHVMPH-UHFFFAOYSA-N 387.173 3.275 0 1 GGAF O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@H](NC[C@@H]1CCCO1)CC3 1772590623 PPVKCYNGBYJSIK-SJORKVTESA-N 395.528 3.132 0 1 GGAF O=C(c1ccccc1-n1nccn1)N1CCC[C@@H](Oc2ccc3ccccc3n2)C1 1772608161 PEKUPYFYZBJFLN-GOSISDBHSA-N 399.454 3.499 0 1 GGAF COCCc1nc2ccc(C(=O)N3CCC[C@@H](OCc4cccnc4)C3)cc2o1 12318876 UJZHOUQZUPYDDD-GOSISDBHSA-N 395.459 3.233 0 1 GGAF CC(C)C(C/C=C1\C[C@@](CO)(COC(=O)c2ccccc2O)OC1=O)C(C)C 13704108 LOLIYBRBTHMUFG-KYIYGJGQSA-N 390.476 3.472 0 1 GGAF CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)C[C@@H](CC(C)C)N2 169719758 FNQVLQQNZJKPRK-IYJORBIASA-N 399.539 3.132 0 1 GGAF CC1(C)OC[C@H](COC(=O)Cc2ccc3c(c2)OCc2ccccc2C3=O)O1 2000403 MEEAPNCGAKISDY-INIZCTEOSA-N 382.412 3.047 0 1 GGAF COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1 4043484 HIBHUENMPHKSLF-IEBWSBKVSA-N 387.505 3.059 0 1 GGAF Cc1nc2cnc(OCc3ccccc3)nc2n(Cc2ccc(F)cc2)c1=O 4238522 BDCOBESMGKKMHR-UHFFFAOYSA-N 376.391 3.261 0 1 GGAF CCc1nn(CCCC(=O)N[C@H]2CCCC[C@H]2C)c(=O)c2cc3occc3n12 6807442 VHAUTMGKMHFRAW-CABCVRRESA-N 384.480 3.280 0 3 GGAF COc1cc(-c2nnc([S@](=O)Cc3cccc(F)c3)o2)cc(OC)c1OC 29123260 FYIFHCXDDFVTMC-MHZLTWQESA-N 392.408 3.209 0 1 GGAF CCCCN(CCCC)C(=O)C[C@@H]1[C@H](O)CC[C@H]2[C@]1(C)CC[C@H](O)[C@@]2(C)CO 2356683148 JBZRBJLHXOKMBR-APGOMEQCSA-N 397.600 3.352 0 1 GGAF CN1CC[C@@H](Oc2ccc(-n3ccc(OCc4ccccc4)cc3=O)cc2)C1 66251602 UULNBRJDGOKKRC-JOCHJYFZSA-N 376.456 3.499 0 1 GGAF C/C=C/c1cc2ccccc2c2c(C(=O)OC)c(C(=O)OC)c(C(=O)OC)n12 36381612 LHCSKFXDVFVWSQ-VMPITWQZSA-N 381.384 3.485 0 1 GGAF COC(=O)c1cc(NC(=O)c2cccc(O)c2C)c2cc(C(=N)N)ccc2c1 38189526 OUBRALHIKGRAMA-UHFFFAOYSA-N 377.400 3.177 0 1 GGAF in-vivo O=C(C[C@@H](C(=O)Nc1ccccc1)N1CCOCC1)c1ccc2c(c1)CCCC2 45388159 VANKYQDEDHCRSN-QFIPXVFZSA-N 392.499 3.478 0 1 GGAF COc1cccc2c1C(=O)CC1(CCN(C(=O)c3ccc4[nH]cnc4c3)CC1)O2 49071994 KSSPNAZKQNRMKC-UHFFFAOYSA-N 391.427 3.212 0 1 GGAF O=C(c1ccccc1)N1CCN(CCCOc2cccc3cccnc23)CC1 43023683 MDYJQMHLEPARPS-UHFFFAOYSA-N 375.472 3.462 0 1 GGAF CCC[C@@H]1C[C@@H](OCC)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40914942 VDLXNDODVYULCA-GDBMZVCRSA-N 380.876 3.481 0 1 GGAF CCC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@H](CO)c2ccccc2)cc1 146668806 VSLVWNLPPYDMFC-WTOYTKOKSA-N 385.504 3.427 0 1 GGAF Cc1cccc(N2CCCN(c3ccnc4sc(C(N)=O)c(N)c34)CC2)c1 95603525 HJQARQUHONWPQD-UHFFFAOYSA-N 381.505 3.003 0 1 GGAF C[C@@H]1CN(c2ncccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 473082629 JPFLOHQXYYSEHH-LLVKDONJSA-N 387.802 3.266 0 1 GGAF O=C(C[C@@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O)c1ccc(F)cc1 473082213 GKZIMGWAORBJRO-HSZRJFAPSA-N 386.382 3.347 0 1 GGAF COC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343007 JASZQGBCWLOEMV-GOSISDBHSA-N 385.391 3.491 0 1 GGAF COc1cccc2c1[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587799430 XCBOFTTYFVSDBW-DYBLOJMWSA-N 391.240 3.327 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1 586898026 FDWGTOMAECBSHC-UHFFFAOYSA-N 385.489 3.379 0 1 GGAF Cc1cc(F)c2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2c1 586945972 FBDIRJVAWXAUEF-CQSZACIVSA-N 389.452 3.135 0 1 GGAF COC(=O)CC[C@H](N)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587258838 DTZULELDAFNVQN-HNNXBMFYSA-N 383.404 3.095 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCCN1CCOCC1 587863162 DJJDXVYHVNPTKF-UHFFFAOYSA-N 397.397 3.330 0 1 GGAF CCOC(=O)c1cc([C@]2(C(C)C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c[nH]1 963026086 NFOSIGOWWPSREA-PEBXRYMYSA-N 381.476 3.144 0 1 GGAF Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)c2ccccc2n1C 596507 PVNPCRMKZHRPEV-DHZHZOJOSA-N 388.471 3.438 0 1 GGAF in-vitro CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(-c3ccccc3)c3ccccc13)C2 1772643818 JVZYMLLIFUSHQB-RTBURBONSA-N 375.472 3.222 0 1 GGAF COc1cc2c(cc1OC)[C@@H]1O[C@H](OC)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 15257521 STJFYCWYHROASW-ONTIZHBOSA-N 399.443 3.378 0 1 GGAF endogenous,in-man CC1(C)Oc2cc3oc(C(=O)O)cc(=O)c3cc2-c2ccc(OCCO)cc21 169316394 YOYPASUIXLEJEW-UHFFFAOYSA-N 382.368 3.157 0 1 GGAF O=C(N[C@H]1CC[C@H](CO)CC1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 101656786 DCIAJQYVIKONRS-AKAXFMLLSA-N 391.899 3.365 0 1 GGAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H]2OC(=O)NC2=O)cc1 586589 NNOISTKKYFQVRV-LJQANCHMSA-N 392.411 3.449 0 1 GGAF CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CCOCC2)c1 4051917 LKSLGYZBDUDYNL-TZIWHRDSSA-N 380.444 3.036 0 1 GGAF O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4054047 DBKBGGCIYBTCQS-ZJOUEHCJSA-N 376.412 3.221 0 1 GGAF CCc1nn(C)c(C(=O)NCc2ccc(O[C@H](C)C(F)(F)F)nc2)c1Cl 103177061 FAUGQYPDGFFMNT-SECBINFHSA-N 390.793 3.291 0 1 GGAF O=C1N[C@H](C(=O)O)Cc2cccc(c2)OCCCCOc2cccc(Cl)c21 103258310 NLUDZQOAPUIKSG-INIZCTEOSA-N 389.835 3.317 0 1 GGAF COc1ccc(C2=NN(CCCCN(C)C)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26571186 ZFPQQBRXDLRJDH-ROUUACIJSA-N 387.524 3.398 0 1 GGAF CCC=CCC=CCC=CC[C@H]1[C@H](C=C[C@@H](O)CCC(=O)O)[C@@H](O)C[C@H]1O 2356311900 XAFFULPVQSAGOV-IFLJBQAJSA-N 378.509 3.375 0 1 GGAF Nc1cc(C(=O)N2CCCCCC2)ccc1C(=O)c1cnc2ccc(F)cn12 115948509 GVQJFUYQVZPPBR-UHFFFAOYSA-N 380.423 3.303 0 1 GGAF C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12 28820734 BDGUZDOTNGSANE-SSDOTTSWSA-N 383.449 3.032 0 1 GGAF COC(=O)[C@@H]1[C@@H](c2cccc(I)c2)C[C@@H]2CC[C@H]1N2C 26259313 XUBVUMLIQBPHGD-GBJTYRQASA-N 385.245 3.031 0 1 GGAF CC[C@@H](C(N)=O)N1C[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O 34291476 CYKQOGRIBMLQSQ-CABZTGNLSA-N 382.304 3.304 0 1 GGAF CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1coc2ccccc2c1=O 71405083 MCMMVPIYFQHJDT-IBGZPJMESA-N 390.395 3.121 0 1 GGAF COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(N)=O)cs1 82074903 QCWFBGGSYPZYBO-UHFFFAOYSA-N 382.445 3.299 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncc(OC(C)C)cn3)C2)cc1 261150078 OSEYZLPEKMMMIR-HNAYVOBHSA-N 384.480 3.119 0 1 GGAF COc1cc2c(cc1OC)-c1cc(=Nc3ccc(C)cc3C)n(C)c(=O)n1CC2 299804496 VXPPDSJBISYSNB-UHFFFAOYSA-N 391.471 3.276 0 1 GGAF Clc1ccc(C2=C[C@H](c3nc4nc(Br)c[nH]c-4n3)ON2)cc1 587077236 SESUZTKRUUOAST-SNVBAGLBSA-N 378.617 3.337 0 1 GGAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)s1 587015113 XGZXIHXUTDKRIP-LLVKDONJSA-N 394.522 3.343 0 1 GGAF CS(=O)(=O)C[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361693 YYKWIUWMQKVWTK-UYAOXDASSA-N 390.432 3.084 0 1 GGAF Fc1cc2[nH]c(-c3cnn4cc(Br)cnc34)nc2cc1-n1cccn1 587007692 DAHDICQNAIBZTK-UHFFFAOYSA-N 398.199 3.360 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(O)ccc12 587791556 KAXWWKVIDNGDKX-RBHXEPJQSA-N 377.213 3.024 0 1 GGAF CCOC(=O)c1c[nH]nc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587801041 COLKBGWIXRVFHW-RTHLEPHNSA-N 382.233 3.112 0 1 GGAF O=S(=O)(CCc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc2c(c1)CCC2 586920567 MSZSAISZJODSMU-UHFFFAOYSA-N 380.391 3.485 0 1 GGAF CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(OCC(=O)O)=CO1 587831153 GXKRUEHOHBILAB-XLFHBGCDSA-N 398.228 3.194 0 1 GGAF COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1C 587576623 JTOALFUTZFBVPX-YLJYHZDGSA-N 379.368 3.220 0 1 GGAF COC(=O)/C(=C\N(C)C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336154 LTEVGEWMEDJMTQ-IWNKYHNRSA-N 399.418 3.267 0 1 GGAF COc1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cc1F 587126652 DTZAEPLOQKBZPR-UHFFFAOYSA-N 375.303 3.066 0 1 GGAF O=C(O)C[C@H]1CCCc2ccccc2[C@]12N[C@H](C(=O)O)Cc1cc(F)ccc12 962918559 ILBJNCVGRHKJRB-QOEFQVSFSA-N 383.419 3.095 0 1 GGAF CCn1cccc1[C@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963153616 WPTBXLCIISXZDK-KGLIPLIRSA-N 377.466 3.300 0 1 GGAF O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)NCc1ccco1 12995480 QWJJMLXDXWXPMA-NLKGSNSHSA-N 396.281 3.173 0 1 GGAF CCOC(=O)C[C@@H](NC(=O)CCCCc1ccc(C(=N)N)cc1)c1ccccc1 13900156 QTTZVFKSSGRSCC-HXUWFJFHSA-N 395.503 3.494 0 1 GGAF CC[C@@H](C)NC(=O)N1CCc2c(cnc(C)c2-c2noc(-c3cscn3)n2)C1 19147778 KNXIJOOWTMTDIY-LLVKDONJSA-N 398.492 3.430 0 1 GGAF CCOc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169706968 PVUQILBETCLLGF-INIZCTEOSA-N 390.443 3.013 0 1 GGAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)Cc5ccc(O)cc5)cc4)c12)CCC3 1857557298 OHMUEUFJIHBIAV-UHFFFAOYSA-N 399.454 3.209 0 1 GGAF O=S(=O)(c1ccccc1)N1Cc2cccc(N3CCN(C4CCC4)CC3)c2C1 1857580456 FEUOYGFGQUAIGL-UHFFFAOYSA-N 397.544 3.066 0 1 GGAF CC(C)(C)c1nc(CC(=O)N2CCN(c3cncc4ccccc34)CC2)co1 1857582986 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CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ncccc21 143703580 DZZYQGVHBPQMKZ-UHFFFAOYSA-N 376.464 3.372 0 1 GGAF COc1ccc2[nH]c(CCc3nc4ccc(OC)c(OC)c4[nH]3)nc2c1OC 72136084 GHDQNKCKCIDXKW-UHFFFAOYSA-N 382.420 3.259 0 1 GGAF O=C(O)c1cn(Cc2ccc(-c3ccc(F)nc3)nc2)c2c(F)cccc2c1=O 45339595 BTZGXIUYGZURTN-UHFFFAOYSA-N 393.349 3.483 0 1 GGAF CCCCNc1nc(C)nc(Sc2nnc3c4ccccc4n(C)c3n2)n1 49832456 QPIYPBNHSQEFDI-UHFFFAOYSA-N 380.481 3.373 0 1 GGAF O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC1)c1cccc(-c2ccns2)c1 42750474 DKHQFIDUUODGPB-IBGZPJMESA-N 391.496 3.384 0 1 GGAF CCC(=O)NC[C@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1C(=O)CC 95895365 YMMVOAVOSHGORU-MZKRTTBSSA-N 398.478 3.084 0 1 GGAF COc1cc(O)c(Cl)c2c1C(=O)O[C@H](C)CCCCC[C@@H](O)CC(=O)C2 31167242 OFCMNCCBXOEQGQ-VXGBXAGGSA-N 384.856 3.426 0 1 GGAF biogenic CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3cc(Cl)ncc3n1C)C2 299825685 MZJHESYDMKROEG-UHFFFAOYSA-N 382.895 3.487 0 1 GGAF CCOC(=O)[C@@]1(c2c(O)[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437782 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Cc1cc2c(cc1C)C(Cl)=C(COC[C@@H](O)CN1CCOCC1)CCC2 1772598827 HDBXCIIDXYGGSK-IBGZPJMESA-N 379.928 3.299 0 1 GGAF C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/CC1)O[C@@](O)([C@H]1CSC(=O)N1)C2 169370849 NSHPHXHGRHSMIK-WZEPLJEUSA-N 395.521 3.303 0 1 GGAF C=CC(=O)Nc1cccc(C2=C(c3cn(C)c4cc(F)ccc34)C(=O)NC2=O)c1 1911572201 QKUAPXUJFYVECA-UHFFFAOYSA-N 389.386 3.009 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CC[C@](C)([C@@H]2CCC(C)=C[C@@H]2O)O[C@]1(C)COC(C)=O 2356437567 XMZLIYKXYUUFPG-MGFHSNFOSA-N 394.508 3.473 0 1 GGAF Nc1c(C(=O)NCCC2=CCCCC2)nnn1-c1cccc(C(F)(F)F)c1 2957726 HXLSXGQKTZLXFE-UHFFFAOYSA-N 379.386 3.489 0 1 GGAF CN(C)CCNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 6916051 SVXBSCDOKZLKJE-UHFFFAOYSA-N 394.519 3.282 0 1 GGAF C[C@H]1CCCN(C(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)C1 6936771 LDRZZCIYRDRBKP-INIZCTEOSA-N 396.539 3.028 0 3 GGAF O=C1[C@H]2C[C@@H](CN2C(=O)Nc2ccccc2)Oc2ccccc2N1CC1CC1 2356299710 MZKKHLGVSGZJKR-PKOBYXMFSA-N 377.444 3.497 0 1 GGAF Cn1c(=O)c(-c2c(F)cccc2F)cc2cnc(NCc3cccc(N)c3)nc21 58592766 CKRUVOWUUADMOW-UHFFFAOYSA-N 393.397 3.468 0 1 GGAF COC(=O)[C@H]1[C@@H](c2cccc(/C=C/I)c2)C[C@H]2CC[C@H]1N2 101064495 AHEMMEONOCHONP-PSCPHALVSA-N 397.256 3.489 0 1 GGAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(S(C)(=O)=O)cc1 116232633 UYYUINZFBGYMJD-UHFFFAOYSA-N 399.472 3.243 0 1 GGAF COC(=O)/C(=C1/OC(=O)C(c2ccc(OC)cc2)=C1O)c1ccc(C(C)=O)cc1 64447496 OQEKHMRMVQTMKW-CZIZESTLSA-N 394.379 3.308 0 1 GGAF COc1cc(-c2[nH]c(=O)[nH]c2C(=O)Nc2cc(C)cc(C)c2)cc(OC)c1OC 71332807 DODYOBBSFXGKOW-UHFFFAOYSA-N 397.431 3.265 0 1 GGAF CC[C@H](NC(=O)c1cc(C(=O)NCC2CC2)c2n1CCOC2)c1ccccc1 146144460 ZGRGZBUEPPIXLU-SFHVURJKSA-N 381.476 3.039 0 1 GGAF CC(=O)N1C[C@@H]2CN(Cc3ccc(Oc4nc5ncccc5s4)cc3)C[C@H]2C1 95558935 MWUSGACKQRXZRZ-IRXDYDNUSA-N 394.500 3.394 0 1 GGAF CC(=O)N[C@H](Cc1nc2ccc(CO)cc2[nH]1)c1ccc(Br)cc1 586984341 FHNLONMCZNEDGX-MRXNPFEDSA-N 388.265 3.238 0 1 GGAF C[C@]1(c2ccc(O)c(C(N)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576791 IEAIIBQYFYAHNX-XMSQKQJNSA-N 391.379 3.074 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccc(Cl)cc4)nn1)[C@@H](C2)C3=O 587422070 PBSNOVXCYQGHJR-MGPUTAFESA-N 381.819 3.477 0 1 GGAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(Br)cnc2[nH]1)C(C)C 586932412 FDGQBZFYDRFPQN-GFCCVEGCSA-N 389.319 3.137 0 1 GGAF CCCCS(=O)(=O)N[C@@H](c1nc2c(Br)ccnc2[nH]1)C(C)C 586932408 FDCLLMLDWVGSKJ-LLVKDONJSA-N 389.319 3.137 0 1 GGAF CCOC(=O)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587706700 RUOQISGVWQKOCM-WPPNPWJKSA-N 384.167 3.443 0 1 GGAF COc1ccc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2n1 586917509 CWZWFGPWBNFVFP-UHFFFAOYSA-N 379.416 3.484 0 1 GGAF CN(C)/C=C/[C@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578501 AKZYADVORVURDX-VTXMGJMISA-N 391.427 3.058 0 1 GGAF Brc1nc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(C2CC2)s1 587012818 KMZFFCCVYIYBJU-UHFFFAOYSA-N 388.254 3.302 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CS(=O)(=O)c3ccccc32)N1 587848070 ZFUHMXHEJRRGPJ-BTDLBPIBSA-N 396.281 3.153 0 1 GGAF COc1ccc(Cn2cc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)nn2)cc1 587439474 URXXHWLXQZAZOB-VGSWGCGISA-N 391.427 3.006 0 1 GGAF COC(=O)[C@@H]1CSCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587856599 IXUUNHSFCKNUBC-SEFYAATASA-N 388.302 3.244 0 1 GGAF CCn1cc(-c2cccc(OC)c2)c(=O)c2cc(F)c(N3CCNCC3)cc21 1772613171 YYNSYUMMLKBCNN-UHFFFAOYSA-N 381.451 3.246 0 1 GGAF Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cc(COc2cncc(Cl)c2)on1 11999670 GWLNJLHUQXBZDB-SNVBAGLBSA-N 389.843 3.143 0 3 GGAF CC(C)(C)c1cc(Nc2nc(N[C@@H](CO)C3CCCCC3)nc3n[nH]cc23)[nH]n1 169702560 LQHDIUPOUIHHFX-AWEZNQCLSA-N 398.515 3.470 0 1 GGAF Cc1ccc(-c2noc(CNc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)cc1 205147889 UYBOJEMOTUMPEY-OAHLLOKOSA-N 394.435 3.428 0 1 GGAF C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2O)C1=O 1857620604 RHMYPZYXJBYMPC-GOSISDBHSA-N 380.488 3.221 0 1 GGAF CCCCC[C@H]1c2c(nc3c(c2N)CCCC3)-n2c(=O)c3ccccc3c(=O)n21 1857647987 MSDRFBAYPPQQCX-SFHVURJKSA-N 390.487 3.492 0 1 GGAF C[C@@H](N=c1nc(-c2cncc(C(F)(F)F)c2)[nH]c(=N[C@H](C)C2CC2)[nH]1)C1CC1 1857648469 ALVRRVSCSVEIIK-GHMZBOCLSA-N 392.429 3.217 0 1 GGAF 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CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1cccc(-n2ccnc2)c1 169714458 YKFZZEOOTVVDDT-UYAOXDASSA-N 395.459 3.447 0 1 GGAF COc1ccc([C@H](CNC(=O)c2cc(C)ccc2Cl)N2CCOCC2)cc1 207718889 AFUCTXHJTYWCAJ-FQEVSTJZSA-N 388.895 3.460 0 1 GGAF CC(=O)OC[C@@]1(O)OC[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@@H]13 1857536560 NMXQNNZLXKLLEI-KUSRBMHUSA-N 390.520 3.188 0 1 GGAF O=c1/c(=C\c2ccccc2Cl)sc2n1CN(c1ccc(Cl)cc1)CN=2 1857548825 GZNJISDAIIIBBS-CXUHLZMHSA-N 390.295 3.100 0 1 GGAF Cc1ccc(CN2CCN(CC(=O)NCCc3ccc(Cl)cc3)C2=O)cc1 4930809 XUFKKEPVWYESTE-UHFFFAOYSA-N 385.895 3.245 0 1 GGAF CCOC(=O)C1=C(OCC)C(=O)O[C@@H]1C1=C(Cl)c2cc(C)c(C)cc2OC1 1911581464 ZQHGAOLPSXADNB-QGZVFWFLSA-N 392.835 3.425 0 1 GGAF Nc1ncnc2c1[C@@H]1[C@@H](N3CCCC3)CCCCN1C(=O)N2c1ccccc1 103202492 LDTHFEOZWKFNBF-WMZOPIPTSA-N 378.480 3.322 0 1 GGAF CCn1cc(-c2cc(C(N)=O)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 116909374 LMOZOXYYIHMKOX-IBGZPJMESA-N 387.361 3.448 0 1 GGAF 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CC(=O)NCCn1c(CC(C)C)nc2c(NCCCc3ccccc3)ncnc21 82179978 IYUMZVFGUHOHGR-UHFFFAOYSA-N 394.523 3.206 0 1 GGAF O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1c(F)cc(F)cc1F 42888149 YQLCEPLIMKLKHI-UHFFFAOYSA-N 380.347 3.114 0 1 GGAF COc1ncc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cc1Cl 84725789 LFQYCOBOTAQALI-UHFFFAOYSA-N 389.864 3.458 0 1 GGAF O=C(Nc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 95555844 JSOXZYPNCVXJSA-KRWDZBQOSA-N 381.457 3.027 0 1 GGAF CCCC[C@@]12[C@@H]3C[C@H]4[C@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 253777058 DTVYAHOULQCSMS-OGGZDYTBSA-N 387.476 3.090 0 1 GGAF CCO[C@@H](C)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@H]3C5 261189237 YLGFGFSODXCCQV-RPFXDYHDSA-N 397.515 3.038 0 1 GGAF Cc1nc2ccc(Cl)cc2c(=O)n1CC(=O)NCc1nc2ccccc2s1 299823183 DBBPIMOPXJUOIM-UHFFFAOYSA-N 398.875 3.284 0 1 GGAF COc1ccc(C[C@@H]2CCCN2C(=O)c2ccccc2-n2nccn2)cc1OC 653779542 RXFUFAWTDDTAMN-KRWDZBQOSA-N 392.459 3.132 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(OC)cc(C)c3N)[nH]c2c1 587249099 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CCOC[C@H]1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 101893906 SAQXZEFKPJEJJL-WPKBUWHJSA-N 395.912 3.166 0 1 GGAF COc1ccc(OC)c(C2=C[C@H](c3cc(OC)ccc3OC)NC(=S)N2)c1 103279101 BQJHJPHEPSZCGL-MRXNPFEDSA-N 386.473 3.281 0 1 GGAF COC(=O)/C(=C/CCc1ccoc1)CC/C=C1\CC[C@H](C(C)(C)O)OC1=O 29042179 JZDFXSMOBHIZBC-WKDFDSEUSA-N 376.449 3.495 0 1 GGAF COc1ccc(CN2C[C@H]3CN(C(=O)CC(C)(C)C)CCN3C(C)(C)C2)cc1 2356767934 ITCYFEQKZSEUTF-IBGZPJMESA-N 387.568 3.238 0 1 GGAF CCOc1ccc(Cc2cc([C@@H]3O[C@H](OC)C[C@H](O)[C@H]3O)ccc2Cl)cc1 45290072 PXKSVTZRXLFMBJ-BURNTYAHSA-N 392.879 3.485 0 1 GGAF Cc1nonc1C(=O)N[C@@H]1CCCc2c1nnn2-c1ccc(C(C)(C)C)cc1 45245742 HTOKQCSNSHYYAP-OAHLLOKOSA-N 380.452 3.064 0 1 GGAF O=C1Nc2ccc(O)cc2/C1=C\c1cccc(/C=C2/C(=O)Nc3ccc(O)cc32)n1 40408296 NQBKKJMYDBWXCZ-GCBPPVMSSA-N 397.390 3.478 0 1 GGAF CCOC(=O)[C@@]1(C(=O)Nc2ccccc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 95594956 FGCWQNPPQKMFQX-ZHRRBRCNSA-N 399.443 3.388 0 1 GGAF CN1[C@H]2C[C@H](OC(=O)/C=C/c3ccccc3)[C@H](Cc3ccccc3)[C@@H]1[C@@H](O)C2 238732099 HZDNTTWETFPTAB-RQIDONMJSA-N 377.484 3.308 0 1 GGAF CCNC(=O)Nc1cc(-n2cccn2)c(C(=O)Nc2cccc(Cl)c2)cn1 299832260 UAACSCYQYYDXIH-UHFFFAOYSA-N 384.827 3.314 0 1 GGAF Cc1cccc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)c1 653873015 VVWFWDWTNZZBES-TWPTVVAISA-N 389.473 3.446 0 1 GGAF CCCc1c(O)ccc2c1O[C@H](c1nc(Br)cnc1N)CC2=O 587461084 WGJGPQUFGIRWJY-LBPRGKRZSA-N 378.226 3.186 0 1 GGAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(I)cnc2[nH]1 587164042 QOLBXRPDVHDANH-CYBMUJFWSA-N 396.207 3.353 0 1 GGAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Cl)ncnc2[nH]1 587114272 YJCSOQJBMRTRTB-HNNXBMFYSA-N 383.761 3.425 0 1 GGAF Clc1ccc(C2=C[C@@H](c3nc4nc(Br)c[nH]c-4n3)ON2)cc1 587077235 SESUZTKRUUOAST-JTQLQIEISA-N 378.617 3.337 0 1 GGAF COC(=O)C[C@@]1(c2ccc(OC)cc2OC)CC(=O)c2cc(C)cc(N)c2O1 587400668 RYCGSJSGVKEODG-OAQYLSRUSA-N 385.416 3.018 0 1 GGAF Sc1nc(S)c2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2n1 587007169 NAOBJVCARPATJB-UHFFFAOYSA-N 379.268 3.236 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586901465 HTJJTAJCJRNOQZ-APWZRJJASA-N 385.489 3.210 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1F)[C@@H](C2)C3=O 587428501 OYTXNFBAUFNWBU-ZQGRQUNCSA-N 377.412 3.160 0 1 GGAF Brc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cn1 586967254 RYOMNJXLYGYVRN-UHFFFAOYSA-N 389.238 3.458 0 1 GGAF CC(C)N1C=C(C(=O)O)[C@@]2(NCCc3c(C(=O)O)cccc32)c2cc(F)ccc21 963124503 RDUKJPDCTWGKDS-QFIPXVFZSA-N 396.418 3.110 0 1 GGAF Fc1ccc([C@H](CN2CCN(c3ccccn3)CC2)NCc2ccccn2)cc1 198329007 FYYIMHNYUIWLQT-QFIPXVFZSA-N 391.494 3.269 0 1 GGAF COc1c(CC=C(C)C)c2c(c(OC(C)=O)c1C(C)=O)C[C@@H](C(C)(C)O)O2 1772620739 CMUGLDJTLLEUBT-INIZCTEOSA-N 376.449 3.406 0 1 GGAF COc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)OCC(Cl)(Cl)Cl 12466356 HZWFFHACBYVHEH-LBPRGKRZSA-N 388.700 3.294 0 3 GGAF COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(I)c21 14947100 JTWFHXHESYOBSQ-SREVYHEPSA-N 384.148 3.260 0 1 GGAF COc1ccc2c(c1O)NC(=O)CN=C2c1ccc(OC)c2c1OC(C)(C)C=C2 1857587856 BWLPFLKTCNIZEG-UHFFFAOYSA-N 394.427 3.383 0 1 GGAF COc1ccc(Oc2ncc3nc(C)c(=O)n(Cc4ccc(F)cc4)c3n2)cc1 4238353 GIKVRACFYYTPEW-UHFFFAOYSA-N 392.390 3.483 0 1 GGAF COC(OC)[C@@H]1[C@H](C)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 2356392121 PRDPORMIEUKBDK-RMBDZISWSA-N 382.460 3.151 0 1 GGAF CC[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccsc1 101129196 NFCNTLMYLMTDEB-ZDUSSCGKSA-N 399.472 3.058 0 1 GGAF CCOC[C@@H]1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 101893902 SAQXZEFKPJEJJL-RVZJWNSFSA-N 395.912 3.166 0 1 GGAF CN(C)CCNC(=O)c1cc2c3c(cccc3n1)C(=O)c1c(Cl)cccc1-2 26161645 HASICVQSKIUTTN-UHFFFAOYSA-N 379.847 3.391 0 1 GGAF CNc1nc2sc(-c3cccc([C@H](C)NC(C)=O)c3)nc2c2c1ncn2C 66251091 APRXYRORERCWAV-JTQLQIEISA-N 380.477 3.484 0 1 GGAF COC(=O)CC[C@]1(C)C2=C(CC[C@@H]1[C@H](O)CO)[C@@H]1CC[C@@H](C(C)=O)[C@]1(C)CC2 2356464017 UTMLHIJEESKUJZ-SEJVMFFFSA-N 392.536 3.421 0 1 GGAF O=c1oc2ncccc2n1CCCN1CCN(c2cccc3ccccc23)CC1 28265046 GFJSFEUHAPSRJP-UHFFFAOYSA-N 388.471 3.355 0 1 GGAF COc1ccc(Nc2nc(-c3cccnc3)ccc2-c2nc(C)nc(N)n2)cn1 113234857 IKSKWBSEVKHQPT-UHFFFAOYSA-N 386.419 3.033 0 1 GGAF CCC(CC)C(=O)N1CCN2[C@@H](CN(Cc3ccc(OC)cc3)CC2(C)C)C1 2356648179 QRMLHRBLOXDMKM-FQEVSTJZSA-N 387.568 3.238 0 1 GGAF CCN(CC)Cc1ccc(C(=O)N2CCc3cccc4c3[C@H]2CNC4=O)cc1 45347193 QDZQRHYQJZFYFB-HXUWFJFHSA-N 377.488 3.011 0 1 GGAF COC1CCC2(CC1)Cc1ccc(Cl)cc1[C@@]21N=C(N)N(CC(F)F)C1=O 139433874 VWSDIIXNMAXQPM-PSMHFXKOSA-N 397.853 3.089 0 1 GGAF CC/C=C\C[C@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C/[C@@H](O)CCC(=O)O 146030547 QBTJOLCUKWLTIC-NJDPZAHNSA-N 376.493 3.461 0 1 GGAF NC(=O)c1ccc(N[C@H]2CNCC[C@H]2c2ccc(Cl)c(F)c2)c2cncnc12 143734722 NSHZNQHXFGNGRZ-SGTLLEGYSA-N 399.857 3.079 0 1 GGAF NC(=O)C1CCN(CCOc2ccc(Oc3nc4ncccc4s3)cc2)CC1 95558589 FLPSMGMQYQHPLM-UHFFFAOYSA-N 398.488 3.060 0 1 GGAF COC(=O)c1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1 96169017 AAEGZXRDDOKMSA-UHFFFAOYSA-N 397.475 3.205 0 1 GGAF COc1cccc(OC)c1-c1cnnc(NCc2nc3ccc(O)cc3s2)n1 95580874 ACAIKDHCKXMLTO-UHFFFAOYSA-N 395.444 3.483 0 1 GGAF C/C=C/c1ccc([C@@H]2[C@H](CO)N3C(=O)CN(Cc4ccc(F)cc4)C[C@@H]23)cc1 95796916 HFXWOQOWUWFQKI-COHNMNMISA-N 380.463 3.030 0 1 GGAF CC[C@]12CCCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(OC)c(O)cc14)[C@@H]32 40430732 ZURZSBHWLYFFBR-FKBYEOEOSA-N 384.476 3.159 0 1 GGAF biogenic,in-vitro CC1(C)OC(=O)C[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 586906959 GFNNASQNSHFBLT-YFKPBYRVSA-N 391.596 3.025 0 1 GGAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cccc(NC(C)=O)c1)[C@@H](C2)C3=O 587430624 WDLWYXQCBPZAQL-GPEVBYCZSA-N 392.455 3.372 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cc4cc(OC)c(OC)cc4nc1O)[C@@H](C2)C3=O 587435183 CHNQPYIIJYLFKZ-ZSEKCTLFSA-N 393.395 3.455 0 1 GGAF COc1ccc(-c2nnc(-c3ccc4nc(C5(O)CCOCC5)[nH]c4c3)o2)cc1 586913276 KPVKPBJOPABASU-UHFFFAOYSA-N 392.415 3.287 0 1 GGAF Cc1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2n1 587170382 ASGQPKRHFHIFTE-GOSISDBHSA-N 396.447 3.473 0 1 GGAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 586964414 YZOTVDDXCNUXEJ-CQSZACIVSA-N 388.449 3.406 0 1 GGAF CCOC(=O)[C@]1(c2ccc(OCC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443616 WSULHEOAVLHWKN-VGOFRKELSA-N 382.412 3.300 0 1 GGAF CS(=O)(=O)c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587133946 FWNNMWRSQSJZCW-UHFFFAOYSA-N 376.356 3.479 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3nn[nH]n3)c2)N1 587797299 RPFFOGHHIVVFJH-JDNHERCYSA-N 388.244 3.392 0 1 GGAF Cn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(N)=O 587344115 VXNGPWXUEGXOJH-SIKLNZKXSA-N 394.402 3.243 0 1 GGAF CCOC(=O)C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346506 JEJIWHBIMUCQCB-NQIIRXRSSA-N 386.375 3.171 0 1 GGAF Nc1cccc(-c2nc([C@@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)co2)c1 963230198 LWMOLPSKWOZANA-AZUAARDMSA-N 386.411 3.160 0 1 GGAF O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1ccc(OC(F)F)cc1 13149766 VLDRLDXWBVSWHM-BRRVFRNMSA-N 395.402 3.101 0 1 GGAF Cn1c(=O)ccc2cc(COc3cccc(C4(CO)CCOCC4)c3)ccc21 13733395 LSCPMLGXPLUGBV-UHFFFAOYSA-N 379.456 3.158 0 1 GGAF COc1cc2cc3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)O[C@H]3O 14641013 YAMJLCCLJCIULP-HXUWFJFHSA-N 380.352 3.414 0 1 GGAF biogenic Cn1c(CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)[C@@H](O)C2)nc2ncccc21 169356212 GGANYXPSWRBDMF-RDJZCZTQSA-N 390.409 3.338 0 1 GGAF Cc1nnc([C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C 202519711 UMDMNBRNMFOPJT-KRWDZBQOSA-N 390.896 3.039 0 1 GGAF COc1cccc(C2=N[C@@](C)(CC(=O)N3CCc4ccccc4C3)ON2C)c1 205217899 XGOMKSKCMLFJSG-JOCHJYFZSA-N 379.460 3.010 0 3 GGAF N[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cncs5)cc34)n2)C1 205254413 XXUBBHDSOYKPNK-LBPRGKRZSA-N 377.477 3.071 0 1 GGAF CC1CC(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)C1 148326934 MLVCKDYTDXPHKG-JCYILVPMSA-N 386.517 3.216 0 1 GGAF Cc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccn2)cc1 8590415 IXIAPCBCWQKMHR-UHFFFAOYSA-N 395.484 3.429 0 1 GGAF O=C(OP(=O)(N1CCOC1=O)N1CCOC1=O)c1ccc2ccccc2c1 58538195 JQQDASGKUSYEGC-UHFFFAOYSA-N 390.288 3.009 0 1 GGAF CC1(C)CN=C(NCCCCCCCCCCCCNC2=NCCCN2)NC1 28865658 SLSHKQJWJKZMHA-UHFFFAOYSA-N 392.636 3.401 0 1 GGAF CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C 66111569 YZMBULROZKNXFM-XLIONFOSSA-N 399.491 3.212 0 1 GGAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)[C@@H](c2cc4c(cc2O)OCO4)CO3)O1 14559503 AOFUWUOPIXODTE-GFCCVEGCSA-N 382.368 3.370 0 1 GGAF biogenic O=C(COCc1cscn1)N1CCN(c2ccc(Cl)cc2Cl)CC1 64573686 BIXHLDRPZYPCAH-UHFFFAOYSA-N 386.304 3.315 0 1 GGAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C(=O)C[C@]4(C)[C@@H](C(=O)CO)CC[C@H]4[C@@H]3CC[C@@H]2C1 137787236 FHPQACKCDZIDIT-QPBADICDSA-N 390.520 3.317 0 1 GGAF CN(C)C(=O)c1cccc(-c2ccc3nnc(-c4ccc5c(c4)OCO5)n3c2)c1 82083121 VWQIDKZYTZCCFZ-UHFFFAOYSA-N 386.411 3.494 0 1 GGAF COc1cccc(CNC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3c(=O)[nH]2)c1 40011862 NNLKQINFGFJMNL-ZWKOTPCHSA-N 389.455 3.298 0 1 GGAF COc1ccc2nc([C@@H]3C[C@H]3c3cc(-n4nc(C)nc4C)nc(C)n3)[nH]c2c1 142996311 XOBZSGZRUIINSE-HUUCEWRRSA-N 375.436 3.139 0 1 GGAF CCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)Nc3ccccc3Cl)C[C@H]21 95894489 NRBNEYGDSAPWKE-GGPKGHCWSA-N 399.878 3.457 0 1 GGAF COC(=O)c1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cn1 586900495 KQCGGBSWRFZERT-UHFFFAOYSA-N 377.356 3.396 0 1 GGAF COC(=O)Cn1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)nn1 587099082 ZPZWFTHMYPXMRD-UHFFFAOYSA-N 384.395 3.186 0 1 GGAF NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587142158 LLXXVCSJBGKJAE-UHFFFAOYSA-N 395.415 3.247 0 1 GGAF N[C@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccc(F)cc1F 587149966 INKABPGOEJNSPR-ZDUSSCGKSA-N 391.321 3.183 0 1 GGAF CC(=O)c1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C 587763722 LQEAVOFRVOFLCZ-XLFHBGCDSA-N 380.261 3.322 0 1 GGAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587767840 BITLSCOMXZCWOI-ABKXIKBNSA-N 379.229 3.393 0 1 GGAF COC(=O)c1ccc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2c1OC 587951695 ITGNVISTJJFAHW-IYXRBSQSSA-N 376.453 3.436 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(=O)c3cnn(C)c3)cc1)O2 587392376 TUYNCESBBYZRRF-LJQANCHMSA-N 377.400 3.236 0 1 GGAF COc1cc2c(cc1OC)[C@](C)(CCCCC(=O)O)NCC21CCOCC1 963189419 PBDDTLLECVJZBH-FQEVSTJZSA-N 377.481 3.215 0 1 GGAF COc1cc2c(cc1OC)[C@](C)(c1ccc3c(c1)n(C)c(=O)n3C)N(C)[C@@H](C)C2 962644464 YBIWDTYJNCRJDG-PSLXWICFSA-N 395.503 3.034 0 1 GGAF Cc1c(O)ccc2c1[C@](C)(c1cccc(Oc3ncccn3)c1)N[C@H](C(=O)O)C2 963467739 GZIMUAAQHMVHOZ-JTSKRJEESA-N 391.427 3.145 0 1 GGAF CCn1cc(C(=O)NC(=S)Nc2ccc(F)cc2)c(-c2ccccc2)nc1=O 1772655499 FXZFXZYMZPKXTP-UHFFFAOYSA-N 396.447 3.196 0 1 GGAF CCn1ncc2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 169711795 HRFFLJFPQHELPV-UHFFFAOYSA-N 377.427 3.018 0 1 GGAF COc1ccc2c(OCc3nnc4ccc(-c5ccnnc5)cn34)ccnc2c1 166082161 NXKZDYUXKLMZOR-UHFFFAOYSA-N 384.399 3.322 0 1 GGAF CC=CC=CC=C[C@]12OCC[C@@H]3OC[C@@](OC(=O)c4ccccc4N)(CO1)[C@@H]32 2356324184 HPYHHCISGKKBRS-PSBKLILYSA-N 383.444 3.015 0 1 GGAF CCOc1ccc(NC(=O)CS(=O)(=O)c2cn(CC)c3ccccc23)cc1 2722203 XBIGJEBMMQAYAN-UHFFFAOYSA-N 386.473 3.472 0 3 GGAF CCOC(=O)[C@H]1[C@@H]2NC(=O)N(Cc3ccccc3)[C@@]1(C)Oc1c(OC)cccc12 3958673 NDVKPDKVBTWJQB-HMFYCAOWSA-N 396.443 3.250 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCCOC 4153348 CRGSUWUMQBDEPW-IEBWSBKVSA-N 388.489 3.391 0 1 GGAF O=C(Nc1nc(-c2ccccc2)ns1)[C@H]1C(=O)N2CCCc3cc(F)cc1c32 100658494 WFLAEKBUUZZTRA-HNNXBMFYSA-N 394.431 3.359 0 1 GGAF CCOC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CCC2)CC1=O 100999815 ZQVXNRZJCUAGKU-ZGDJDIHISA-N 397.515 3.219 0 1 GGAF CCNC[C@H]1CC[C@H](c2c(F)cc3c(=O)c(C(=O)O)cn(CC)c3c2F)C1 29412016 ZNCAVKIBLSJIPL-RYUDHWBXSA-N 378.419 3.491 0 1 GGAF N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NC(=O)c2cccc3ccccc23)CC1 103225859 OGWARBNUWZYESR-UEXGIBASSA-N 379.504 3.078 0 1 GGAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2cccnc2)O3)c1 61927670 RMOLLUDKTBPDDX-JOCHJYFZSA-N 388.427 3.434 0 3 GGAF CCC[C@@H]1COC(=O)N1c1cc(C(=O)N[C@@H](C)CO)cc(-c2ccc(C)cn2)c1 113542617 PGBDATNCBLGHRK-MAUKXSAKSA-N 397.475 3.293 0 1 GGAF O=C(NCCN1CCOCC1)c1ccc(CSCc2cccc(Cl)c2)o1 20730190 ONFZANLRAPIHCG-UHFFFAOYSA-N 394.924 3.428 0 3 GGAF CCOC(=O)CCc1c(C)nc2nc(NCc3ccc(C(C)C)cc3)nn2c1O 21178544 WZDOHUAULYUBIM-UHFFFAOYSA-N 397.479 3.370 0 1 GGAF COc1ccc(C(=O)N2C[C@@H]3CN(c4cnc5ccccc5n4)C[C@@H]3C2)c(C)c1 116827985 AYWXVJSPULPEEJ-CALCHBBNSA-N 388.471 3.155 0 1 GGAF CCOC(=O)Cc1cc(O)cc(O)c1C(=O)CCCCC[C@@H](C)OC(C)=O 2356794694 IBFOIJMFLLVZRV-CYBMUJFWSA-N 380.437 3.288 0 1 GGAF Ic1ccc(Oc2ccc(N3CCNCC3)cc2)cc1 34883786 AFIBQMXKOKSOEJ-UHFFFAOYSA-N 380.229 3.493 0 1 GGAF in-vivo CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CSc1ncccn1 73138836 HYWAVQSKGJMEOR-JKSUJKDBSA-N 375.494 3.066 0 1 GGAF COC(=O)/C1=C\CC[C@](C)(O)[C@H](O)CC/C(C(=O)OC)=C\C=C(/C(C)C)CC1 96915198 VRJMJUCQLYGVBY-JITFZGDKSA-N 394.508 3.234 0 1 GGAF COc1ccc(-n2nc3c4c(cccc42)C(=O)N([C@H]2CN4CCC2CC4)C3)cc1 96169938 XMJVLDMJXCFBRT-NRFANRHFSA-N 388.471 3.084 0 1 GGAF Cc1ccc(S(=O)(=O)N2[C@@H](C)CO[C@H]2CC(=O)c2ccc(F)cc2)cc1 95604601 JTYXOXAFFYMSLW-LIRRHRJNSA-N 377.437 3.143 0 3 GGAF CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(S(=O)(=O)C3CCCCC3)C2)O1 96018986 GPKHTZGGEXYMGW-APWZRJJASA-N 387.542 3.006 0 3 GGAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2C(=O)C2(Cc4ccccc4C2)C[C@H]3[C@H]1C5 253854632 RTJUCZCOZIOVDY-OTZUMCJQSA-N 387.479 3.025 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(F)ccc12 587736903 XGJIVRHCOCUDLJ-QPFGOUBPSA-N 379.204 3.457 0 1 GGAF COc1cc(OC)c2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc2c1 587193881 UTAFMSJAPIDHJU-UHFFFAOYSA-N 383.448 3.100 0 1 GGAF Cc1cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2cc1F 587120758 FUWUYOVWTLPBSX-UHFFFAOYSA-N 393.344 3.434 0 1 GGAF COC(=O)c1cc2nc(-c3ccc([C@H]4C[C@H]4C(=O)OC)cc3)[nH]c2cc1OC 587783844 AWIJXZZGKZVZIY-ZIAGYGMSSA-N 380.400 3.302 0 1 GGAF CCc1ccc([C@]2(CN3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587397384 AJYGYCFSEFJZBE-HSZRJFAPSA-N 380.488 3.333 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(F)cc12 587568632 HZIYZWMJHIZCTR-LAUBAEHRSA-N 377.327 3.341 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1ccc(F)cc12 587734938 SRUWRQOZHKBMQA-LZVRBXCZSA-N 393.231 3.482 0 1 GGAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587769560 GXGFGGKVHCTABU-FVMDXXJSSA-N 379.229 3.393 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2c1 587137052 QNHAWPAHBKJQRQ-UHFFFAOYSA-N 398.410 3.308 0 1 GGAF COc1cccc2c1N(C(C)=O)[C@]13CCC[C@@]4(CC1)[C@@H](OC)CCN1CC[C@@]23[C@H]14 685935772 SBYZZLKGHWVOBE-ISQZKQDNSA-N 396.531 3.495 0 1 GGAF biogenic,in-vitro CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(C(=O)C(C)(C)C)n2c1 585782 DRYZDJFGWFBVCN-FOWTUZBSSA-N 376.460 3.323 0 1 GGAF O=C(NCc1ccccc1)N[C@H]1CCC[C@H](NC(=O)NCc2ccccc2)C1 13493793 UNKDOCMYERTLKJ-PMACEKPBSA-N 380.492 3.296 0 1 GGAF COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1 13588354 DWJWVSNNLQCKNT-UHFFFAOYSA-N 379.388 3.284 0 1 GGAF COc1ccccc1[C@@]1(O)c2ccc3[nH]c(C)c(OC)c(=O)c3c2[C@H]2CC[C@@H]1O2 14884474 VTNKIOPLJCPQRL-IEGUWTFLSA-N 393.439 3.323 0 1 GGAF COc1ccc(CC(=O)N2N=C(c3cccc(C)c3)C[C@@]2(O)C(F)(F)F)cc1 1857636868 UIHRDNXYPUBHLK-LJQANCHMSA-N 392.377 3.434 0 1 GGAF COc1ccc(Cl)cc1[C@@H](C)NC(=O)N(C)S(=O)(=O)c1ccccc1 1857744718 HPXVGGYLFAGRTK-GFCCVEGCSA-N 382.869 3.440 0 1 GGAF COC(=O)c1sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CN)c2c1C 118736726 KWZBDRLOSYBVHP-VIFPVBQESA-N 390.440 3.395 0 1 GGAF COc1ccc(C[C@@H]2CCC[C@H](Cc3ccc(OC)cc3)N2C[C@@H](O)CO)cc1 103297301 ZZXCNZZWIIDXSS-BHIFYINESA-N 399.531 3.065 0 1 GGAF CC(C)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4COC(=O)[C@H](C)O)[C@@]3(C)CC[C@@]2(C)CC1 2356483549 OKWCARPZJVGRQP-UIDCTZFRSA-N 390.520 3.497 0 1 GGAF CCO[C@]1(C)CCC(C(C)C)=C[C@H](O)[C@@](C)(O)CCC=C(CO)CC[C@H]1O 2356806195 VPDZUMODCUBCQJ-CLAROIROSA-N 384.557 3.110 0 1 GGAF NCCCc1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1 34841383 YCMLKWGLPBDWLG-UHFFFAOYSA-N 396.520 3.072 0 1 GGAF CCOc1ccc2c(NNS(=O)(=O)c3ccccn3)c3c(nc2c1)CCCC3 71341025 FLZSZRDJNSONHD-UHFFFAOYSA-N 398.488 3.213 0 1 GGAF CCCCOCCOC(=O)CN(C)C(=O)c1csc(-c2ccccc2)n1 82073984 CKCJSMGWSQWCDD-UHFFFAOYSA-N 376.478 3.242 0 1 GGAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCCNCC5)C[C@@]43C)[C@@H]1CC[C@@H]2O 40954885 XLGRJTZSBSOPMK-WIKDVRPQSA-N 390.612 3.025 0 1 GGAF CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)NCc1ccc(F)cc1 25427749 ILYPBVFQWRRVQR-MSOLQXFVSA-N 383.467 3.416 0 1 GGAF biogenic COc1cccc(NC(=O)N2[C@@H](CO)[C@H](c3ccccc3)[C@@H]2CNCC(C)C)c1 95668260 YWPBOLYUOYTFKH-FDFHNCONSA-N 397.519 3.302 0 1 GGAF C/C=C/c1ccc([C@@H]2[C@@H](CN(CC)C(C)=O)N(C(=O)C3CCC3)[C@H]2CO)cc1 95894932 GEMGWXXASIZGEF-ISUJQMBSSA-N 384.520 3.044 0 1 GGAF CC[C@@H]1[C@@H]2CCCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)C[C@H]([C@H]23)[C@@H]2[C@H](C)C(=O)O[C@@H]12 255214345 GYOGHROCTSEKDY-XNUGAMIZSA-N 375.509 3.015 0 1 GGAF CCOC(=O)[C@H](C)Oc1ccc([C@@H]2NC(=S)N=C(C)/C2=C(\O)OCC)cc1 621475181 OGRVEOPDZQGRKM-SCSQSZHXSA-N 392.477 3.213 0 1 GGAF COc1cc2nc(N3CCCC3)nc(NCCCN3CCCC3)c2cc1OC 299823866 BRMKHNDYIVOXPL-UHFFFAOYSA-N 385.512 3.145 0 1 GGAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(O)ncnc3[nH]2)C[C@@H]2CCCC[C@H]21 587027592 SHKKDJCHWODRFH-MJBXVCDLSA-N 383.477 3.195 0 1 GGAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)C2 586883344 BFOOGYKQKSPTAP-SOUVJXGZSA-N 375.432 3.261 0 1 GGAF COc1cc2nc(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)[nH]c2cc1F 587221613 HYPXTJUYWBNFRO-UHFFFAOYSA-N 387.411 3.290 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(F)c(Br)cc21 587384794 PEEJVSAMSNZZEM-KRWDZBQOSA-N 391.196 3.292 0 1 GGAF O[C@H](CNC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1)c1ccccc1 1772598170 FYGIJAJABTZJIG-SZVBFZGTSA-N 390.491 3.203 0 1 GGAF C[C@H]1C[C@H](C)CN(C[C@@H](O)COCCOc2ccc(Br)cc2)C1 13571703 CYYQCICIVGWIRA-YQQAZPJKSA-N 386.330 3.183 0 1 GGAF O=C(O)CCCCCN1CCc2cc3c(cc2[C@H]1c1ccncc1)OCCO3 1857641074 NQHAUOPGZHFURI-JOCHJYFZSA-N 382.460 3.445 0 1 GGAF O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccccc1F 1857748155 LOEPYMFVNLIJRY-UHFFFAOYSA-N 398.459 3.234 0 1 GGAF Cn1c(CO[C@@H]2CN(Cc3ccc(C(=O)O)cc3)C[C@H]2F)nc2ccccc21 2356300020 SGABQIUQVZYBMT-VQIMIIECSA-N 383.423 3.011 0 1 GGAF c1ccc(N2CCN(c3nnc(Cc4cccnc4)c4ccccc34)CC2)nc1 4056798 MOPNKSIIJXWTMS-UHFFFAOYSA-N 382.471 3.337 0 3 GGAF COCCn1c(=O)c(-c2cccs2)nc2cnc(Oc3ccccc3)nc21 4238608 LLAMMEOPJZSJEG-UHFFFAOYSA-N 380.429 3.354 0 1 GGAF COC(=O)c1cccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)cc2)c1 24801553 NICXUGWQRUHNMN-UHFFFAOYSA-N 396.472 3.402 0 1 GGAF O=C(c1nccs1)c1cnn2c(-c3cccc(NC(=O)C4CC4)c3)ccnc12 28819304 SOKMUVPFBSDFTF-UHFFFAOYSA-N 389.440 3.432 0 1 GGAF CN1CC[C@@H]2C(=O)N3CCc4ccc(-c5ccc6c(c5)OCO6)cc4[C@@H]3C[C@@H]21 61942578 KCFSVDQIABLTJA-IHPCNDPISA-N 376.456 3.232 0 3 GGAF CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OC[C@H]3CCOC3)nc2s1 69063327 VKXYARKCCDVKTJ-LBPRGKRZSA-N 399.476 3.310 0 1 GGAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@@H](CC)N2 82208050 VGIWCJZZRYOXQP-QGZVFWFLSA-N 388.487 3.250 0 1 GGAF NCCOc1c(-c2cccc(Br)c2)[nH]c(=O)c2cc(F)ccc12 149088598 DOKFTMCJGVGNMI-UHFFFAOYSA-N 377.213 3.434 0 1 GGAF CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1 95566458 VRXLREJPRYVDDB-OAQYLSRUSA-N 376.508 3.385 0 3 GGAF O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2F)cc1)c1ccccc1 95895448 YYGZBTVEQGUGPO-DNVJHFABSA-N 390.458 3.339 0 1 GGAF CC1=C[C@@H]2C3=C(C)CCC[C@H](O)C3=CC(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C 238766854 FYDJLDITTIQVBM-GTAZRORDSA-N 399.531 3.443 0 1 GGAF CCC(=O)Oc1c(OC)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 95593892 GZYOGNGJYUJUBO-KRWDZBQOSA-N 381.428 3.395 0 1 GGAF Cc1c(C(=O)O)nc(-c2ccc3c(n2)C(=O)N=CC3=O)c2[nH]c3ccccc3c12 238761006 GJWYBIAVHIPGQU-UHFFFAOYSA-N 384.351 3.192 0 1 GGAF C[C@]12CC[C@@H]3[C@H]4CC[C@@](C)(O)C[C@H]4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)Cn1ncnn1 299852106 NKIYALPHXLYICR-WMCSDWRFSA-N 386.540 3.262 0 1 GGAF CS(=O)(=O)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587007696 PLIVDXZWBOQDGB-UHFFFAOYSA-N 391.250 3.272 0 1 GGAF COc1cccc2c1[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587797919 SSPHEZDCAQFMAE-LZVRBXCZSA-N 391.240 3.327 0 1 GGAF CS(=O)(=O)c1cccc(-c2nc3cccc(I)c3[nH]2)c1 586925085 FSMVJXVVTXROOL-UHFFFAOYSA-N 398.225 3.238 0 1 GGAF CCOC(=O)CNc1ccc(-c2nc3cc(C(=O)OC)c(OC)cc3[nH]2)cc1 587223333 CCXDYGFKDGRKJV-UHFFFAOYSA-N 383.404 3.000 0 1 GGAF Nc1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2cc1N 586922279 SIWUKVFMXUEPHK-UHFFFAOYSA-N 378.457 3.368 0 1 GGAF CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c12 587095525 IWUHWBGMDCFEKG-UHFFFAOYSA-N 384.383 3.081 0 1 GGAF Cn1cccc1CN1CCc2sccc2[C@H]1[C@H]1COC(C)(C)N1C(=O)O 962400337 UNHVFMYJLXCWKE-WBVHZDCISA-N 375.494 3.301 0 1 GGAF CCn1cccc1[C@@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963153617 WPTBXLCIISXZDK-UONOGXRCSA-N 377.466 3.300 0 1 GGAF CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962915871 VRACXGGICHPLGZ-KUDFPVQQSA-N 392.471 3.429 0 1 GGAF CCOC(=O)CC[C@@]1(C(F)(F)F)NCCc2cnc3c(OC)cccc3c21 963049237 BJZSTOMWVOGAIL-GOSISDBHSA-N 382.382 3.490 0 1 GGAF Cn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 13472327 TWURXTVPZRAVFY-UHFFFAOYSA-N 392.354 3.054 0 1 GGAF COCCNC(=O)C[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 13681889 LQHCZQAKWAQLJZ-QKZKXAEISA-N 385.504 3.196 0 1 GGAF N[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1 205245837 HYWSOTQNDXXXJB-INIZCTEOSA-N 385.475 3.400 0 1 GGAF Cc1cc(-c2cnc(OCC(C)C)c(Cl)c2)ccc1C(=O)NS(C)(=O)=O 1857588306 KZUHEMJXVZBCRR-UHFFFAOYSA-N 396.896 3.435 0 1 GGAF COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)cc1 3956377 IRICYWNKQLXYIJ-OAQYLSRUSA-N 383.448 3.448 0 1 GGAF COc1cc([C@H]2OC[C@H]3[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@@H]23)ccc1O 6735852 VJOBNGRIBLNUKN-VMHCRYLRSA-N 388.416 3.199 0 1 GGAF COc1ccccc1CNC(=O)CN1C(=O)c2cccnc2Oc2ccccc21 6751313 ZMNFIRARTYBPOU-UHFFFAOYSA-N 389.411 3.159 0 1 GGAF CC1=C[C@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1 2356447389 QOXAXCCVMIMNOO-ZVDOUQERSA-N 383.536 3.469 0 1 GGAF CCOC(=O)[C@@H]1[C@H]2NC(=O)N(Cc3ccccc3)[C@@]1(C)Oc1c(OC)cccc12 101907842 NDVKPDKVBTWJQB-SPEDKVCISA-N 396.443 3.250 0 3 GGAF Cc1cc(CN(C)Cc2ccc(-c3nc(-c4ccccn4)cc(=O)[nH]3)cc2)n[nH]1 20857958 WCBFBIAMVRBFEA-UHFFFAOYSA-N 386.459 3.162 0 1 GGAF Cc1cccc(OC2CN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)c1 116981306 AVCZTAZZAIMTDD-OAHLLOKOSA-N 393.491 3.367 0 1 GGAF CCSc1cc(=O)c2cc(F)c(N3CCNCC3)c(OC)c2n1C1CC1 72179645 GAXOPHGVZYUIFJ-UHFFFAOYSA-N 377.485 3.006 0 1 GGAF Cn1c(CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)[C@H](O)C2)nc2ncccc21 71317893 GGANYXPSWRBDMF-DOTOQJQBSA-N 390.409 3.338 0 1 GGAF COCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc(F)cc1 82141301 LTWQBZDKBGGRQM-UHFFFAOYSA-N 384.411 3.172 0 1 GGAF COc1ccc(Oc2nc(NC[C@H]3CCCO3)nc(N3CC=CCC3)n2)cc1 82066817 NRXSIMUDHWBHSG-QGZVFWFLSA-N 383.452 3.030 0 1 GGAF O=C(Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1)C1CC1 95602129 VHLUMRPXORICSP-UHFFFAOYSA-N 377.404 3.219 0 1 GGAF Oc1nc(O)c2ccc(-c3cn(Cc4ccc(Cl)cc4Cl)nn3)nc2n1 587368754 OGCNVYIEMHEOBY-UHFFFAOYSA-N 389.202 3.050 0 1 GGAF COC(=O)c1ccnc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc12 587076715 NZNYCIWCUBPRKF-UHFFFAOYSA-N 383.795 3.233 0 1 GGAF N=c1nc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c(Cl)[nH]1 587081028 KESDDBZDYGQDIP-UHFFFAOYSA-N 397.229 3.449 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c3oc(=N)[nH]c3c2)N1 587744295 GWRDBQGFAVVDSF-KWKYVRJSSA-N 392.228 3.471 0 1 GGAF Cc1nn(Cc2nc3cc(Br)cnc3[nH]2)c(C)c1Br 586979153 RGHITEOMGDRDNP-UHFFFAOYSA-N 385.063 3.345 0 1 GGAF NC(=O)c1cccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586998677 ODVVWOAPDGBTKK-SNAWJCMRSA-N 386.205 3.323 0 1 GGAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cncc(N)c3)[nH]c2c1 587253674 GMQKMAJRZMGLPQ-UHFFFAOYSA-N 395.444 3.017 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)c(OC)cc1CC(=O)O)[C@@H](C2)C3=O 587444138 RYBGPBRZUKFVSF-NYHFZMIOSA-N 398.411 3.002 0 1 GGAF Cc1nn(C)c(N(C)C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587756441 LARBXYDEMSZRAX-XXFAHNHDSA-N 381.293 3.320 0 1 GGAF CCCc1c(O)ccc2c1O[C@](C)(C1(C(=O)OC)CC(OC)(OC)C1)CC2=O 587481166 QAAGBBMBXHAXPZ-IBGZPJMESA-N 392.448 3.011 0 1 GGAF CS(=O)(=O)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587127221 PDECMQGUUDTEQN-UHFFFAOYSA-N 396.350 3.408 0 1 GGAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587079869 LLFKCVIWNADIFS-CYBMUJFWSA-N 390.852 3.187 0 1 GGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CC(=O)c1cnn(C)c1C)C(F)F 963612591 SRYLUFHVJYVIOU-PRWKNARSSA-N 393.434 3.013 0 1 GGAF COCOc1ccccc1[C@@]1(c2ccccn2)NCCc2nc3ccccn3c21 962987525 NCHAWJISRBUDBN-QHCPKHFHSA-N 386.455 3.150 0 1 GGAF COc1cc2oc(=O)cc(-c3ccccc3)c2cc1OCCN1CCOCC1 1772590786 UJLSJYJALDHGCO-UHFFFAOYSA-N 381.428 3.180 0 1 GGAF Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2cc[n+]([O-])cc2)cc1 12197481 DVIUGNCLONDWSR-LJQANCHMSA-N 376.460 3.258 0 3 GGAF CC/C=C\C[C@H](O)/C=C/C=C\C=C\C=C\[C@H](O)[C@@H](O)C/C=C\CCC(=O)O 12496203 OIWTWACQMDFHJG-LDOXQWQISA-N 376.493 3.461 0 1 GGAF endogenous,in-man C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)CCCOCc1ccccc1 13518251 BVUDEDUWOUOVQN-UKTHLTGXSA-N 380.270 3.156 0 1 GGAF COc1ccc2c3c1O[C@@H]1C(=O)C[C@H](c4ccccc4)[C@H]4[C@@H](C2)N(C)CC[C@@]314 169369219 QXZJMGDZMLKVKQ-NGPVTYFUSA-N 375.468 3.327 0 1 GGAF CCc1c(-c2cccc(N3CC[C@@H](N(C)C)C3)c2)nc(O)c2c(O)nsc12 1857581881 JIBGFYNTKACTHM-CQSZACIVSA-N 384.505 3.472 0 1 GGAF NCCCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 1857599242 KZMXANNHHWLLCK-LBPRGKRZSA-N 381.320 3.244 0 1 GGAF COc1ccc(-c2cc(Cn3cc(-c4ccc(CO)cc4)nn3)on2)cc1OC 1857651915 ZETUTHJIAUDGQB-UHFFFAOYSA-N 392.415 3.158 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(C)=O)C[C@@H](O)[C@@]32O)C1 2356469817 BTNNVJKPKCBODD-NAVIBDNMSA-N 390.520 3.172 0 1 GGAF CCN(CC)CCCOc1c(OC)ccc2[n+]1CCc1cc3c(cc1-2)OCO3 28865077 FNZDUXSAILVVMN-UHFFFAOYSA-N 385.484 3.045 0 1 GGAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccccc2)O3)cc1 61929572 YUPMKLMHZPJCGW-NRFANRHFSA-N 387.439 3.327 0 3 GGAF NC[C@H]1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 39141782 IQUZMJQNGTWIKG-SNVBAGLBSA-N 393.846 3.002 0 1 GGAF CS(=O)(=O)N(Cc1nc(-c2ccc(F)cc2)no1)c1ccccc1Cl 36386624 JZMPJTOBPBWTIR-UHFFFAOYSA-N 381.816 3.495 0 3 GGAF CC[C@H](C(N)=O)N1C[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O 34291474 CYKQOGRIBMLQSQ-BXKDBHETSA-N 382.304 3.304 0 1 GGAF O=C1NCC2(CCNCC2)c2[nH]c(-c3ccnc(-c4cc5ccccc5o4)n3)cc21 71341182 YIOWMBJTJDJKEK-UHFFFAOYSA-N 399.454 3.250 0 1 GGAF CCO[C@H]1C[C@H](C(C)C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40834129 HCDYETISSKXKAT-ZBFHGGJFSA-N 380.876 3.337 0 1 GGAF O=c1cc(O)n(CCc2cccc(C(F)(F)F)c2)c(=O)n1[C@@H]1C[C@@H]2CC[C@H]1C2 96270085 KNVCJPJDROZVBB-IJEWVQPXSA-N 394.393 3.338 0 1 GGAF COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1Cl 141853902 MMDOXFZLVNQHNH-GFCCVEGCSA-N 383.835 3.474 0 1 GGAF CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2n[nH]c(=O)[nH]2)=N1 95602950 VFPDPDSUNOZPME-KRWDZBQOSA-N 395.894 3.406 0 1 GGAF COc1ccc(N(C)C(=O)Cn2c(=O)oc3ccc(-c4ccncc4)cc32)cc1 96939246 WESPBOHQUSPBQU-UHFFFAOYSA-N 389.411 3.328 0 1 GGAF CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@H](N)CCSC 253683993 FKRBSIPVULUMDG-VELGLUOQSA-N 376.566 3.304 0 1 GGAF CCCOC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 473082671 KRTKBGVAKDCIEF-FQEVSTJZSA-N 377.444 3.302 0 1 GGAF CN1CCC(n2nnc3c2CC[C@@H](c2nc(-c4ccc(F)cc4)no2)C3)CC1 653767970 OYDHXEOEQLGKGX-CQSZACIVSA-N 382.443 3.006 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(Br)ccc41)[C@@H](C2)C3=O 587416674 FARHXBJRXBSKAO-SGTLLEGYSA-N 386.201 3.053 0 1 GGAF O=C(O)c1cc(-n2c(O)cc(Cc3ccccc3)c2O)c(Br)cn1 587942357 WFYZCKVNBVPEEW-UHFFFAOYSA-N 389.205 3.335 0 1 GGAF CCOC(=O)[C@]1([C@@H]2CCCC2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587798525 OUJPPWSXYJVMCF-AJLCLMPTSA-N 398.272 3.250 0 1 GGAF CC(C)(C)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2n1 587135516 FMNMKGLNXKOXFC-UHFFFAOYSA-N 398.410 3.151 0 1 GGAF CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4cccc5c4c(c3[C@H]2[C@H]1C(=O)O)CC5 587213164 UDUXBCLDGLNSEM-KHDYIWLOSA-N 380.444 3.293 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc3nc(O)n(c23)CC[C@@H]1N=O 587395889 VRRCAOLRVIPUMY-JXFKEZNVSA-N 378.388 3.032 0 1 GGAF CCOC(=O)C(=O)C[C@]1(c2ccccc2C)CC(=O)c2cc(C)cc(N)c2O1 587399011 HGVUGDNBGPKNCH-QFIPXVFZSA-N 381.428 3.269 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(=O)N1CCCC1 587867187 XPKUMPHDVIKVLS-UHFFFAOYSA-N 381.354 3.230 0 1 GGAF CNC[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587739360 ATMYCXBBMWFRQV-BBATYDOGSA-N 379.273 3.291 0 1 GGAF CCNC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343334 JXGHRLMTNGKWTN-IBGZPJMESA-N 398.434 3.454 0 1 GGAF NC(=O)c1cc2c(nc1O)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587103313 FJVNGKCDYNDAJX-UHFFFAOYSA-N 393.402 3.411 0 1 GGAF COc1ccc2c(c1OC)[C@]1(c3cc(Cl)ccc3OC[C@@H]1N)N(C)[C@@H](C)C2 962575053 VNOHUNLVUQBWJY-JPHFQCMKSA-N 388.895 3.197 0 1 GGAF COc1ccc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1C(=O)O 962772332 VYTNCXVUVZTDIY-GOEBONIOSA-N 379.334 3.129 0 1 GGAF O=C(O)C1=C[C@]2(C=CO1)NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962955765 LVLPRRDJSCZVPI-SFHVURJKSA-N 381.350 3.065 0 1 GGAF Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1 5067106 IBJBUQQKZGKPTK-GOSISDBHSA-N 395.484 3.335 0 3 GGAF COC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cccc(OC)c1 13680308 AOJLBEPGQRROBG-UHFFFAOYSA-N 379.821 3.449 0 1 GGAF CC(=O)N[C@@H]1CC[C@@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201103990 YKPSMQFFZJXOCA-JAVNYVMFSA-N 384.520 3.138 0 1 GGAF Cc1nc([C@H]2C[C@@H]2c2nc3cc(F)c(F)cc3[nH]2)cc(-n2nc(C)nc2C)n1 205281078 MTCUVANHCYZQST-RYUDHWBXSA-N 381.390 3.408 0 1 GGAF CCc1nc(C)nc(Oc2ccc(OCCOc3ccc(C)cc3C)nn2)n1 1857558953 KQBVTTRFUNNTEM-UHFFFAOYSA-N 381.436 3.399 0 1 GGAF COc1cccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)COc2ccccc2)c1 866255 XEJDGBMYNLFMQH-SFHVURJKSA-N 394.349 3.070 0 1 GGAF CCc1ccc([C@@H]2CN3C(=O)CN(C)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1 2131875 SHILCYCHILJWKF-MHECFPHRSA-N 387.483 3.392 0 1 GGAF biogenic CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)c1ccco1 4546712 UHIBVKMQCGHNAF-ROUUACIJSA-N 394.512 3.002 0 1 GGAF CCn1cc(-c2cc(C(N)=O)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 116909375 LMOZOXYYIHMKOX-LJQANCHMSA-N 387.361 3.448 0 1 GGAF O=C1NCCCC[C@H]1N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 28957590 AAUYNLNUWXYMOX-GOSISDBHSA-N 392.908 3.200 0 1 GGAF CC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N1CCN(C2CCCCC2)CC1 20977171 AOWBCDNHPXYGDQ-UHFFFAOYSA-N 391.512 3.249 0 1 GGAF COc1cc2nc3c(c4c2c(c1OC)NCC4)CCc1cc(OCCN)ccc1-3 28013112 XGVZDKSLHNVFOJ-UHFFFAOYSA-N 391.471 3.323 0 1 GGAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 2356651189 FJLRVAGPNRNSFD-SCTDSRPQSA-N 392.540 3.271 0 1 GGAF O=c1c(NCCc2c[nH]c3ccccc23)nccn1-c1ccc2c(c1)OCCO2 35426883 VIJJCDUQXIMDJG-UHFFFAOYSA-N 388.427 3.140 0 1 GGAF O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)NC12CC3CC(CC(C3)C1)C2 36330679 YBQCODYUHNADGA-UHFFFAOYSA-N 387.446 3.055 0 1 GGAF COc1cccc(CC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1 42889893 CRLXNFWDRUEBSQ-UHFFFAOYSA-N 390.399 3.233 0 1 GGAF CCCCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O 45348512 HNPPNTDYMQODJA-UHFFFAOYSA-N 392.459 3.309 0 1 GGAF CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccc1OC)C(C)C 43154484 BAJRFQONTFZRAL-QAPCUYQASA-N 393.484 3.064 0 1 GGAF Cc1c(O)ccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc12 84652939 FIRJXFZIOPYNKD-UHFFFAOYSA-N 390.447 3.274 0 1 GGAF COCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccccc2F)n1 82152886 JVBZZPZICNKUCS-GASCZTMLSA-N 386.471 3.459 0 1 GGAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C3CCOCC3)nnc2c1 84741389 TUJFFDGKERHYEX-UHFFFAOYSA-N 376.460 3.491 0 1 GGAF COC(=O)N1CCc2cc(O)c(OC)c3c2[C@@H]1Cc1cc(OC)c(OC)cc1-3 238788323 HUNDOXNVOAEPPU-AWEZNQCLSA-N 385.416 3.307 0 1 GGAF O=C(C1CC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl 95894345 AMFAFERRWVUJGK-NJYVYQBISA-N 382.891 3.426 0 1 GGAF CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)NC3CCCCCCC3)nc12 95587303 LNFQVOOEFSOUIR-UHFFFAOYSA-N 391.493 3.155 0 1 GGAF CCCN1CC([N+](=O)[O-])=C2N(C[C@H]3CCC[C@H]3N2Cc2ccc(Cl)nc2)C1 299847940 TVLPSSZZIGNLEH-HZPDHXFCSA-N 391.903 3.150 0 1 GGAF Cc1ccnc2[nH]c(-c3ccc4ncc(I)n4c3)nc12 587187331 DUUZEWUIUJJSRV-UHFFFAOYSA-N 375.173 3.186 0 1 GGAF CN(C)C(=O)C[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587574201 VUVFRXHCNOXDNZ-OSGPJOMKSA-N 381.428 3.371 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnn2-c2ncccn2)N1 587758386 IRCYCGPSKJXXNF-QLJPJBMISA-N 388.244 3.188 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C(=O)O)n2)N1 587775061 YNJJMHQBTPWGCN-HUTHGQBESA-N 379.229 3.479 0 1 GGAF Oc1nc(S)nc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587080226 BFOUURNHVADTRA-UHFFFAOYSA-N 395.835 3.377 0 1 GGAF COc1cc(Br)c([C@H](N)c2nc3ccc(Cl)nc3[nH]2)cc1OC 586974601 FFTIWFCIGIJDDP-ZDUSSCGKSA-N 397.660 3.439 0 1 GGAF CCS(=O)(=O)c1cccc(Cc2nc3cc(Br)ncc3[nH]2)c1 586921912 HNOGNRPYUPJBMJ-UHFFFAOYSA-N 380.267 3.105 0 1 GGAF O=C1C[C@H](Cc2nc3nc(Cl)c[nH]c-3n2)c2c(Br)cccc2O1 587004526 VYQXACQWJRNDPT-ZETCQYMHSA-N 393.628 3.356 0 1 GGAF O=C(NCc1nc2cc(Br)ncc2[nH]1)c1cc2c(s1)CCC2 587034419 IOWVNCUGUBLDNP-UHFFFAOYSA-N 377.267 3.201 0 1 GGAF NC1CCC(c2nc3c(I)cnc(Cl)c3[nH]2)CC1 587256874 SEIFBDZFXKIOAO-UHFFFAOYSA-N 376.629 3.201 0 1 GGAF Cn1cccc1CN1CCc2sccc2[C@@]12CCCC[C@H]2S(C)(=O)=O 962399445 PTNCOIOBIPCBML-RTBURBONSA-N 378.563 3.327 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@H](c3ccc(OC[C@H]4CCCO4)cc3)c3cccc1c32 963033107 PNDIUFYVPOIGSK-JTUHZDRVSA-N 378.472 3.387 0 1 GGAF O=C([C@@H]1Cc2ccccc2[C@](c2ccccc2F)([C@H]2CCNC2)N1)C(F)(F)F 962769605 SJQLXTYYMVFXTJ-DCPHZVHLSA-N 392.396 3.325 0 1 GGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc(F)ccc1N1CCOCC1 963605676 GYTOJVOKIYOFOF-PEBXRYMYSA-N 386.467 3.303 0 1 GGAF Cn1c(C(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)cc2sccc21 5085058 KRAIUGRKDJPJNF-INIZCTEOSA-N 381.501 3.408 0 3 GGAF O=C(c1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2CC(Cc3ccccc3)=NO2)C1 15002562 CMFKGPYMGQEOEQ-TZIWHRDSSA-N 376.456 3.496 0 1 GGAF CCN1CCN([C@H](C(=O)NC2CCCCC2)c2ccnc3ccccc23)CC1 169304752 QEYHJZMKHNWZOC-QFIPXVFZSA-N 380.536 3.362 0 3 GGAF C[C@@H](C(=O)Nc1ccc(Cl)cn1)N(c1ccccc1Cl)S(C)(=O)=O 169304105 VIHLNRVJUSSLDL-JTQLQIEISA-N 388.276 3.182 0 1 GGAF CC(C)n1c(=O)n(Cc2nc3ccccc3n2CCN(C)C)c2ccccc21 594344 NRHXMBXHUZVUBS-UHFFFAOYSA-N 377.492 3.344 0 1 GGAF Cc1n[nH]c(N)c1-c1nc2ccc(S(=O)(=O)NCc3ccccc3)cc2s1 114397833 ZWAUWWBFABDNNP-UHFFFAOYSA-N 399.501 3.056 0 1 GGAF Nc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 29551084 ZLVACKXHOARHHA-UHFFFAOYSA-N 398.938 3.414 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@H](N1CCN(Cc3ccccc3)CC1)CC2 29039241 OOGYMCIFGCYJQS-HXUWFJFHSA-N 380.488 3.019 0 1 GGAF O[C@H](CCN1CCN(c2ccc(Cl)cc2)CC1)COc1ccc(F)cc1 29484595 HBWOIOQZXNYDHH-LJQANCHMSA-N 378.875 3.431 0 1 GGAF CC(=O)OC[C@@H]1[C@@H](Cc2ccc3c(c2)OCO3)CO[C@H]1c1ccc2c(c1)OCO2 2356693132 YXTPTAIGIJPTGR-JKSBSHDWSA-N 398.411 3.254 0 1 GGAF COc1ccc2sc(NC(=O)CN3CCN(c4ccccc4)CC3)nc2c1 73155951 MCVDQJIJYOOERI-UHFFFAOYSA-N 382.489 3.066 0 1 GGAF Cn1cc(-c2ccc3nc(Nc4ncccn4)cn3n2)c(-c2ccc(F)cc2)n1 220874275 VAXWCYNCFMAVPO-UHFFFAOYSA-N 386.394 3.470 0 1 GGAF O=C1CCCN1CCCn1c(-c2cccs2)nc2c(NCC3CC3)ncnc21 82181667 QLGALDKUJHOIHH-UHFFFAOYSA-N 396.520 3.389 0 1 GGAF CC1(C)CN=C2C(=O)c3cc(NS(=O)(=O)c4ccccc4F)ccc3N2C1 45392953 HFAMWLLEZDOVIP-UHFFFAOYSA-N 387.436 3.068 0 1 GGAF CCS[C@@H]1[C@H](SCC)[C@@H](CO)O[C@H]1n1cc(-c2ccc(OC)cc2)nn1 45388658 GKHLIZPZMNMLPP-BRSBDYLESA-N 395.550 3.087 0 1 GGAF COc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)nc1 147826004 JHTSSJJDGMRWJO-UHFFFAOYSA-N 386.411 3.378 0 1 GGAF CC(C)C(=O)c1c[nH]c2ncc(-c3cccc(/C=C(\C#N)C(=O)N(C)C)c3)nc12 149003304 WBHSCCQEOHJYER-CXUHLZMHSA-N 387.443 3.459 0 1 GGAF CN1CCC(NC[C@@H](O)COc2ccc3cc(Br)ccc3c2)CC1 96903468 JIRODWLZHQDZBM-GOSISDBHSA-N 393.325 3.026 0 1 GGAF C/C=C/c1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)c1ccc3c(c1)OCO3)[C@H](CO)N2 95668672 KPQFPTJQJLCQRM-VWHLKWQOSA-N 392.455 3.438 0 1 GGAF CCNC(=O)CCc1nc2c(Br)ccc(Br)c2[nH]1 587231524 YDKOGJGDXPTRQY-UHFFFAOYSA-N 375.064 3.157 0 1 GGAF O=C(O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587607326 HYMWFSBSHBKPIK-FXAWDEMLSA-N 378.336 3.499 0 1 GGAF CCOC(=O)[C@@H](Cc1ccc(C(C)C)cc1)c1ccc2c(O)nc(O)nc2n1 587559982 RVXGKKHYKBKIHF-INIZCTEOSA-N 381.432 3.449 0 1 GGAF C[C@@H]1C[C@]2(CC[C@H]1C(=O)O)N[C@@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962716569 WVRZVVSSGSNGMN-DUGWFHAASA-N 389.345 3.160 0 1 GGAF COc1cc2c(cc1OC)[C@@](C)(c1ncccc1OC)NCC21CCOCC1 963182913 AFZWHFUWCCNWPE-NRFANRHFSA-N 384.476 3.022 0 1 GGAF CC(=O)Nc1ccc2c(c1)CC[C@@]21N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962732319 ZMCBEENFIDZZHW-QUCCMNQESA-N 388.389 3.481 0 1 GGAF CC(C)(C)c1cc(NC[C@@H]2[C@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)no1 208091610 SZVUOZVUDJCILG-PBHICJAKSA-N 377.510 3.471 0 1 GGAF C[C@H](CC(N)=O)N[C@@H](c1ccc(Cl)c(C(=O)c2ccncc2)c1F)C1CC1 1772579648 RNVTUVXCZSRZNM-NSPYISDASA-N 389.858 3.410 0 1 GGAF CN(C(=O)COc1cccc2cccnc12)c1ccccc1N1CCOCC1 1772646552 CQYDFYYQEBTAKH-UHFFFAOYSA-N 377.444 3.113 0 1 GGAF COc1cccc(CNC(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)c1OC 11944320 XLWAEQNRDSIUQF-SFHVURJKSA-N 388.508 3.139 0 3 GGAF CCCCCC1(/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O)OCCO1 169315841 OEGVQAJSELNWIH-YTQRGFKYSA-N 396.524 3.425 0 1 GGAF O=C(NCCc1ccc(NC(=O)N2Cc3ccccc3C2)cc1)[C@H]1CCCO1 166983186 YJJXSHSRQDICPP-HXUWFJFHSA-N 379.460 3.072 0 1 GGAF O=C(CCN1CCCCC1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 168475329 BITLIGPQZSKYDK-UHFFFAOYSA-N 394.519 3.054 0 1 GGAF COc1ccc(N(C(=O)NCCCn2cncc2C)c2ncco2)cc1OC 1857603414 FTSRXEZXCZIDHI-UHFFFAOYSA-N 385.424 3.135 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(=O)CO)CC[C@@]32O)C1 2356405161 JFRJVZILATYGJH-KBOVCKPBSA-N 392.536 3.253 0 1 GGAF COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@](=O)C3)c1 2725002 SDVNINYNJKPZGU-MHZLTWQESA-N 385.420 3.035 0 1 GGAF COc1ccc2cc3c(N)nn(C(=O)c4ccc(Br)o4)c3nc2c1 4939914 ZMLFEZFCYZJIAQ-UHFFFAOYSA-N 387.193 3.219 0 1 GGAF COc1cc(Br)cc(-c2noc([C@@H]3CCCN(C)C3)n2)c1OC 103285082 BMLYDPYFLMNUPC-SNVBAGLBSA-N 382.258 3.326 0 1 GGAF O=C1Nc2ccccc2O[C@H]2C[C@H]1N(C(=O)c1ccc(C(F)(F)F)cc1)C2 2356308188 XVQSQGWCJFGPJL-DZGCQCFKSA-N 376.334 3.320 0 1 GGAF CC1=C[C@H](CNC(=O)c2cnccn2)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 2356320398 DPPWNLYREVUJSK-IPMKNSEASA-N 384.524 3.074 0 1 GGAF COc1cccc(C2CCN(c3[nH]c(=O)[nH]c(=O)c3Cc3ccccc3)CC2)c1 28708044 NUWSZYDKNVZTCJ-UHFFFAOYSA-N 391.471 3.047 0 1 GGAF O=c1[nH]c2c(C(F)(F)F)cccc2c(=O)n1CCCCCCn1ccnc1 26377630 QKSFKAILFIGLGA-UHFFFAOYSA-N 380.370 3.166 0 1 GGAF COC(=O)N1C=CC=C([C@@H]2C(C(=O)OC(C)C)=C(C)N=C(C)/C2=C(/O)OC)C1 27732339 CIKJOKVAEGHSDZ-XMGGNUPJSA-N 390.436 3.241 0 1 GGAF CCOC(=O)[C@H]1C[C@H]2[C@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CC2)CC1=O 28108701 OMQFDHLDCXPTBM-IKQBDLNTSA-N 397.515 3.132 0 1 GGAF CNC(=O)C[C@H]1C(=O)N(C2CCCCC2)C[C@@H]1c1ccc(Br)cc1 61923213 INGGKGHCTMVTMI-IAGOWNOFSA-N 393.325 3.460 0 3 GGAF CC[C@H]1C[C@@H](OC(C)C)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40914537 MUEATHRPEZMEOE-GOEBONIOSA-N 380.876 3.479 0 1 GGAF CC(C)C[C@H]1CNC(=O)C(=O)N1CC1CCN(CC[C@@H](C)c2ccccc2)CC1 199369671 NYCBAZXAFHTKLZ-KNQAVFIVSA-N 399.579 3.265 0 3 GGAF COC(=O)C1=C(C)N(C)C(NCC2CC2)=N[C@@H]1c1cccc(C(F)(F)F)c1 199423194 MNYNYGVYCUNJSO-MRXNPFEDSA-N 381.398 3.495 0 3 GGAF COc1ccc(-c2c(OC)oc3c(O)c(OC)c(OC)cc3c2=O)cc1OC 238736761 LQCILMYBMVGKRM-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF COc1cc(C(=O)c2c(C3=NCCO3)[nH]c3ccccc23)cc(OC)c1OC 95593993 UKMWIKJVFJVOMD-UHFFFAOYSA-N 380.400 3.202 0 1 GGAF COc1ccnc(NC(=S)N2CCN(c3cccc(C(F)(F)F)n3)CC2)c1 95569774 JUHWHFPVYJJVMQ-UHFFFAOYSA-N 397.426 3.023 0 1 GGAF CN(C(=O)c1csnn1)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 254051134 NDODKZUMWUDXJB-DJSGYFEHSA-N 380.464 3.017 0 1 GGAF CCCCC[C@H](C[C@H](O)CCc1ccc(O)c(OC)c1)SC[C@H](N)C(=O)O 299853082 FLGFJDUPADXJHD-ZACQAIPSSA-N 399.553 3.178 0 1 GGAF COc1cccc(NC(=O)NC(=O)CSc2nc3ccccc3nc2C)c1 653825371 BBFZWZYDPSPKFS-UHFFFAOYSA-N 382.445 3.387 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)N(C)C)c(Cl)c1)O2 587372906 BKAKDACLGZEDCD-SFHVURJKSA-N 388.851 3.404 0 1 GGAF COC1=C[C@]2(C[C@@H](C(=O)O)C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587601357 SGWDBGWVHTVLDV-LJOBPSPCSA-N 382.368 3.118 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(S(=O)(=O)N(C)C)c1)CC2=O 587490264 WRTJZPKRHWZBSD-LJQANCHMSA-N 389.473 3.302 0 1 GGAF CCOC(=O)/C(=C\N(C)C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568220 BADMFXCZMRRTHR-ZGFKFUMSSA-N 397.427 3.121 0 1 GGAF COc1cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1F 587037023 CYYJIMKWMPMEHO-VIFPVBQESA-N 387.440 3.458 0 1 GGAF COc1cc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ncn1 587776428 CKOLWIDVFRCJFU-BMLIUANNSA-N 380.261 3.379 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1c(C)nn(C)c1C)CC2=O 587474686 GPLNCNQDNMLZSZ-NRFANRHFSA-N 386.448 3.119 0 1 GGAF O[C@@H]1C[C@@H](c2nc3cc(I)cnc3[nH]2)c2ccccc21 586905093 YMHRCLUQWQKQSP-DGCLKSJQSA-N 377.185 3.132 0 1 GGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(OC)c(F)cc3[nH]2)c1 586930693 PEYVJXVHCNSXQO-UHFFFAOYSA-N 377.441 3.408 0 1 GGAF CC(C)Cc1cc(CN2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)n[nH]1 12447374 KHYXYTKICZSPBC-NRFANRHFSA-N 382.508 3.284 0 1 GGAF CSc1ccccc1OCc1cc(C(=O)N[C@H](C)CCn2cccn2)no1 12591192 KUVFLFQLKMGJNV-CQSZACIVSA-N 386.477 3.381 0 3 GGAF CCOC(=O)c1cccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c1 13677231 SDUUATZVIUROBN-UHFFFAOYSA-N 379.412 3.473 0 1 GGAF CC(C)Oc1cccnc1-n1ccnc1[S@@](=O)Cc1ccccc1N(C)C 13746089 NUPWBSFIUAOXLK-HHHXNRCGSA-N 384.505 3.428 0 1 GGAF C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 169300738 AGWNTSAXKRGTBH-AAMISZCHSA-N 378.472 3.307 0 1 GGAF C/C=C(/C)C(=O)O[C@@H]1c2cc3ccc(=O)oc3cc2OC(C)(C)[C@H]1OC(C)=O 59589115 KSKGUGPVFXWEJL-JZWAJAMXSA-N 386.400 3.446 0 1 GGAF biogenic,in-vitro CCc1ccc([C@H]2C[C@H]3CC[C@@H](N3)[C@@H]2C(=O)OC)cc1I 100949938 BSMPOYNWUIFFDN-RRCSTGOVSA-N 399.272 3.251 0 1 GGAF Nc1nc(N)c2c(OCC3CCN(Cc4cccc(F)c4F)CC3)cccc2n1 28971728 XXWSMCIXQOOIBX-UHFFFAOYSA-N 399.445 3.363 0 1 GGAF O=C(NCCc1ccccc1)[C@@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61907246 KXUWMZRFBUYYMH-NRFANRHFSA-N 388.423 3.140 0 3 GGAF COc1ccc(-c2nc(C(N)=O)c(CN(C)C)o2)c2ccc(C(F)(F)F)nc12 28950206 VDQGXENZTWONTA-UHFFFAOYSA-N 394.353 3.078 0 1 GGAF CCN(CC)C(=O)[C@H](C)[C@@H]1CCc2c(C)cc(OCCOC)c(C)c2[C@H]1O 2356319456 HQYADZTWSICTSK-YWMUFLPLSA-N 377.525 3.429 0 1 GGAF CC(C)[C@]1(O)CC[C@]2(CO1)[C@H]1CCC3=C4[C@@H](CC3)[C@H](C(=O)O)C[C@]42CN(C)C1 2356524466 FYMJJUNOXPGERO-ZNNMUCEXSA-N 389.536 3.281 0 1 GGAF COc1ccc([C@@]2(O)c3c(ccc(CC=C(C)C)c3O)NC(=O)[C@H]2OC)cc1 14638640 ZRZQXSGEIJXJEO-IFMALSPDSA-N 383.444 3.113 0 1 GGAF biogenic CC(=O)O[C@@H]1C[C@H](C)[C@](O)(CCC2=CCNC2=O)[C@]2(C)CCCC(C)(C)[C@@H]12 14883444 LTVWDGPECBUWSM-OSQUUTQOSA-N 377.525 3.358 0 1 GGAF biogenic CNC(=O)Nc1ccc(-c2nc(N3C[C@@H]4CC[C@H](C3)O4)c3sccc3n2)cc1 45392216 ITYGQBOCBCGBAV-GASCZTMLSA-N 395.488 3.477 0 1 GGAF CC(C)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCCCN(C)C 82082648 CLIGHCMBVIAAFB-MRXNPFEDSA-N 393.509 3.043 0 1 GGAF C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@@H]3N1[C@]3(O)[C@H]2[C@@H]1CC[C@@H]2CCC[C@@H]2N1 85547787 HODLMSIRHTYEFG-XFQCKIPPSA-N 378.516 3.081 0 1 GGAF biogenic,in-vitro CCCCOCCCNC(=O)CN(C)C(=O)c1coc(-c2ccc(C)cc2)n1 82073717 ULBRRWCUJFCJQM-UHFFFAOYSA-N 387.480 3.045 0 1 GGAF CN(C)C(C)(C)COC(=O)CNC(=O)c1csc(-c2ccc(Cl)cc2)n1 82084949 SJFVOIRNUVFYMB-UHFFFAOYSA-N 395.912 3.077 0 1 GGAF CC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 195339339 UOHQEFKIKABMNS-MCOMUUGNSA-N 382.516 3.019 0 1 GGAF O=C(NCc1ccco1)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 82081248 WTZGOASYUNJCQJ-ZDUSSCGKSA-N 385.445 3.165 0 1 GGAF CC(=O)NCCN[C@@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 40812599 LRTOUALKQIJUHI-RUZDIDTESA-N 399.494 3.269 0 1 GGAF O=C(O)[C@H]1CN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCO1 141308199 WGNYIJNJSDBPLE-BKULYWANSA-N 377.484 3.409 0 1 GGAF Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1CCc1ccc(O)cc1 95599430 TZBYLUZTPIASKJ-QFIPXVFZSA-N 391.475 3.065 0 3 GGAF CCOC(=O)/C(=C\N(C)C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587756928 SJQADENORQRAHX-PVCHJARQSA-N 385.277 3.172 0 1 GGAF COc1ccc2c(c1)NC(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587792060 KXPJRHIYTMHZJM-NIVTXAMTSA-N 391.240 3.327 0 1 GGAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587079871 LLFKCVIWNADIFS-ZDUSSCGKSA-N 390.852 3.187 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C)(Cn1cnc3ccccc3c1=O)CC2=O 587488603 QPSOGRBRVISHQX-JOCHJYFZSA-N 378.428 3.479 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Cl)c1)C(O)O 587548622 QBHVTEBGSJCOEC-UTKZUKDTSA-N 398.798 3.213 0 1 GGAF N[C@@H](Cc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(=O)O 587622369 ADTUTAJNTBLUDE-ZDUSSCGKSA-N 399.248 3.428 0 1 GGAF CCS(=O)(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 587217370 VMAREBWQRVFACW-GOSISDBHSA-N 385.489 3.085 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1ccc(Cl)cc1)O2 587408703 NTIXQWKUNNBRRD-SFHVURJKSA-N 379.865 3.136 0 1 GGAF CS(=O)(=O)/C=C\c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586927623 UTNSYTBVDRTRMU-IHWYPQMZSA-N 385.161 3.239 0 1 GGAF CC(=O)SCc1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O 587944523 BGCJHEDNBZDCJF-UHFFFAOYSA-N 375.425 3.361 0 1 GGAF COc1ccc([C@@]2(CO)c3ccsc3CCN2Cc2cccn2C)c(OC)c1 962396082 FEUNDYNVHCYEGG-QFIPXVFZSA-N 398.528 3.398 0 1 GGAF Cc1cc2c(cc1O)[C@]1(C[C@@H](C)[C@H](C)N(Cc3ccccc3)C1)N[C@H](C(=O)O)C2 963511667 UTRPAELIVGFWLM-GCMZMWIBSA-N 394.515 3.425 0 1 GGAF CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1O[C@@H]1CCCCO1 5858328 XMUNEJRPCVXODW-UXPWSPDFSA-N 388.416 3.480 0 1 GGAF COc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3ccccn3)CC2)cc1 12447941 XBGWGIXZVIPKKH-UHFFFAOYSA-N 391.475 3.376 0 3 GGAF O=C(NC1CC1)C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1 12482548 YMYRABYOWCTMON-KDOFPFPSSA-N 399.409 3.487 0 3 GGAF CNC(=O)c1cc2c(Oc3ccc(N4CCN(C)CC4)cc3)cncc2s1 13864412 COBAUFUDBBKSJO-UHFFFAOYSA-N 382.489 3.200 0 1 GGAF CC(=O)O[C@@H]1[C@@H](OC[C@@H](C)C(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 2356347351 GMHDTFBUYSRCCK-WWGWPZPMSA-N 388.416 3.179 0 1 GGAF C[C@H]1CC[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N2[C@@H]1c1ccc(Br)cc1 7992035 OPKHASDRVSLFHV-SRMUXQRQSA-N 377.282 3.122 0 1 GGAF C[S@](=O)C[C@H]1[C@H]2CC[C@@]3(CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]3C2)[C@@H]1O 28875674 RSTMEZAVUUMLEO-DALYSIRASA-N 382.566 3.449 0 1 GGAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(OC(C)=O)[C@@H]2CC=C(C)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@H]21 2356658239 LUDOQAPWTMIOHM-WQRURKKLSA-N 390.476 3.350 0 1 GGAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(C2CCC(C)CC2)C(=O)[C@@]31C 2109011 OIAXDNGPCRHESW-CKBDLISKSA-N 395.503 3.197 0 1 GGAF biogenic CN1CC(=O)N2[C@@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 15953604 HERFNNTYFIIIDQ-XLIONFOSSA-N 379.847 3.136 0 1 GGAF biogenic CC1(NC(=O)C[C@H](N)Cc2ccccc2F)CCN(Cc2ccccc2)CC1 40895979 NQDSLOSRTVONEH-HXUWFJFHSA-N 383.511 3.257 0 1 GGAF CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C/C3CCCCC3)C(=O)O2)cc1 40423188 UHXBXJPUNYNCPB-OFFMQOAPSA-N 387.476 3.094 0 1 GGAF Cc1cc2ncn(-c3nccc(N4CCN(Cc5ccncc5)CC4)n3)c2cc1C 84733771 CDXUBALAUXLKKV-UHFFFAOYSA-N 399.502 3.150 0 1 GGAF Nc1ncc(-c2cccc(CN3CCOCC3)c2)cc1-c1nnc(C2CC2)o1 142778469 CGJZHIRZCATSCO-UHFFFAOYSA-N 377.448 3.090 0 1 GGAF NC(=O)c1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140111343 CLFRGPRYKZCNHI-UHFFFAOYSA-N 381.439 3.395 0 1 GGAF O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cccc(F)c1 95796593 TWVMRGSVCHLTGK-FYYLOGMGSA-N 394.490 3.167 0 1 GGAF Cc1ccncc1-n1ncc2c(=O)[nH]c([C@H]3CC[C@@H]3c3nc(C)c(C)o3)nc21 145066911 AQKGPZWKZXMMNF-KBPBESRZSA-N 376.420 3.078 0 1 GGAF O[C@@H]1C[C@@H](OCc2ccc(F)cc2)CC[C@H]1N1CCN(c2ccccc2)CC1 473108572 NQRUEBLEXJSZRM-YTFSRNRJSA-N 384.495 3.447 0 1 GGAF CCCC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 299807860 ZQHVKFMMNIRWPN-KPEYNIOCSA-N 395.499 3.006 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(O)cc2)N1 587830912 FVJKXHRSBIFIDP-HUTHGQBESA-N 380.213 3.156 0 1 GGAF CC(C)(C)OC(=O)NC1(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)CCC(=O)CC1 587234677 TUSSRADCNSCNIE-UHFFFAOYSA-N 398.463 3.311 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(O)cc2)(C(=O)O)N1 587831836 IHMUEYUXJZUUAY-YPMLDQLKSA-N 394.240 3.351 0 1 GGAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(I)cnc2[nH]1 587058693 IKZTUCHQZLEACD-NSHDSACASA-N 398.635 3.458 0 1 GGAF CCS(=O)(=O)c1cccc(Cc2nc3c(Br)ccnc3[nH]2)c1 586921553 CFIAWBHXSBBPFC-UHFFFAOYSA-N 380.267 3.105 0 1 GGAF CCOC(=O)CC[C@@]1(c2ccccc2F)NCCc2ccc(C(=O)N(C)C)cc21 962927097 DSBIELGWRUCIRD-QHCPKHFHSA-N 398.478 3.260 0 1 GGAF CCOC(=O)C(=O)C[C@]1(CC(C)C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963639563 VPNHJZJJNFBWHM-QKKBWIMNSA-N 377.481 3.002 0 1 GGAF CC[C@H](C)n1nccc1[C@@H]1N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962624354 BXIZWEZRCSQPGT-JMPLFQLZSA-N 383.370 3.441 0 1 GGAF CCn1cc(C(=O)NC(=S)Nc2ccccc2C)c(-c2ccccc2)nc1=O 1772628897 GCIJLHYWQKYNSQ-UHFFFAOYSA-N 392.484 3.365 0 1 GGAF Cc1[nH]c2c(c1C)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5 13762976 YKAILWUVFPIRIV-IBURTVSXSA-N 392.499 3.036 0 1 GGAF Cc1ncc(-c2ccn(C)c(=O)c2)c(OC[C@@H]2C[C@H]2c2ccc(Cl)cn2)n1 209429084 YCVQFIHEJZVWBI-GOEBONIOSA-N 382.851 3.382 0 1 GGAF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(C)c(=O)n(C)c2)nc1 209435121 KHEZIXQOYRSLHR-MSOLQXFVSA-N 376.460 3.345 0 1 GGAF O=C(/C=C/c1ccc(O)cc1)NCCN=c1c2c([nH]c3ccccc13)CCCC2 1857753962 WUQYIVUPNJNGIT-SDNWHVSQSA-N 387.483 3.483 0 1 GGAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 768058 BWFNWTQSSQPUDX-UXLLHSPISA-N 378.881 3.380 0 1 GGAF COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 1137702 FWUWJAIPWDUCBA-GOFCXKROSA-N 388.423 3.259 0 1 GGAF COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4cccn4C)C3)C2)cc1 3956369 BSENUPYAKZLRTH-JOCHJYFZSA-N 396.491 3.194 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4153405 DTKSZSPICJDKHO-QRKMNUTDSA-N 398.459 3.190 0 1 GGAF COc1ccc([C@@H]2SC(=N)Nc3c2c(C)nn3C(=O)c2ccncc2)cc1 6483966 CAEXPSIRBPHCSI-INIZCTEOSA-N 379.445 3.466 0 1 GGAF C/N=c1\c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c(O)oc2ccccc12 102641837 KTGIQHXGGHQLAW-UZYVYHOESA-N 384.457 3.349 0 1 GGAF CCN(CC)C(=O)c1ccc([C@H](NCCN(C)C)c2cccc(OC)c2)cc1 22939520 UWWHXJUMGYMUHH-QFIPXVFZSA-N 383.536 3.418 0 1 GGAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2F)nc1 29038937 FYUHFGSRFJGAOA-UHFFFAOYSA-N 385.342 3.496 0 1 GGAF Cc1cc(O)cc(O)c1[C@@H]1c2ccc(O)cc2O[C@H](c2ccc(O)cc2)[C@@H]1O 2356540872 BOQHWAHDEDILLJ-BHDDXSALSA-N 380.396 3.444 0 1 GGAF Cc1nn(C)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O 220159438 LKHKHWRBQLPSBP-KRWDZBQOSA-N 382.851 3.139 0 1 GGAF C[C@@H]1CN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)C[C@@H](C)O1 95577273 GGCCHWPSILXJPI-VXGBXAGGSA-N 376.844 3.018 0 1 GGAF Cc1cnc(C(=O)Cc2ccc(F)c([C@@]3(C)N=C(N)SCC3(F)F)c2)cn1 96172065 FCKLGOZQQMVKCU-QGZVFWFLSA-N 394.422 3.262 0 1 GGAF Cc1cnn(-c2cccc(Nc3ncc(F)c(=NC[C@@H]4CCCN(C)C4)[nH]3)c2)c1 473136109 XHTFKFQFEADGGR-INIZCTEOSA-N 395.486 3.029 0 1 GGAF CN=c1[nH]c(SC)ncc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587848488 WQSVNQJDEOONMQ-XLKFXECMSA-N 397.317 3.187 0 1 GGAF CCOC(=O)[C@]1(c2ccc(OC)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515185 LNYHVQANACPFNE-JOCHJYFZSA-N 381.428 3.393 0 1 GGAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(F)c(Br)c2[nH]1 586949958 JHWWNACZCOGHHG-UHFFFAOYSA-N 398.257 3.427 0 1 GGAF Cc1c(NC(N)=O)cccc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587239320 JKAFJPFPHODKOC-UHFFFAOYSA-N 389.209 3.490 0 1 GGAF CCc1nn(C)c(OC)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581479 LIDDMUBMXVFAMX-PXNSSMCTSA-N 380.400 3.400 0 1 GGAF N=c1[nH]c(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cs1 587658192 KOGDPUZHXMRIQK-UHFFFAOYSA-N 398.394 3.094 0 1 GGAF COCCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351262 TUMUWDGKLQDPNV-CTNGQTDRSA-N 388.391 3.229 0 1 GGAF COc1cc(-c2nnc(S)n2-c2ccc(N(C)C)cc2)cc(OC)c1OC 1772600616 MTTMINOUTRKZIX-UHFFFAOYSA-N 386.477 3.315 0 1 GGAF COc1ccc(OC)c(CC(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)c1 12318736 YIYFQDXFCDMFFB-CQSZACIVSA-N 380.448 3.013 0 1 GGAF CNC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 13580926 YAVWDSSODXPSHQ-UHFFFAOYSA-N 380.452 3.415 0 1 GGAF CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3ccc(Cl)cc23)c1 165922774 PLVDPVQBUNFANZ-UHFFFAOYSA-N 391.884 3.001 0 1 GGAF O=C(Nc1sccc1C(=O)Nc1ncccn1)c1nc2cnccc2s1 1857611750 AJCHWWGZVVPQDY-UHFFFAOYSA-N 382.430 3.047 0 1 GGAF COc1nc(Nc2ccc(C(=O)N(C)C)cc2)ncc1-c1csc(C(=O)O)c1 1857758473 DQOKLLLQTINBSI-UHFFFAOYSA-N 398.444 3.357 0 1 GGAF CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1cc(OC)c(OC)cc14)[C@@H]32 2356343282 KYSSJRZIVJUXLG-RJGXRXQPSA-N 396.487 3.238 0 1 GGAF Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCc3ccco3)C2)s1 6806148 JSRQNOUGKFPONO-HNNXBMFYSA-N 385.493 3.071 0 1 GGAF COc1ccc(Nc2nc(N)nc(CSc3nc4ccccc4[nH]3)n2)cc1 103214845 BXBVJZLWFUMGBE-UHFFFAOYSA-N 379.449 3.375 0 1 GGAF CCCS(=O)(=O)Nc1ccc(F)c(CNc2ccc(NC(C)=O)nc2)c1F 113489012 VIBFRNXRUQYPPA-UHFFFAOYSA-N 398.435 3.082 0 1 GGAF CN1CCN(c2cccc([C@H]3COC(=O)N3c3ccc4nc[nH]c4c3)c2)CC1 116829087 QMAZKUBVZPELIU-HXUWFJFHSA-N 377.448 3.013 0 1 GGAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(CO)[C@H]3C[C@@H](O)[C@H]2[C@H](C)N(C)C)C1 2356534719 PEQAFOAATUJIMD-GQAQLMJJSA-N 390.612 3.047 0 1 GGAF O=C(NC1CCCCC1)[C@H](NC(=O)n1nnc2ccccc21)c1ccccc1 28103737 QAGRMALBUUFMKX-LJQANCHMSA-N 377.448 3.179 0 1 GGAF O=C1c2ccccc2[C@@]2(CC(O)=NC2=O)N1Cc1cccc(Br)c1 27523475 SUAUNENEUQLUGS-GOSISDBHSA-N 385.217 3.187 0 1 GGAF Cc1csc2c1c(CC(=O)O)c(C)n2Cc1ccc(S(C)(=O)=O)cc1 66078714 CKBACAVWGQAMFG-UHFFFAOYSA-N 377.487 3.399 0 1 GGAF CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12 72181498 PEAAKWGEQGHNHJ-UHFFFAOYSA-N 398.434 3.437 0 1 GGAF C[C@H]1CN(c2cc(-c3n[nH]c4ccc(-c5cncnc5)cc34)ncn2)C[C@@H](C)O1 225563643 TXPBLBKTLNNGAW-OKILXGFUSA-N 387.447 3.091 0 1 GGAF CC(C)(C)n1nc(-c2cnc3cc(OCC4CC4)ccc3c2)c(C(N)=O)c1N 221703995 LJDXURUFAXNINU-UHFFFAOYSA-N 379.464 3.323 0 1 GGAF CC(=O)NCCn1c(-c2ccccc2)nc2c(NCc3ccccc3)ncnc21 82178210 UWQLMFABYXPWIY-UHFFFAOYSA-N 386.459 3.242 0 1 GGAF CCOC(=O)C1=CN(Cc2ccccc2OC)C=C(C(=O)OCC)C1C1CC1 95593355 LIYJTQRQVNMCLA-UHFFFAOYSA-N 385.460 3.431 0 1 GGAF CCCN(C)c1ccnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 261176563 UZBCHNOZAIXBNW-OXJNMPFZSA-N 397.523 3.178 0 1 GGAF 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C=Cc1cc(OC2CCOCC2)cc([C@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 14953264 HHOFEOWBKYQOPC-FQEVSTJZSA-N 395.459 3.409 0 1 GGAF CC(C)[C@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(NC(=S)NCc3ccccc3)C(=O)[C@@H]12 169304308 AMYFASUDBOAVHW-YVCBRDFCSA-N 397.544 3.179 0 1 GGAF O=C(CN1CCC[C@@H](c2ccccc2)C1)N[C@H]1CCN(Cc2ccccc2)C1 1857587667 LJIUZOIBJFVUCF-PKTZIBPZSA-N 377.532 3.257 0 1 GGAF CNC(=O)Nc1c(OCCN2CCCCC2)c(OC)c2ccoc2c1OC 538042 VQAWOPDUDSWAPT-UHFFFAOYSA-N 377.441 3.066 0 1 GGAF in-man COCCCNC(=O)c1sc2ncnc(N3CCc4ccccc4C3)c2c1C 2931594 GZPQDJZOGQBBHB-UHFFFAOYSA-N 396.516 3.329 0 3 GGAF CC[C@H](C(=O)N[C@@H](C)CCc1ccco1)n1nc(C)n2c(cc3occc32)c1=O 4101705 LVPZABFKBVHVAB-XJKSGUPXSA-N 396.447 3.232 0 3 GGAF COCCn1c(=O)c(-c2cccs2)nc2cnc(Nc3ccccc3)nc21 4238483 NLSYFSSVAVJYMF-UHFFFAOYSA-N 379.445 3.305 0 1 GGAF COCOCc1c(O)cc(C)cc1Oc1c(C)c(C(=O)OC)c(O)c(C)c1O 2356419096 HIHMFZVTAJBXCV-UHFFFAOYSA-N 392.404 3.428 0 1 GGAF CN(Cc1ccc2ccccc2n1)C[C@H](O)COc1ccc(-n2ccnc2)cc1 26969656 YILSNDKQTMTZAC-NRFANRHFSA-N 388.471 3.292 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CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N1CCOCC1 4153762 HVBLLACKLHHCNV-CTNGQTDRSA-N 380.444 3.036 0 1 GGAF C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)C1 6866674 UJMDTQMKAMHBRC-QLFBSQMISA-N 376.522 3.041 0 3 GGAF CCC(=O)N1CCc2cc(CNC(=O)Nc3ccc(OC)cc3OC)ccc21 8611650 JVBPLIHVPSJHPX-UHFFFAOYSA-N 383.448 3.325 0 1 GGAF COc1c(OC)c(OC)c2c(=O)cc(-c3ccc(NC(C)=O)cc3)oc2c1OC 100828585 ANSLLNUXAXVTNN-UHFFFAOYSA-N 399.399 3.453 0 1 GGAF COc1cc(OC)cc([C@H]2C3=C(Nc4cc5c(cc42)OCO5)[C@@H](C)OC3=O)c1 101674456 SWBHLZQMOYJHKA-MLCYQJTMSA-N 381.384 3.189 0 1 GGAF COc1ccc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5o4)C[C@H]3C2)c(OC)c1 116822606 KJXRSQLGIYNXNQ-HUUCEWRRSA-N 393.443 3.053 0 1 GGAF CC(C)(C)NC(=O)[C@H](NC(=O)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1 26745176 SMQWVASILUKVIT-FIIODCPWSA-N 380.444 3.170 0 1 GGAF COc1ccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)cc1 64559003 QKMKOMRCKPTJNA-ZDUSSCGKSA-N 382.489 3.235 0 1 GGAF CC1(C)C=CCCC=CC(=O)O[C@H]2C[C@@H](CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 2356636431 IJDZHPBNOHSATK-NARAOEGZSA-N 395.521 3.303 0 1 GGAF O=C(CC1(n2cccc2)CCSCC1)NC[C@H]1CCCN2CCCC[C@H]12 2356762812 WEJIMMLFSRVGHE-RTBURBONSA-N 375.582 3.481 0 1 GGAF COc1cc2c(cc1OC)[C@@H]1O[C@H](OC)c3c(ccc4c3OCO4)[C@H]1N(C)CC2 33831437 STJFYCWYHROASW-URVUXULASA-N 399.443 3.378 0 1 GGAF endogenous,in-man CCn1cc(C(=O)NC)c(=O)c2cc(F)c3[nH]c(-c4ccc(C)cc4)nc3c21 40943269 POMBDWRUPMQCGK-UHFFFAOYSA-N 378.407 3.372 0 1 GGAF COc1cc2nc(N3CCC[C@H](CO)C3)nc(NCCC(C)C)c2cc1OC 82130371 KHRUDWLVVQBRDK-HNNXBMFYSA-N 388.512 3.314 0 1 GGAF CC1(C)Oc2ccc(-c3cncc(Cl)c3)cc2[C@]2(COC(N)=N2)C12COC2 149220139 SVHNMBSDZDNXOE-HXUWFJFHSA-N 385.851 3.130 0 1 GGAF Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccccn2)n1 39960766 UHROYYKZPVOYCZ-SXLOBPIMSA-N 389.503 3.408 0 1 GGAF biogenic CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(N2CCOCC2)nc1 587871810 DOYGXSIEVWEHQV-UHFFFAOYSA-N 396.422 3.008 0 1 GGAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(NC(C)=O)cc1)[C@@H](C2)C3=O 587433998 YWXCUXSQCXRUBG-HTAPYJJXSA-N 395.411 3.161 0 1 GGAF CNC(=O)COC1=C(C)CCC(Nc2ncc(F)c(Nc3cccc(O)c3)n2)=C1 1772651915 BWSUUGMJSQQBHA-UHFFFAOYSA-N 399.426 3.191 0 1 GGAF CC(C)(C)OC(=O)N1CCC(C[C@@H]2CC(c3ccncc3)=NO2)(C(=O)O)CC1 12726569 CQBVYFRFJBFQFT-HNNXBMFYSA-N 389.452 3.067 0 3 GGAF COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccs2)CC1 13526348 WGMYZADUDVJWCW-ZHACJKMWSA-N 399.560 3.489 0 1 GGAF COc1ccc(CCOc2ccc3c(=O)cc(N4CCOCC4)oc3c2)cc1 13677033 GWRGBNRVPQOEAV-UHFFFAOYSA-N 381.428 3.260 0 1 GGAF Cc1ccc(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)cc1CC(=O)N1CCOCC1 169304940 YXKKKXDMHWGXKH-APTRMMRNSA-N 398.547 3.341 0 1 GGAF O=C(Nc1ccc(C(=O)N2CC3(CCCCN3)C2)cc1)N1Cc2ccccc2C1 167333814 GRAJIPRPKIJXNH-UHFFFAOYSA-N 390.487 3.202 0 1 GGAF Cc1cn2c(cc(C)c3c(N)c(C(=O)N[C@H]4Cc5cccnc5C4)sc32)n1 1857602150 BAYRNIMPWMTFSK-ZDUSSCGKSA-N 377.473 3.040 0 1 GGAF Cc1csc([C@](C)(O)c2nnc(NC(=O)c3c(F)cccc3F)s2)n1 1857630939 KWAOUIWSWOMRRH-HNNXBMFYSA-N 382.417 3.089 0 1 GGAF O=C(Nc1cccc(OC[C@H]2CCCN2)n1)Nc1csc(-c2ccncc2)n1 3986666 KJAMWKJQNWQDRV-CQSZACIVSA-N 396.476 3.375 0 1 GGAF CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)c(C(=O)OCC)nc1O 1911575778 BMPIRFOXUCLQIC-UHFFFAOYSA-N 377.780 3.025 0 1 GGAF CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCOC)c1 4050088 MCFZVCBHVUSWAW-TZIWHRDSSA-N 382.460 3.330 0 1 GGAF COC(=O)[C@@](NC(=O)CC(C)C)(Nc1nc2c(s1)CCCC2)C(F)(F)F 8590607 ZSZUKAFVJIPBNX-OAHLLOKOSA-N 393.431 3.028 0 1 GGAF CC(C)Cn1c(O)cc(=O)nc1SCC(=O)Nc1ccc(Cl)cc1F 102881273 CRDXKIPOSJVALF-UHFFFAOYSA-N 385.848 3.128 0 3 GGAF CC(=O)N1N=C2/C(=C/c3ccccc3)CS(=O)(=O)C[C@@H]2[C@H]1c1ccccc1 29308828 BGAWLKHIMHPGRU-MATJUNDWSA-N 380.469 3.074 0 1 GGAF OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCCCCC4)cc(Cl)nc32)C[C@@H]1O 27325831 FQYKSUYXQAKFFJ-YQQAZPJKSA-N 394.903 3.250 0 1 GGAF O=C(c1ccc(F)cc1)[C@@](O)(Cn1cnnc1)c1ccc(Cl)cc1Cl 26008623 MTERYGHIOZDAJF-QGZVFWFLSA-N 380.206 3.495 0 1 GGAF CN(C(=O)[C@@H]1Cc2ccccc21)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 71333208 DMJXZFVIVSQBHX-OXQOHEQNSA-N 388.467 3.382 0 1 GGAF COc1ccc(-c2oc3c(OC)c(O)cc(OC)c3c(=O)c2OC)cc1OC 14437082 MFWYANDKRWHUAV-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic O=C(O)C[C@@H](NC(=O)c1cccc(Br)n1)c1ccccc1Cl 223482243 QWNDNEJICOPFAQ-GFCCVEGCSA-N 383.629 3.443 0 1 GGAF COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1 40954466 LYXSWTNSYIVEPY-UHFFFAOYSA-N 396.535 3.089 0 1 GGAF in-vitro CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cc[nH]n3)c2c1 45290267 RXGYMTMITMREME-UHFFFAOYSA-N 399.407 3.431 0 1 GGAF COc1ccc(CNC(=O)[C@H]2CNC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 45372724 FQODPQFAJWPCDY-ROUUACIJSA-N 378.394 3.333 0 1 GGAF COc1cc2nc(N3CCC(O)CC3)nc(NC3CCCCC3)c2cc1OC 82119653 QZQNWYNYLXKTHH-UHFFFAOYSA-N 386.496 3.353 0 1 GGAF CC(C)c1nc2nc(N3CCC(O)(Cc4ccccc4)CC3)ccc2[nH]c1=O 82231395 FLBLRSCKCZDWTG-UHFFFAOYSA-N 378.476 3.016 0 1 GGAF CC(=O)O[C@@H]1CC=C2C(=O)OC[C@]23C[C@H](O)[C@H](C)[C@@](C)(CCc2ccoc2)[C@H]13 523041581 LDHZCXPOCUYEEH-ROGCQPHFSA-N 388.460 3.040 0 1 GGAF biogenic O=C(O)CCC/C=C\C[C@@H]1[C@H](/C=C/[C@H](O)C2CCCCC2)[C@H]2O[C@H]1[C@@H]1O[C@H]12 253694655 BLPTUHHFIMEDBU-PZJGGVJPSA-N 376.493 3.466 0 1 GGAF O=C1[C@@H]([C@@H](O)c2ccc(O)cc2)[C@H](c2ccc(O)cc2)N1c1ccc(O)cc1 299827976 PPERDSQDOUJFTE-HKBOAZHASA-N 377.396 3.241 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(C)CC4)c(F)c1)[C@@H](C2)C3=O 587428193 XTWZHJVWJGZGSS-AOMKIAJQSA-N 382.435 3.075 0 1 GGAF COc1cc2c3c(c1)O[C@](CCN(C)C)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O 587427744 UQINXLZPLCQHDU-KSFYIVLOSA-N 385.435 3.438 0 1 GGAF O=C(NCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)OCc1ccccc1 587228771 XZRNNDJTMNXGPI-UHFFFAOYSA-N 379.395 3.357 0 1 GGAF Cc1c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)nnn1Cc1ccc(Cl)cc1 587074732 WNPUEMGTCBEXBY-UHFFFAOYSA-N 394.822 3.162 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(N)=O)cc2)N1 587751906 ZYXKMAWWXOHENW-YPMLDQLKSA-N 393.256 3.076 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Oc3cc(O)ccc32)N1 587843602 SVVLYQDVIJZBGS-DYBLOJMWSA-N 392.224 3.381 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C)O2 587387612 QOZQXKFGICFKPE-KUUHDYPXSA-N 390.480 3.231 0 1 GGAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587174163 FPAHDYHCZCUUHU-SFHVURJKSA-N 393.466 3.258 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1nccc1C 587869343 GSDDSSFAWPCSPN-NSHDSACASA-N 379.342 3.379 0 1 GGAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(-c3ccn(C)n3)c12 1772578387 KVVXCRQJWBWDPJ-GFCCVEGCSA-N 391.435 3.250 0 1 GGAF COc1cc(-c2cnc3c(N4C[C@H](C)O[C@H](C)C4)snc3c2)ccc1C(N)=O 1911584717 LFLWOVMLTGNLHO-TXEJJXNPSA-N 398.488 3.079 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@H]([C@@H](O)c1cc[n+](Cc3ccccc3)cc1)C2 26575883 SQTQNYMNESABEP-REWPJTCUSA-N 390.459 3.128 0 1 GGAF Cc1ccc(N2CCc3ncnc(N[C@@H](CCO)c4ccccc4)c3C2)nc1 114995154 DMPAJVSIPCPEOU-IBGZPJMESA-N 375.476 3.278 0 1 GGAF O=C(c1cccs1)N1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccccc1 61923072 YRXBMYFKYAGSLI-GUDVDZBRSA-N 394.500 3.406 0 3 GGAF Brc1cc([C@H]2C[C@H]3CC[C@@H]2N3)cnc1I 27546550 WAVPLZVAIHIFRR-MRTMQBJTSA-N 379.039 3.057 0 1 GGAF Cc1ccc2nc(CO[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]3F)[nH]c2c1 2356299800 OKAYUIMFDPTAFC-YWZLYKJASA-N 383.423 3.339 0 1 GGAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]3O[C@@H]([C@@H]21)[C@@](C)(O)CCCC[C@]3(C)O 2356850608 PRMSBBJFDDZXRS-QZTVYQBZSA-N 382.541 3.450 0 1 GGAF CCC1=C(CC(=O)OC)[C@](OC)(c2nccc3c2[nH]c2ccccc23)OC1=O 2356857362 SHQQHQZXMPJGOJ-OAQYLSRUSA-N 380.400 3.342 0 1 GGAF CC(=O)c1ccc2c(c1)N(C(=O)CN1C(=O)CCC1=O)c1ccccc1S2 45288282 POIFVAZSGASQIK-UHFFFAOYSA-N 380.425 3.168 0 1 GGAF O=C1Cn2nnc(-c3ccccc3)c2[C@H]2c3cc(Br)ccc3CCN12 199736346 IWTJCWKJWKPYBQ-GOSISDBHSA-N 395.260 3.195 0 3 GGAF O=C(C1CC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl 95894343 AMFAFERRWVUJGK-HKBOAZHASA-N 382.891 3.426 0 1 GGAF CCc1ccc(Oc2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2F)c(O)c1 95577576 USKHQAPKGBXZOL-OAHLLOKOSA-N 388.395 3.347 0 1 GGAF COc1ccc(NCCNCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 96928005 ULWRWEHYAFIQCQ-UHFFFAOYSA-N 389.455 3.146 0 1 GGAF O=C(Nc1noc2ccccc12)N1CCN(c2nc(-c3ccccc3)no2)CC1 95584056 MXWFJJNAIUCOCF-UHFFFAOYSA-N 390.403 3.232 0 1 GGAF NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc[nH]1 473165318 XORLIUJENOPWKH-UHFFFAOYSA-N 377.429 3.141 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(CO)cc3[nH]2)cc1 587041554 XMIKPVIMTUQITB-SFHVURJKSA-N 383.473 3.342 0 1 GGAF c1cncc(-c2noc(SCc3nc4cc5c(cc4[nH]3)OCCCO5)n2)c1 586966668 IWSUDIQJBPOFRW-UHFFFAOYSA-N 381.417 3.462 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2C(=O)O)N1 587772753 WDMZFUGHNPDHLZ-HUTHGQBESA-N 379.229 3.479 0 1 GGAF Oc1nc(O)c2cc3c(nc2n1)-c1[nH]c2ccc(Br)cc2c1CC3 587366477 NVOFOKTWJOYMRO-UHFFFAOYSA-N 383.205 3.445 0 1 GGAF O=C1CCc2cc3nc([C@@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3cc2N1 587149171 MIBYBRHFEUGILA-CYBMUJFWSA-N 396.397 3.242 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](O)c3cccc(N)c32)N1 587748775 YKDLSNKFMMBACK-COJQNKITSA-N 377.257 3.385 0 1 GGAF COc1cccc([C@@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)c1N 962664878 KUQVLATYYCKHLP-PKTZIBPZSA-N 391.471 3.188 0 1 GGAF Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)n1 1772622818 ZERBYEGVAVBBON-OAHLLOKOSA-N 392.507 3.441 0 1 GGAF Cc1noc(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=N)[C@@](C)(F)CC3(F)F)c2)n1 1772610005 SUTNBTCNHDOKDD-JKSUJKDBSA-N 399.348 3.319 0 1 GGAF CC[C@H](O)C1CCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)CC1 11937547 ZSUJPGVJLWGAQR-NRFANRHFSA-N 395.459 3.425 0 3 GGAF COc1ccc(C(=O)[C@H]2CCCN(Cc3ccc4nonc4c3)C2)c(OC)c1 13595019 GGJZUQYTVMQGQC-HNNXBMFYSA-N 381.432 3.335 0 3 GGAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1ccc(-n2ccnc2)cc1 169714465 HRFSLUYZQLQNAH-UYAOXDASSA-N 395.459 3.447 0 1 GGAF O=C(O)C[C@H]1COc2cc(OCc3cn(-c4ccccc4Cl)nn3)ccc21 1857605978 FCYRSZKUIWIKAF-LBPRGKRZSA-N 385.807 3.450 0 1 GGAF CCc1ccc([C@H]2C[C@@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1I 3960890 BSMPOYNWUIFFDN-XNISGKROSA-N 399.272 3.251 0 1 GGAF COc1ccc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1OC 4938569 BYPNEZMKWKOBHU-UHFFFAOYSA-N 391.427 3.300 0 3 GGAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@@H]2C)OCO4)c1 105522874 ZQNFTINNMOXUHL-KHIBUBOWSA-N 383.444 3.243 0 1 GGAF CC(=O)Nc1ccc2c(c1)C[C@H]1CC[C@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1 101010542 RNRCQICMAYSEFP-LZJOCLMNSA-N 384.501 3.117 0 1 GGAF COC(=O)CC[C@H]1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O 103283044 MZMBGTKDNDGXBQ-JTQLQIEISA-N 376.206 3.254 0 1 GGAF COc1ccc(Nc2nccc(Nc3c(N[C@H](C)C(C)(C)C)c(=O)c3=O)n2)cc1 101595932 JFKLAOWZZRXMHI-GFCCVEGCSA-N 395.463 3.415 0 1 GGAF c1ccc(CN2C[C@@H]3CN(NCC4CC4)C[C@@H](C2)C32SCCS2)cc1 102082007 SKKSVFRCAAISBQ-RTBURBONSA-N 375.607 3.141 0 1 GGAF NCCCCCCCCCCCCNc1ccn([C@H]2CC[C@H](CO)O2)c(=O)n1 29559644 NIVSTOPDMRKWBH-UYAOXDASSA-N 394.560 3.185 0 1 GGAF CCOC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CC2)CC1=O 28098143 OMQFDHLDCXPTBM-LOCCHRAXSA-N 397.515 3.132 0 1 GGAF CC[C@]1(C)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 26489135 DZHKGYPDWJRPGC-PZJWPPBQSA-N 382.416 3.258 0 1 GGAF COC[C@@H]1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@@H]3O 2356520963 GDGOVQAHSVMHTH-LUSCWYDSSA-N 392.536 3.375 0 1 GGAF C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1C(=O)C1(c2ccccc2)CC1 61908133 BXJTXDIXVKDMGV-JOCHJYFZSA-N 392.455 3.119 0 3 GGAF COc1cc(OC)cc(-c2cc3cnc(NC(=O)C(F)(F)F)cc3nc2N)c1 21289478 PUAOWHQXLKSRPD-UHFFFAOYSA-N 392.337 3.397 0 1 GGAF CCOC(=O)c1ccc2c(c1Oc1c(OC)ccc3c1C(=O)N(C)CC3)OCO2 2356782726 KCYIASDVSUTOGA-UHFFFAOYSA-N 399.399 3.021 0 1 GGAF COc1ccc(C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(C=O)c1OC 14612479 VPUFDLFEKYXGRQ-MRXNPFEDSA-N 399.443 3.025 0 1 GGAF biogenic CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@H](C)N)nn1 70463208 WGSIQZBFMOSLES-ZANVPECISA-N 388.365 3.234 0 1 GGAF O[C@@H](CSc1nnnn1-c1ccccc1)Cn1c2c(c3ccccc31)CCC2 84709700 DMKCFWWFPNGPKX-MRXNPFEDSA-N 391.500 3.259 0 1 GGAF Cc1cccc(C)c1NC(=O)CN1CCCN(Cc2nc3ccccc3[nH]2)CC1 49089017 PDGKXQYCWYRWOA-UHFFFAOYSA-N 391.519 3.326 0 1 GGAF COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)c(OC)c1 221950320 BDKMLANGBBFURD-SFHVURJKSA-N 396.226 3.423 0 1 GGAF CO[C@@H]1CCCN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)C1 95577719 VPCAKWANAGEVCY-OAHLLOKOSA-N 376.844 3.020 0 1 GGAF CC(=O)OC[C@@]1(O)OC[C@@]23CC[C@@H]4[C@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@H]2CC[C@@H]13 253634433 NMXQNNZLXKLLEI-LZYQXXIISA-N 390.520 3.188 0 1 GGAF CCNC(=O)c1c(C)sc2nc(Cc3cccc(C(F)(F)F)c3)cc(=O)n12 653853933 GYJOUHWOHJBKBT-UHFFFAOYSA-N 395.406 3.424 0 1 GGAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](N)C(C)(C)C)[nH]c3c2)cc1 587258425 BNGCIQOWVQXGKY-QGZVFWFLSA-N 388.493 3.418 0 1 GGAF O=Cc1ccc(OCCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587566712 XSGAWUUTLUJDTE-UHFFFAOYSA-N 389.415 3.056 0 1 GGAF COC[C@@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345214 YVNDUJXPBLYXPC-FPOVZHCZSA-N 382.391 3.166 0 1 GGAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cncnc3[nH]2)C[C@@H]2CCCC[C@H]21 586960739 NZKSTHCDPVGIJT-XKQJLSEDSA-N 383.477 3.047 0 1 GGAF CCOC(=O)Cn1c(C)cc2c1CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587392213 XKFCVMPODKSUJJ-JOCHJYFZSA-N 382.460 3.447 0 1 GGAF CC[C@@]1(C(F)(F)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550665 VVKFEGFWOSWOQQ-RDTXWAMCSA-N 378.327 3.311 0 1 GGAF CC(C)(C)OC(=O)N(Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)C[C@H]1CCCO1 587197151 KHKYAIYBLWQDSP-CXAGYDPISA-N 389.456 3.203 0 1 GGAF COC(=O)c1cccc2nc(-c3cncc(I)c3)[nH]c12 587184095 DKRFGAZEDGONGD-UHFFFAOYSA-N 379.157 3.016 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@@H]1[C@H]3C[C@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@H]3[C@H]12 587603543 NFYLWRKQZDBMMC-PDCODFOYSA-N 386.403 3.049 0 1 GGAF CCOC(=O)c1coc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587775635 SOIYRXJYNGXSGD-RTHLEPHNSA-N 383.217 3.377 0 1 GGAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587926985 MUWNXTQLIOMIEC-CYBMUJFWSA-N 376.434 3.369 0 1 GGAF C[C@]1(c2cccc3c2OCO3)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962694466 HHEMUETWQSQYPZ-RDTXWAMCSA-N 397.324 3.436 0 1 GGAF O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3ccc4nsnc4c3)N3CCC[C@@]123 11937992 LSUIUPJIUWTGGE-LRQRDZAKSA-N 391.500 3.024 0 3 GGAF COC[C@@H]1CCCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1 12315156 KJMXYQMHMJROBS-OAHLLOKOSA-N 381.432 3.300 0 3 GGAF COC(=O)C[C@@H](CCCCc1ccc(NC(=N)N)cc1)c1cccc(C(=N)N)c1 13776606 FKTIPOLHKSMAHY-QGZVFWFLSA-N 395.507 3.336 0 1 GGAF COC(=O)c1ccc2c(-c3cc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c2c1 14949229 WSNMWYMIZKBEKA-UHFFFAOYSA-N 390.443 3.330 0 1 GGAF Cc1nc([C@@](C)(NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)C2CC2)no1 207739501 HMZTUFCELKFTQF-NRFANRHFSA-N 382.464 3.494 0 1 GGAF Cc1c(C(=O)N[C@@H](C)c2ccccc2)sc2ncnc(N3CCOCC3)c12 2911660 PAGHZMWVIBSHIF-AWEZNQCLSA-N 382.489 3.327 0 1 GGAF CCc1nn(CCCC(=O)N[C@H]2CCCC[C@@H]2C)c(=O)c2cc3occc3n12 6807440 VHAUTMGKMHFRAW-GJZGRUSLSA-N 384.480 3.280 0 3 GGAF COC(=O)[C@@H]1[C@@H](c2cccc(I)c2)C[C@@H]2CC[C@@H]1N2C 100739572 XUBVUMLIQBPHGD-LJISPDSOSA-N 385.245 3.031 0 1 GGAF O=C(Nc1cccc(C(F)(F)F)c1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 8588807 DYJIRTNBTLUMCK-UHFFFAOYSA-N 387.383 3.070 0 1 GGAF CCCc1c(COCCOc2ccc(-c3nnn[nH]3)cc2)ccc(C(C)=O)c1O 28011354 UQGYTEBOIUAFCU-UHFFFAOYSA-N 396.447 3.323 0 1 GGAF CCNCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1 27628866 DPANAKKCKYNGAY-UHFFFAOYSA-N 389.975 3.307 0 1 GGAF O=C1C[C@H](c2ccccc2Cl)C(=O)N1CN1CCN(C2CCCCC2)CC1 103155722 YOOGAVVUCLDXFF-GOSISDBHSA-N 389.927 3.090 0 1 GGAF CCC(CC)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OCCO)CN(C)[C@@H]1C2 29485828 ZKBHIGHGJUAMPK-OZOXKJRCSA-N 384.520 3.498 0 1 GGAF COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 61905216 PCDFXQRZYCGJQR-QHCPKHFHSA-N 380.488 3.359 0 3 GGAF O=C(N[C@@H]1COCC[C@H]1N1C[C@H]2C[C@H]2C1)c1ccc(C(F)(F)F)cc1C1CC1 118607191 KURXHPNQIBDMPJ-GTYSZEQSSA-N 394.437 3.422 0 1 GGAF O=C1[C@@H]2CS[C@]3(C(=O)Nc4ccccc43)N2C(=O)N1Cc1ccc(Cl)cc1 66263726 POVQHLNFAUGINO-HNAYVOBHSA-N 399.859 3.025 0 1 GGAF C[C@H](C(N)=O)c1ccccc1CCc1nc(Nc2ccnnc2)ncc1Cl 211023286 JGVFAQMWQRTRLJ-LBPRGKRZSA-N 382.855 3.038 0 1 GGAF Cc1noc(C)c1-c1ccc2c(c1)[C@](C1CCCC1)(N1CCNCC1)C(=O)N2 219378614 PLIKZWHBDHTMNX-QFIPXVFZSA-N 380.492 3.201 0 1 GGAF COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3c2ccc(OC)c3OC)c1 40901201 VRBBZIAKJJCVDP-KRWDZBQOSA-N 383.400 3.089 0 1 GGAF C[C@@H](NC(=O)/C=C/c1ccc(O)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 40951725 NQDVSFMRGWMBTO-CNELAYHGSA-N 394.456 3.067 0 1 GGAF O=C(N[C@@H](COCc1ccccc1)C(=O)O)c1csc(Nc2ccccc2)n1 82085976 FGTQKMROELGBGX-INIZCTEOSA-N 397.456 3.287 0 1 GGAF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C)c2C)nc1 222636000 ZCTJFQPAHUZWIA-AEFFLSMTSA-N 376.460 3.345 0 1 GGAF COc1cccc(OC)c1NC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 44889095 LBICYTNHLWRFLR-UHFFFAOYSA-N 395.444 3.254 0 1 GGAF CCOc1nc(C)nn1-c1cc([C@@H]2C[C@H]2c2nc3ccccc3n2C)nc(C)n1 224359603 FQSQNZUHJBCGBF-HUUCEWRRSA-N 389.463 3.231 0 1 GGAF CN(C)[C@H]1CCN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 144753481 VWZHWGNVDBOXOC-XOBRGWDASA-N 390.405 3.241 0 1 GGAF O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccccc2N1 149507814 CLTAQMJYOUARDB-HSZRJFAPSA-N 392.547 3.132 0 1 GGAF C[C@@H]1CCCCN1S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 95592600 VGFCMULUCZSZNU-CQSZACIVSA-N 384.457 3.050 0 1 GGAF Cc1ncccc1N1CCc2c(OC3CCN(C(=O)OC(C)C)CC3)ncnc21 95578693 UTACZNPUGSYRHK-UHFFFAOYSA-N 397.479 3.262 0 1 GGAF CS(=O)(=O)Nc1cccc(-c2ccc3c(c2)SC(=N)N2CCCN=C32)c1 95576170 MMBIACGXRZXCGW-UHFFFAOYSA-N 386.502 3.218 0 1 GGAF CN(C)C(=O)CNc1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1 299870975 XINJAGCZDYYYMG-UHFFFAOYSA-N 396.426 3.309 0 1 GGAF Oc1ccc(OC2CCN(c3nc4ccncc4nc3NC3CC3)CC2)c(F)c1 653668782 RVESGJDEBVFBIO-UHFFFAOYSA-N 395.438 3.492 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)NCCCc1ccccc1)[C@@H](C2)C3=O 587429578 PXRVYVNVQITMNZ-MBSDFSHPSA-N 379.456 3.340 0 1 GGAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586974945 YVPPIRAHLJFKII-ROUUACIJSA-N 383.477 3.397 0 1 GGAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(CO)ccc2[nH]1 587181123 NCEPCKBMRMLSFD-VIFPVBQESA-N 396.232 3.494 0 1 GGAF CCOc1cc2oc(=O)c(-c3nc4ncc[nH]c-4n3)cc2cc1Br 586999906 KGLRUFHXNBFQII-UHFFFAOYSA-N 387.193 3.239 0 1 GGAF N[C@@]1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C[C@@H]1c1ccccc1F 587153850 ASVINQDXGSGMFO-SZNDQCEHSA-N 390.422 3.103 0 1 GGAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)([C@H](C)Oc1cccnc1)[C@@H](C2)C3=O 587428540 JQCSROSLGNMNED-GOJPWBFESA-N 380.444 3.119 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnn1-c1ncccn1 587578486 AGMHCFIKNKDFGQ-YLJYHZDGSA-N 386.367 3.071 0 1 GGAF CCOC(=O)[C@@H]1CSC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587616518 DGPAZRPHHZLNFE-OWZDWXTDSA-N 386.425 3.019 0 1 GGAF COC(=O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1OC 586996280 CYLVHBOMKVMQKQ-CQSZACIVSA-N 391.221 3.202 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)nc2)N1 587849484 MQLKHZYSDDMLFQ-JDNHERCYSA-N 399.285 3.010 0 1 GGAF C[C@@H](C(=O)O)n1cc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c2ccccc21 962927268 PQJCYGBDYLNVMN-QKKBWIMNSA-N 391.471 3.224 0 1 GGAF O=C(N[C@@H]1CCCN(Cc2ccccc2F)C1)c1cccc(N2CCCC2=O)c1 12303335 ABMUJEAKUAKCDN-LJQANCHMSA-N 395.478 3.347 0 3 GGAF O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1ccccc1)c1ccc(CCCF)cc1 13602950 HDCVIADZSOEXDV-UPVQGACJSA-N 397.490 3.462 0 1 GGAF CN1C(=O)[C@@]2(N=C1N)c1cc(Cl)ccc1CC21CCc2ccccc2CC1 201259663 ZXQLQOIFMKHKSG-QFIPXVFZSA-N 379.891 3.444 0 1 GGAF NC(=O)CNC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1 1857577389 VXBWMBLQFJLDRK-UHFFFAOYSA-N 389.455 3.267 0 1 GGAF CCNc1ncc2nc(-c3cccs3)c(=O)n(-c3ccc(OC)cc3)c2n1 4238206 RKQQJQHHURTOTK-UHFFFAOYSA-N 379.445 3.345 0 1 GGAF Cc1ccc(CCNC(=O)CCN2N=C(c3ccc(C)cc3)CCC2=O)cc1 8583461 POAIMLIYXBCAKA-UHFFFAOYSA-N 377.488 3.379 0 1 GGAF O=C1[C@H]2C[C@@H](CN2Cc2ccc3c(c2)OCO3)Oc2ccccc2N1CC1CC1 2356299300 FDPNHDLZLHHJOQ-PKOBYXMFSA-N 392.455 3.194 0 1 GGAF COC[C@H](C)NCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1 72114969 CPUILTROZYBBPL-KRWDZBQOSA-N 388.533 3.263 0 1 GGAF Cn1nnnc1NC(=O)N1CCC2(CC1)CC(c1cccc(C(F)(F)F)c1)C2 72317482 GEGOZXZTEQGHGA-UHFFFAOYSA-N 394.401 3.421 0 1 GGAF O=C(Nc1ccccc1Cl)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 84713577 TWKNCTJLUAFJMA-INIZCTEOSA-N 376.932 3.364 0 1 GGAF Cn1cc(-c2ccc3[nH]nc(-c4cc(N5CCC(F)(F)C5)ncn4)c3c2)cn1 225564685 SGEHWCFRIGXRTH-UHFFFAOYSA-N 381.390 3.266 0 1 GGAF CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(Oc2nc3ncccc3s2)cc1 43208459 MYVQRDNUBADNBB-HOTGVXAUSA-N 380.473 3.289 0 1 GGAF CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]23[C@H](O)O[C@@H]2OC(=O)[C@H]1[C@@H]23 149649178 ADKDEFXBDGXIFR-WWNMMRLUSA-N 392.492 3.015 0 1 GGAF C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)OCC1(F)F 95605635 FQQAQHRJTBVECP-MRXNPFEDSA-N 398.772 3.322 0 1 GGAF O=C(NCCN1CCC(n2c(O)nc3ccccc32)CC1)c1cccc(Cl)c1 95565982 TVQVSHGKICOQLD-UHFFFAOYSA-N 398.894 3.462 0 3 GGAF COc1nccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 586961146 SBUKDNDHWSGHHC-QHCPKHFHSA-N 394.294 3.469 0 1 GGAF O=C(O)c1cc(F)cc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587006292 DBNHJIHFMJGZEF-UHFFFAOYSA-N 375.157 3.477 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)Sc3ncccn3)[nH]c2c1 586963113 DLJWHVHCLJRZAN-GFCCVEGCSA-N 391.522 3.237 0 1 GGAF Cc1cc(Cl)ccc1OCCCc1nc2cccc(S(N)(=O)=O)c2[nH]1 587067145 VLZNKVWQMWSZKW-UHFFFAOYSA-N 379.869 3.184 0 1 GGAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587202396 DLSUNSYQSBCYDB-GFCCVEGCSA-N 388.415 3.254 0 1 GGAF COC(=O)[C@@H]1CC[C@]2(C1)N[C@@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963200045 WZFPYBJYMANKSK-ZYSBLVPFSA-N 391.773 3.126 0 1 GGAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@]21C=Cn2ccnc2C1 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66076957 ONUDDZXAHJVQJM-UHFFFAOYSA-N 380.469 3.278 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]2(O)C(=O)CO)C1 2356501440 AMWUVEPYCFALOA-MBJIHUMHSA-N 392.536 3.253 0 1 GGAF CC[C@@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4C=CN(C2=O)[C@@H]13 2356515179 DJLOEMJGBZHPMQ-HYUWLDNFSA-N 380.444 3.219 0 1 GGAF Cc1c(S(=O)(=O)Nc2cccc(-c3nnn[nH]3)c2)sc2ccc(F)cc12 114604899 FVGLWSPCUSNJOM-UHFFFAOYSA-N 389.437 3.330 0 1 GGAF C/C(=C\COc1c(CCC(=O)O)c(O)cc2occc12)CC[C@H](O)C(C)(C)O 73315539 KSDLXGLGEFBZCB-RORWEDLISA-N 392.448 3.393 0 1 GGAF COC(=O)c1c(C(=O)OC)c2c3ccccc3cc(C3CC3)n2c1C(=O)OC 36381617 LXXRAYMLRQFUGY-UHFFFAOYSA-N 381.384 3.330 0 1 GGAF CCN1CCN(c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1 49110389 XLSSARDYBBWOGO-UHFFFAOYSA-N 385.471 3.079 0 1 GGAF CCP(=O)(CC)c1cc(N2CCOC[C@H]2C)nc2c(-c3cc[nH]n3)nccc12 1911570608 HNWSYLDEOJLWRQ-CQSZACIVSA-N 399.435 3.273 0 1 GGAF CC(C)(O)c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1 49046037 KYBJEPGFZBUXMW-UHFFFAOYSA-N 395.488 3.299 0 1 GGAF Cc1nnsc1C(=O)N/C(C(=O)N1CCCCC1)=C(\Cl)c1ccccc1 49053868 CVKOVQNFLZFCRS-PFONDFGASA-N 390.896 3.196 0 1 GGAF O=C1CN=C(n2cnc(C(F)(F)F)c2)C=C2c3cccc(C4CC4)c3CCN12 149080628 VPNOHUFNVRVZRD-UHFFFAOYSA-N 386.377 3.465 0 1 GGAF N[C@@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@@H]1Cc1ccccc1 142543118 JYTFEYCQTQEXGG-FCHUYYIVSA-N 384.545 3.258 0 1 GGAF CCCCOC(=O)c1c(N)cccc1/C=C\[C@@H](O)[C@@H](C)OC(=O)c1ccco1 238788678 OQSXRPBCVKZSHQ-JGYUQMGLSA-N 387.432 3.438 0 1 GGAF COC[C@H](C)NC(=O)c1nccnc1Oc1ccc(Nc2ccccn2)cc1 147569781 QPUMYEPHCVMCRU-AWEZNQCLSA-N 379.420 3.172 0 1 GGAF O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3ccccc3Cl)cc2)C1 95552672 LWZYGSMEBIYHQE-CQSZACIVSA-N 379.865 3.492 0 1 GGAF COc1ccc(NC(=O)[C@@H](C)Nc2nc(O)c3cnn(C4CCCC4)c3n2)cc1 263621080 UBBCZBKJYNXHGT-GFCCVEGCSA-N 396.451 3.095 0 1 GGAF in-vitro CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 299885358 VJOFKDRWNYBCIW-HLAWJBBLSA-N 385.508 3.438 0 1 GGAF COc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccn2)c1OC 299821150 WDGKRJOWJWPMDB-BCDXTJNWSA-N 381.476 3.024 0 1 GGAF O=C(O)COCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587562947 JWSRSVXGGHPAST-UHFFFAOYSA-N 393.321 3.435 0 1 GGAF COc1ccc(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587386842 LYOAAATVPBBYHB-NRFANRHFSA-N 384.432 3.347 0 1 GGAF COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n2c(C=O)cccc12 587393749 LGHRWNGITOLVQC-LJQANCHMSA-N 378.384 3.136 0 1 GGAF CCOC(=O)CNc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1 587227776 WTICGAIGSRFYIV-UHFFFAOYSA-N 375.226 3.362 0 1 GGAF COc1cc(Cl)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC(=O)O 587375878 AIKKPRMTUVOXNL-HNNXBMFYSA-N 391.807 3.409 0 1 GGAF COc1cc2c3c(c1)O[C@](CCn1cncn1)(c1ccc(C)cc1)[C@@H](C2)C3=O 587430810 HFTRPUHAUZZYMS-PGRDOPGGSA-N 375.428 3.328 0 1 GGAF N=c1nc(N(Cc2ccccn2)Cc2ccccn2)cc(-c2ccc(O)cc2)[nH]1 584904742 LXSAXBJSZAHFFN-UHFFFAOYSA-N 384.443 3.259 0 1 GGAF in-vitro O=C1C[C@@H]2C[C@]3(C[C@H]2CN1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 587349745 QNJKYQGFPKQTTK-PHKAQXKASA-N 381.403 3.175 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(F)c(Br)cc21 587384801 PEEJVSAMSNZZEM-QGZVFWFLSA-N 391.196 3.292 0 1 GGAF N[C@]1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C[C@@H]1c1ccccc1F 587153912 BLKZCXDXUCYHJQ-BDJLRTHQSA-N 399.369 3.337 0 1 GGAF CCC(=O)[C@@H]1C(=O)OC(C)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587829252 BMAWFDXRRJMIBL-MTHQLEKQSA-N 396.256 3.374 0 1 GGAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(S)nc(S)nc4[nH]3)cc2N1 587125047 PAQQZSDHLLZQQA-INEUFUBQSA-N 387.416 3.101 0 1 GGAF CN1CCc2c(Br)cccc2[C@]1(CC(=O)c1ccn(C)n1)C(F)F 963281201 QCJBZPNXPTUFFS-QGZVFWFLSA-N 398.251 3.404 0 1 GGAF Cc1c([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cnn1-c1ccccc1F 963025115 JMTYLVRJKQEYNP-JLCFBVMHSA-N 376.435 3.463 0 1 GGAF O=C(Nc1ccc(C(=O)N2CC[C@H]3COC[C@@H]3C2)cc1)N1Cc2ccccc2C1 166137840 MNOTXRADYLCPIP-PMACEKPBSA-N 391.471 3.343 0 1 GGAF Cc1cnc(-c2cccc(-c3cc(CC(=O)O)c(C)cn3)n2)cc1CC(=O)O 238808934 FWUGFSRGNNCRSJ-UHFFFAOYSA-N 377.400 3.077 0 1 GGAF CCC=CC[C@H](O)[C@@H](O)C=CC=CC=CC=C[C@H](O)CC=CCCC(=O)O 2356345018 IKFAUGXNBOBQDM-ACRUOGEOSA-N 376.493 3.461 0 1 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCCOC 4153349 CRGSUWUMQBDEPW-MJGOQNOKSA-N 388.489 3.391 0 1 GGAF CCOC(=O)CCCCO[C@@H](COCc1ccc(OC)cc1)Cn1ccnc1 29482414 XWKACUCILSFSRX-HXUWFJFHSA-N 390.480 3.227 0 1 GGAF CCCCCC=CC[C@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)NCCO 2356534486 DQLVVNIINUTUIU-LEWJYISDSA-N 379.541 3.182 0 1 GGAF O=C1NC(=O)C(c2cccc3ccoc23)=C1c1cn2c3c(cccc13)CNCC2 28132794 KQPIZIMTVIHVTG-UHFFFAOYSA-N 383.407 3.058 0 1 GGAF COc1cccc2c1N(C(C)=O)C13CCC4(CC1)[C@H]1N(CC[C@H]4OC)CC[C@@]213 2356672105 XEEOVAZKEUVSCZ-ZJGYIGOKSA-N 382.504 3.105 0 1 GGAF CC1=C[C@H]([C@@H]2O[C@@H]3CCCn4c([C@@H]5C[C@H](C)C(=O)O5)ccc4[C@H]3[C@@H]2C)OC1=O 2356754659 JAIHEXISEDXFLY-CHQCLVSLSA-N 385.460 3.265 0 1 GGAF CC(=O)N[C@@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218971445 YKPSMQFFZJXOCA-FXALBQAHSA-N 384.520 3.138 0 1 GGAF O=C(Nc1ccc2sc(CO)nc2c1)c1ccc(OCC(F)(F)F)nc1 35983273 WXKGNWGKQBFKKW-UHFFFAOYSA-N 383.351 3.377 0 1 GGAF Nc1ncnc2[nH]c(N3CCC(Oc4ccccc4C(F)(F)F)CC3)nc12 72122938 CJZNKOIMXMXMTI-UHFFFAOYSA-N 378.358 3.002 0 1 GGAF C[C@@H]1CC[C@@H](Oc2cc(Cl)ccn2)CN1C(=O)c1ccccc1-n1nccn1 220188763 WIDCOPZQOQTJEQ-GDBMZVCRSA-N 397.866 3.388 0 1 GGAF CCn1cc(C(=O)NC)c(=O)c2cc(F)c3[nH]c(-c4ccc(F)cc4)nc3c21 40943267 NMLDZCRUWCFWSD-UHFFFAOYSA-N 382.370 3.203 0 1 GGAF COCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc(F)cc2)n1 82141064 CJVQXWKSCOCWGV-HUUCEWRRSA-N 386.471 3.459 0 1 GGAF COc1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)ccn1 147854727 MFJLPHZGWGQFNJ-UHFFFAOYSA-N 386.411 3.378 0 1 GGAF CC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)NC(C)C 95895069 FBEAZEFQULRAGL-BDTNDASRSA-N 399.535 3.027 0 1 GGAF CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCOCC4)n(C(C)C)c3)c12 146837843 XWXWRUUUWSOEEC-UHFFFAOYSA-N 397.479 3.267 0 1 GGAF O=C(C1CCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 95893477 BIRAUTLKEYTQRA-VSKRKVRLSA-N 390.483 3.193 0 1 GGAF Cc1cc(C)cc(Nc2nccc(-n3cc(CN4CCC(O)CC4)c(C)n3)n2)c1 473120673 OZXXFKKQRIWIEX-UHFFFAOYSA-N 392.507 3.288 0 1 GGAF COCCCOc1ccc2cc(-c3noc([C@@H]4CCCN4C(=N)N)n3)ccc2c1 653884771 ROEZHUZWFXYMKG-SFHVURJKSA-N 395.463 3.335 0 1 GGAF COC(=O)C[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585964 JAGPMPYUVDAGBZ-KNQAVFIVSA-N 391.379 3.207 0 1 GGAF CCn1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1C 587661918 TZKRPRRDOSPJPS-UHFFFAOYSA-N 376.391 3.416 0 1 GGAF COc1cc2c(c(OC)c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587526298 QPGAFWFYIAHONB-QFIPXVFZSA-N 379.412 3.395 0 1 GGAF CCOC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587648909 CKTDMWWDIAECBO-UHFFFAOYSA-N 389.404 3.123 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)O2 587393260 DKAMZQDEUNWZCC-GDBMZVCRSA-N 376.453 3.283 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]1[C@@H]5C1(OCCO1)[C@H]42 587493786 VTKVSYQZXFSTIP-ZQMGCXTOSA-N 394.467 3.180 0 1 GGAF COc1cc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ncn1 587780000 XGSICGQLPPVWHG-DYZYQPBXSA-N 380.261 3.379 0 1 GGAF CC(C)(C)OC(=O)N(Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)C[C@H]1CCCO1 587197144 KEXDEQKGMYJGKP-LLVKDONJSA-N 393.415 3.316 0 1 GGAF COc1cc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ncn1 587776431 CKOLWIDVFRCJFU-QGHHPUGFSA-N 380.261 3.379 0 1 GGAF Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1 5067094 IBJBUQQKZGKPTK-SFHVURJKSA-N 395.484 3.335 0 3 GGAF CC1=C[C@@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)NCc3ccccc3)C(=O)[C@H]21 169304390 DXHRWRQLRWGVBH-FVVUREQNSA-N 397.544 3.035 0 1 GGAF Cc1ncc(C)n2nc(CCc3cn4c(n3)-c3ccccc3[C@H]4C(C)(C)O)nc12 169704381 MMJBLWRXANVBFS-IBGZPJMESA-N 388.475 3.064 0 1 GGAF Cn1ccc(CNC(=O)c2ccc(NC(=O)N3Cc4ccc(F)cc4C3)cc2)n1 167845349 GARAJYHNQJJJCB-UHFFFAOYSA-N 393.422 3.037 0 1 GGAF Cc1ccc2ncc(S(=O)(=O)c3cccc(C#N)c3)c(N3CCOCC3)c2c1 201540950 FLJJISLFHUNDIV-UHFFFAOYSA-N 393.468 3.084 0 1 GGAF O=C(NCc1cccnc1)Nc1ccc(CN2C(=O)c3ccccc3C2=O)cc1 1857647716 KKBVILNJYCRNQY-UHFFFAOYSA-N 386.411 3.200 0 1 GGAF COc1ccc(-c2noc(N3CCC(C(=O)N4C[C@H](C)C[C@@H](C)C4)CC3)n2)cc1 6833862 DOQQOACJDODUJH-HZPDHXFCSA-N 398.507 3.466 0 1 GGAF O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CC[C@@H]2CCCC[C@H]2C1 8161314 MVAYEPQJQCMWKI-WMZOPIPTSA-N 376.522 3.123 0 1 GGAF C[C@@H](n1ncc2cc(F)ccc21)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 28951805 XXOPOSUEJDZGPW-CWTRNNRKSA-N 387.365 3.194 0 1 GGAF O=S(=O)(c1ccc(Cl)cc1)c1cn([C@H]2CCCNC2)c2ncccc12 28862303 KPALTMJMYGUHON-AWEZNQCLSA-N 375.881 3.447 0 1 GGAF CCCCCCN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356507790 HHJJCXLDMWYKPN-KJJMTIBFSA-N 383.536 3.214 0 1 GGAF O[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1 72114880 NRHSVQQMHXSELI-JOCHJYFZSA-N 375.472 3.255 0 1 GGAF Cn1cc(-c2cc(C(=O)N3CC3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144840792 SACVXOASCGJTLQ-FQEVSTJZSA-N 399.372 3.322 0 1 GGAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cc(F)ccc2o1 95572758 NQINNTGTVUJDLU-GHTZIAJQSA-N 379.435 3.402 0 1 GGAF CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(NC(=S)NCc3ccccc3)C(=O)[C@@H]12 253676408 DXHRWRQLRWGVBH-XCDZQEORSA-N 397.544 3.035 0 1 GGAF CC(=O)OC[C@](O)([C@H](O)CO)[C@@H]1C[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@@]32C)C1 473090419 OVDONPAXHCFZKS-FCFLTHKLSA-N 396.568 3.293 0 1 GGAF CC/C=C/c1c(C)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N 473112255 BVUSGDWPLNLXOV-FNORWQNLSA-N 395.551 3.078 0 1 GGAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccoc1 653878782 PCRMFPWRNYGMHI-UHFFFAOYSA-N 376.796 3.161 0 1 GGAF COC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1C 587575913 GWHXBMVKQIJCEX-GCJKJVERSA-N 393.395 3.394 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2c(c1)OCCO2 587587546 OIQFMAIGVUUBNG-PXNSSMCTSA-N 377.352 3.261 0 1 GGAF COc1cc2c3c(c1)O[C@@H]([C@H]1CCN(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 587437435 IJPKZWTXTIVJBW-VPKVUBIPSA-N 393.439 3.470 0 1 GGAF Nc1cc(C(=O)O)cc(-c2nc3cccc(I)c3[nH]2)c1 587249577 ONMIMEXGKZLXQY-UHFFFAOYSA-N 379.157 3.115 0 1 GGAF COC(=O)c1cccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c12 587234788 WGJKQNVWLBWZTB-UHFFFAOYSA-N 387.436 3.213 0 1 GGAF CC(C)(C)c1ccc2nc(-c3nccnc3I)[nH]c2n1 587186715 PVUZHGVYJYJRCK-UHFFFAOYSA-N 379.205 3.317 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)OC(C)(C)C)(C1CCOCC1)O2 587387174 NTWXODVRXNQVLK-OAQYLSRUSA-N 390.480 3.233 0 1 GGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 586948003 JOONLHVWKKUDOM-UHFFFAOYSA-N 385.371 3.189 0 1 GGAF COC(=O)[C@@H]1CC2(CC[C@@]13NCCc1c(Cl)cc(Cl)cc13)OCCO2 963117221 XVRJSZDKYSNNET-KSSFIOAISA-N 386.275 3.051 0 1 GGAF CC(C)c1nn(C)c2c1[C@@]1(CC(=O)C[C@H](c3ccc4c(c3)OCO4)C1)NCC2 962916755 FEOXTTCIWWNYFF-OYHNWAKOSA-N 381.476 3.150 0 1 GGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](C(F)F)([C@@H]2CCCC2=O)N1 962974709 LDLCASOJYRICGE-QDARRQSJSA-N 379.737 3.047 0 1 GGAF CC(=O)Nc1ccc(Oc2sc(C(N)=O)c3c2-c2sncc2CC3)cn1 1772580362 BKXGAUBREGVJQM-UHFFFAOYSA-N 386.458 3.215 0 1 GGAF COc1ccc(-c2cc(=O)c3c(OC(C)=O)c(OC)c(OC(C)=O)cc3o2)cc1 5166807 GSYWNORCKBQCIW-UHFFFAOYSA-N 398.367 3.328 0 1 GGAF biogenic O=C(O)[C@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)OCc1ccccc1 13446622 RLYGGVZJEYKXNF-HXUWFJFHSA-N 391.427 3.080 0 1 GGAF Cc1ccc(CN2CCN(Cc3nc4c(s3)CCCC4)C[C@@H]2CCO)cc1 19741643 HWOUBIQXUGGAOM-IBGZPJMESA-N 385.577 3.399 0 3 GGAF CO[C@@H]1CCC(=O)N(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1 1857760774 IZQXJNDWYPKQNX-HZPDHXFCSA-N 388.414 3.071 0 1 GGAF CCOC(=O)[C@@H]1C(C)=C(Nc2ccc(OC)cc2)C(=O)N1c1ccc(OC)cc1 3669286 WGFFYVHZXOTHDR-FQEVSTJZSA-N 396.443 3.368 0 3 GGAF O=C1NC(=O)/C(=C\c2ccc(OC[C@@H]3CCCN3c3ccccn3)cc2)S1 3941224 GRLCJTHTWOJWJS-YSKWHIJTSA-N 381.457 3.453 0 1 GGAF Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 4001696 YOIGDNQMUUNNLE-YVEFUNNKSA-N 391.493 3.401 0 3 GGAF C#Cc1cccc(Nc2ncnc3ccc(OCCCCC(=O)NO)cc23)c1 59149212 HIOLVQCXVNHQKZ-UHFFFAOYSA-N 376.416 3.409 0 1 GGAF O=C1c2cnn(-c3ccccc3)c2CCCN1C1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 101668576 DXTVIGRKFLRQSS-QROXPKNFSA-N 377.488 3.200 0 1 GGAF COc1ccccc1C(=O)NC[C@@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1 2356299081 VGZRZANXSKELQA-MRXNPFEDSA-N 381.407 3.027 0 1 GGAF COC(=O)C1=CO[C@H](C)[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@H]12 105014084 KXEMQEGRZWUKJS-RXDRHKEWSA-N 382.460 3.187 0 1 GGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4sccc4-n4cccc4)C[C@H]3C2)n1 116821925 DVFNTCCOGHJMNT-CALCHBBNSA-N 393.516 3.154 0 1 GGAF COCCOc1cc(C)c2c(c1C)[C@H](O)[C@@H]([C@H](C)C(=O)N1CCCC1)CC2 4222602 HXCUJONCFQGFQG-RRMPHLOHSA-N 375.509 3.183 0 1 GGAF biogenic CN1CCC[C@@H]1COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 82073299 SJHIUJMYRWXUPG-AEFFLSMTSA-N 399.516 3.052 0 1 GGAF O=c1c(/C=C/c2ccccc2Cl)c(N2CCN(Cc3ccccc3)CC2)c1=O 49089306 YXRBXVOEXWCQBX-ZHACJKMWSA-N 392.886 3.429 0 1 GGAF Cn1cc(C2=C(c3cccc4cc(CN)ccc34)C(=O)NC2=O)c2ccccc21 137306033 BLYAGPCWZUKSNN-UHFFFAOYSA-N 381.435 3.357 0 1 GGAF CN(C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1)C1CCCCC1 82132985 LDVDYJKSFVRMHH-UHFFFAOYSA-N 380.492 3.385 0 1 GGAF O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CCCC12CCC2 146429952 FWLFSZKDWQACBC-UHFFFAOYSA-N 377.435 3.484 0 1 GGAF O=C(Nc1cc(-c2ccccc2)no1)c1ccc2nc3n(c2c1)CCCNC3=O 147129687 SMGYOERWRLLOJT-UHFFFAOYSA-N 387.399 3.077 0 1 GGAF CC(C)(CNC(=O)c1ncc2cc(Cc3ccccc3)ccc2c1O)C(=O)O 146670805 SIXVEKJOZTWGTE-UHFFFAOYSA-N 378.428 3.372 0 1 GGAF COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1C 587576622 JTOALFUTZFBVPX-XLIONFOSSA-N 379.368 3.220 0 1 GGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(C)nc(C)cc2[nH]1 586937701 RZGXUUOUEGKZJD-HNNXBMFYSA-N 390.534 3.347 0 1 GGAF O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 587348012 BXGWWVJLGJNRQK-HHPCGTSPSA-N 380.371 3.226 0 1 GGAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(N)ncnc3[nH]1)N2 587032270 SIKHDSRJHPGFJW-HMXLAXJASA-N 387.494 3.062 0 1 GGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](C(F)F)([C@H]2CCCC2=O)N1 962974705 LDLCASOJYRICGE-GFSUWRJQSA-N 379.737 3.047 0 1 GGAF Cc1nnc2sc(C(=O)NCc3ccc(-c4ccnnc4)cc3)c(N)c2c1C 1772653955 LNKKGMZXHKDFEJ-UHFFFAOYSA-N 390.472 3.277 0 1 GGAF c1ccc2oc(-c3cnnc(N4CCC(N5CCSCC5)CC4)n3)cc2c1 12091710 YTKZXZYRCUZBTE-UHFFFAOYSA-N 381.505 3.302 0 1 GGAF COc1ccc(OCc2cc(C(=O)N3CCC[C@H](CO)C3)no2)c2ccccc12 12314027 BERRTVYKIYHINB-HNNXBMFYSA-N 396.443 3.260 0 3 GGAF O=C(NCCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Br)cc12 13456457 LEKOBDWHOGSGQT-UHFFFAOYSA-N 387.233 3.178 0 1 GGAF O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NC[C@@H]1CCCO1 14984005 OYMSFDHQRJBRNE-REWPJTCUSA-N 380.488 3.107 0 1 GGAF CN1CCN(C[C@@H](O)c2cc(-c3ccc(F)cc3)nc3cc(F)ccc23)CC1 169334828 CQTRBCLDVBFOSU-JOCHJYFZSA-N 383.442 3.461 0 1 GGAF Cc1cc2ccccc2n1CCNC(=O)c1ccc2[nH]c(=S)[nH]c(=O)c2c1 169351817 DBDQXFPEJVANLQ-UHFFFAOYSA-N 378.457 3.279 0 1 GGAF C[C@H](NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)c1cnn(C)c1 165759982 MEPLDDPQWHKYAU-HNNXBMFYSA-N 389.459 3.459 0 1 GGAF CC/C=C\C/C=C\C/C=C\C[C@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)CCC(=O)O 4654947 XAFFULPVQSAGOV-NVKYLASRSA-N 378.509 3.375 0 1 GGAF in-vitro CCOC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 40428950 HVVATTVDTXUCFR-UHFFFAOYSA-N 391.427 3.406 0 1 GGAF O=C(NCCc1ccccc1)[C@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61907247 KXUWMZRFBUYYMH-OAQYLSRUSA-N 388.423 3.140 0 3 GGAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC3)ns2)n1 66112733 ULZISYPWXIGTKR-UHFFFAOYSA-N 380.481 3.224 0 1 GGAF O=S1(=O)C[C@@H](N2CCC(Cc3ccccc3)CC2)CN1Cc1ccccc1 72139337 CXCFLKGKADZHEG-QFIPXVFZSA-N 384.545 3.155 0 3 GGAF COc1ccccc1-c1nc2c(C(=O)N[C@@H]3CN4CCC3CC4)cccc2o1 35900717 QZEXFNKCPOFGAE-QGZVFWFLSA-N 377.444 3.327 0 1 GGAF COC1=C[C@@]2(Oc3ccc(-c4ccccc4OC)cc3C2=O)C(OC)=C[C@@H]1O 73166574 OZSBCCYIWLJSNE-KSFYIVLOSA-N 380.396 3.111 0 1 GGAF N[C@@H](CNCc1ccc(Cl)c(Cl)c1)CNc1cc(=O)c2ccccc2[nH]1 40845129 FMHQYNBRWGGXIM-ZDUSSCGKSA-N 391.302 3.364 0 1 GGAF CCOC(=O)[C@H](NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21)[C@@H](C)CC 40379942 PQEMQMZAKUUASG-XAUMDUMWSA-N 396.487 3.300 0 1 GGAF CN1C(=O)CN=C(c2ccccc2I)c2ccccc21 1911574761 YSCSTECOXAQMJW-UHFFFAOYSA-N 376.197 3.105 0 1 GGAF O=C(O)CC/C=C\C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)C/C=C\CCO 224707049 RXZULUQRGUAOLG-OCDBVANQSA-N 376.493 3.463 0 1 GGAF O=c1cc(N2CCOCC2)[nH]c(Cc2nc3c(-c4cccs4)cccc3o2)n1 84710277 FPAPMCJELAEURQ-UHFFFAOYSA-N 394.456 3.067 0 1 GGAF COc1cc(/C=C/C(=O)O)ccc1Oc1c(/C=C/C(=O)O)ccc(O)c1OC 238741111 GOQCNANTYPXENH-IPHTWBMMSA-N 386.356 3.397 0 1 GGAF CCOC(=O)C[C@H](C)NC(=O)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 147972798 KEUAWEIMFBDOKK-LBPRGKRZSA-N 391.431 3.178 0 1 GGAF O=C(NCCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccccc1Cl 95598686 CPXNAFAEGAYCGV-UHFFFAOYSA-N 398.894 3.462 0 3 GGAF O[C@@H](COc1ccc(C(F)(F)F)cc1)CN1CCN(c2ccc(F)cc2)CC1 95589019 MKGJNRZJXOPDCP-GOSISDBHSA-N 398.400 3.406 0 1 GGAF C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1 252170361 NUTRZZDKYNDEFH-IMFGXOCKSA-N 380.492 3.099 0 1 GGAF COc1ccc(-c2nc3ccc(CO)cc3[nH]2)c(I)c1 587179944 JWTCIWXCDWAMDX-UHFFFAOYSA-N 380.185 3.335 0 1 GGAF NS(=O)(=O)c1cccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587016707 ASZJEXTWGLFYIF-UHFFFAOYSA-N 391.865 3.049 0 1 GGAF O=C(NCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1cc2c(s1)CCC2 587035452 ULGWKZNQXDYWOW-UHFFFAOYSA-N 381.436 3.368 0 1 GGAF Cn1ncc2c(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)ncnc21 587656134 FYNMAQBAJLKHOI-UHFFFAOYSA-N 390.353 3.008 0 1 GGAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc(N(C)C)n1 587573617 TVVMEEPDEODTAL-XLIONFOSSA-N 377.400 3.260 0 1 GGAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587217418 VWGOGYWEVINEBM-SFHVURJKSA-N 394.496 3.458 0 1 GGAF O=Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C=O)c1O 587608562 LPNKJPZXMQVZTC-AVRDEDQJSA-N 390.347 3.426 0 1 GGAF CC(=O)c1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C 587581765 MJWMKMTVDDHSAF-UWJYYQICSA-N 378.384 3.205 0 1 GGAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1 587203456 QHXJDSORMGNGRL-GFCCVEGCSA-N 393.321 3.422 0 1 GGAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587933476 YLBOMCNZCNLDBR-VLIAUNLRSA-N 385.489 3.267 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Oc3cc(O)ccc32)N1 587843607 SVVLYQDVIJZBGS-NIVTXAMTSA-N 392.224 3.381 0 1 GGAF COC[C@@H]1C[C@@H]1c1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@@H]1CCCNC1 1772584588 VNPQQGXWMYSECL-AXFHLTTASA-N 397.306 3.116 0 1 GGAF COc1cccc(COc2ccc(-c3ccc(=N)n(CCCC(=O)O)n3)cc2)c1 169293618 VPZOLJKOURRVNO-UHFFFAOYSA-N 393.443 3.482 0 1 GGAF Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@H]1CCCN(C)C1 205608252 QHSQJGQBKOIBPQ-SFHVURJKSA-N 384.524 3.426 0 1 GGAF Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(=NCCCC(=O)O)[nH]1 1857548112 DZTWMQXAKJUHAQ-UHFFFAOYSA-N 382.511 3.258 0 1 GGAF Cc1nn(-c2cccc(F)c2)c2c1[C@@H](c1ccc(F)cc1)CS(=O)(=O)O2 1857553007 HUWIMJHYMXVUNM-MRXNPFEDSA-N 376.384 3.313 0 1 GGAF O=C(O)CCC=CCC=CC[C@H](O)C=CC=CC=C[C@H](O)CC=CCCO 2356340553 RXZULUQRGUAOLG-SFTDATJTSA-N 376.493 3.463 0 1 GGAF Cc1nn(CC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)c(=O)c2cc3cc(F)ccc3n12 6749917 SWCOIVXMTTXRBT-DCGLDWPTSA-N 384.455 3.038 0 1 GGAF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](OC(C)=O)CC=C(C)[C@H]21 2356461050 TURJFYBHQNTMCA-ZCPVAAPISA-N 390.476 3.494 0 1 GGAF CC(C)N1CC([N+](=O)[O-])=C2N(C[C@@H]3CCC[C@@H]3N2Cc2ccc(Cl)nc2)C1 35079197 ZMVBXAQMCRBSAB-HOTGVXAUSA-N 391.903 3.149 0 1 GGAF CC(=O)O[C@@]1(C)C(=O)C[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 39180402 CJAPKANNYVSMFT-KVEDYDLGSA-N 392.492 3.043 0 1 GGAF biogenic,in-vitro CN(Cc1cn2c(N3CCC(N)CC3)cccc2n1)[C@H]1CCCc2cccnc21 35967828 GRGVJGVHZOIZFP-FQEVSTJZSA-N 390.535 3.166 0 1 GGAF CC[C@@]12C[C@@]3(C(=O)OC)O[C@@H]1C=CN1CCc4c(n3c3cc(OC)ccc43)[C@@H]12 14829368 DBPXQDNGUYSBPA-IYERYRBDSA-N 380.444 3.101 0 1 GGAF biogenic COC1(C)CN(c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)C1 210810046 FYZLMJOHBNAYCJ-CYBMUJFWSA-N 380.452 3.066 0 1 GGAF COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CC[C@@H](CF)C4)ncn3)c2c1 225558200 DKXAQKPXUXMUSW-KBPBESRZSA-N 385.443 3.229 0 1 GGAF O=C(NCc1cccc(Cl)c1)[C@H]1CCC[C@@H](Nc2ncnc3nc[nH]c23)C1 221316692 PSUYBUSZSNZFBV-DZGCQCFKSA-N 384.871 3.293 0 1 GGAF O=C(Nc1cccc(CN2CCN(C(=O)c3ccccc3)CC2)c1)c1ccco1 45228160 BEGCDPGRGCHXHT-UHFFFAOYSA-N 389.455 3.490 0 1 GGAF COc1cc(OC)c(CNc2ncnc3c2ncn3[C@@H]2CCCCO2)c(OC)c1 40915608 AXLZKWAXZFFKGM-KRWDZBQOSA-N 399.451 3.163 0 1 GGAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(Cc3cccc(F)c3)C23CN(C(C)=O)C3)cc1 95794342 YLSRBQOTZFUKOH-ZHZIVEOGSA-N 394.490 3.420 0 1 GGAF CC(C)C[C@@H]1COCc2cn(nn2)CC[C@H](Cc2cccc(Cl)c2)C(=O)N1 95662330 SOHYHTLQVKWNGI-SJLPKXTDSA-N 390.915 3.242 0 1 GGAF O=S1(=O)C[C@H](N2CCC(Cc3ccccc3)CC2)CN1C1CCCCC1 95569036 ZBGJSARNDURCJB-OAQYLSRUSA-N 376.566 3.288 0 3 GGAF Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@@H](C(=O)NCCc2cccs2)N(C)[C@@H]31 261103764 GZZDLQKHHGJFCA-RYGJVYDSSA-N 394.544 3.449 0 3 GGAF O=C(NCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc2ccoc12 299840796 WFDUJPPYGZNMDX-UHFFFAOYSA-N 394.475 3.019 0 1 GGAF Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1ccc(Cl)cc1 299832882 GWKYROLOBXATTO-UHFFFAOYSA-N 394.818 3.018 0 1 GGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 587228910 UBSOPCBQBXEVKC-UHFFFAOYSA-N 392.337 3.479 0 1 GGAF COc1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cn1 586960373 PEKRBVXVBQIAMW-HSZRJFAPSA-N 394.294 3.469 0 1 GGAF CCOC(=O)[C@H]1CSCC[C@]12c1cccc(Br)c1CCN2C 963270689 QSRNYSFHWPUULN-PBHICJAKSA-N 384.339 3.449 0 1 GGAF CCCNc1ncc([C@@H]2NCC3(CCOCC3)c3ccc(OC)c(OC)c32)cn1 963197770 ZVXYJUHRZKBSLD-IBGZPJMESA-N 398.507 3.057 0 1 GGAF Cc1cc2c(cc1O)[C@]1(C[C@H](C)[C@@H](C)N(Cc3ccccc3)C1)N[C@H](C(=O)O)C2 963511671 UTRPAELIVGFWLM-MVTBNZFJSA-N 394.515 3.425 0 1 GGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](COCc2ccccc2)(C(F)(F)F)N1 962910963 XVHPBQYVIAJCNT-WMZOPIPTSA-N 383.341 3.399 0 1 GGAF O[C@@H]1CCCCCCCN=C2N=c3c(c(-c4ccccc4)cn3CCCC1)=CN2 1772622321 ZJTWKNHQHNLTPO-HXUWFJFHSA-N 392.547 3.357 0 1 GGAF c1cncc(-c2nnc(SCCSc3nnc(-c4cccnc4)o3)o2)c1 5000586 OCLUWBUXZGJEET-UHFFFAOYSA-N 384.446 3.461 0 3 GGAF CC(C)NC(=O)C1CCN(C2CCN(Cc3ccc(F)cc3F)CC2)CC1 11843738 WGUQPXHFZPBRJN-UHFFFAOYSA-N 379.495 3.166 0 1 GGAF Cc1nc2cnccc2n1CC1CCN(C(=O)[C@@H](C)c2ccc(N)cc2)CC1 13863936 CUODURPWOISAGT-HNNXBMFYSA-N 377.492 3.364 0 1 GGAF O=C1COCc2ccc(-c3ccc(Cl)cc3)cc2N1CCN1CCOCC1 206057111 HABLHRJJVOCZJS-UHFFFAOYSA-N 386.879 3.202 0 3 GGAF O=C(NCCN1CCCCC1)c1ccc(OC2CCN(C3CCC3)CC2)cc1 1857567782 SNEOPDNVNBBSDE-UHFFFAOYSA-N 385.552 3.298 0 1 GGAF COc1ccc(OCCN2CCN(C(=O)c3cc4cccc(C)c4[nH]3)CC2)cc1 205942874 UQVUXUJHZYIOHV-UHFFFAOYSA-N 393.487 3.322 0 1 GGAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4049350 BGAFBUDOOJUNFM-FNHZYXHNSA-N 390.842 3.458 0 1 GGAF CC(C)CCN1CC(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc21 1911586227 FFYNGMDUPIRSOX-UHFFFAOYSA-N 377.395 3.033 0 1 GGAF COc1cc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2C(C)=O)cc(OC)c1OC 58583140 AXJHFRFVPWAUQX-IBGZPJMESA-N 397.475 3.476 0 1 GGAF CCN(CCOc1ccc(C[C@H](NC(C)=O)C(=O)O)cc1)c1cccc(C)c1 28708281 GOWRDSRHBHTHDG-NRFANRHFSA-N 384.476 3.032 0 1 GGAF CCCC[C@@](C)(O)C/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)CO 27763323 KZRFFIVMBRBAAB-FYNLWUHZSA-N 382.541 3.342 0 1 GGAF Cn1c(CO[C@@H]2CN(Cc3ccc(C(=O)O)cc3)C[C@@H]2F)nc2ccccc21 2356300018 SGABQIUQVZYBMT-QFBILLFUSA-N 383.423 3.011 0 1 GGAF CC(C)=CCCN1C[C@H]2[C@H](NC(=O)[C@@](O)(c3ccccc3)C3CCCC3)[C@H]2C1 101125097 AEJIBUFVDPGRBC-HOUBMWHVSA-N 382.548 3.467 0 1 GGAF O=S(=O)(N[C@@H]1[C@H]2CC[C@@]1(CO)Cc1ccccc1C2)c1ccc(Cl)s1 101164214 GYBDFFZMKZVVPY-VHSSKADRSA-N 397.949 3.236 0 1 GGAF CCOC(=O)[C@@H](C)Oc1cc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c(F)cc1Cl 103207355 FZNRPVAJCDOIBM-UTUOFQBUSA-N 397.830 3.489 0 1 GGAF COc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@H]32)n1 116824867 QKNCGIRCYXKJSV-YLJYHZDGSA-N 386.455 3.113 0 1 GGAF O=c1[nH]c2ccc(Cl)cc2c(N[C@H]2CCNC2)c1-c1nc2ccccc2[nH]1 34803994 JRIHGYFVJLYMSJ-LBPRGKRZSA-N 379.851 3.499 0 1 GGAF N[C@@H]1CCCN(c2c(/C=C3\SC(=O)NC3=O)cccc2-c2ccncc2)C1 84670256 HPGYBULDKFXBFU-QJISPJEISA-N 380.473 3.000 0 1 GGAF CC(=O)OC[C@@]1(C)[C@H]2CC=C(C)[C@@H](CC[C@@H](C)CC(=O)O)[C@]2(C)C[C@H](O)[C@@H]1O 85933534 YNJSZOPMVFGVDM-NGESLJTNSA-N 396.524 3.161 0 1 GGAF O=C1CN=C(n2cnc(C3CCC3)c2)C=C2c3cccc(-n4cccn4)c3CCN12 149254531 KTFXSXTXQMPJMO-UHFFFAOYSA-N 398.470 3.022 0 1 GGAF CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 95873941 ZFJSDRDQKLPFMQ-RBZQAINGSA-N 378.516 3.433 0 1 GGAF O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 95869224 LRSXIIXLGAPHOW-YADHBBJMSA-N 382.548 3.408 0 1 GGAF NCCn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cc(F)ccc21 96929138 BLJUQKCPZSXZCL-UHFFFAOYSA-N 389.386 3.053 0 1 GGAF O=C1NC[C@@]2(CCCCCOc3ccccc31)CCCN(C(=O)c1cc[nH]n1)C2 618017313 OAODMMVCJIURII-JOCHJYFZSA-N 396.491 3.015 0 1 GGAF CC(C)N1CCC(Oc2ccc(C(=O)N[C@H]3CCN(C4CCC4)C3)cc2)CC1 653765556 UNIPCQHJAPJPMM-IBGZPJMESA-N 385.552 3.295 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cnn(CC)c1)CC2=O 587476248 QXOCUIZAPLCYAJ-NRFANRHFSA-N 386.448 3.375 0 1 GGAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(N)ccc(O)c41)[C@@H](C2)C3=O 587432240 IURIRBMXDUBYGA-IZHWHUGBSA-N 399.402 3.219 0 1 GGAF COC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1OC 587117257 FRRXBEJWSSQFMZ-UHFFFAOYSA-N 394.353 3.499 0 1 GGAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(O)nc(O)nc2[nH]1 587034871 MLHUVGCZWIZLHG-JTQLQIEISA-N 383.433 3.250 0 1 GGAF CC1=C(c2ccc3[nH]c(C(=O)Nc4ccccc4Cl)nc3c2)NNC(=O)C1 587060474 NCMXYGBKJSOILB-UHFFFAOYSA-N 381.823 3.224 0 1 GGAF COc1cccc2nc([C@H](C)n3ncc(I)c3C)[nH]c12 587183054 UPXIHWWTSOJCND-VIFPVBQESA-N 382.205 3.290 0 1 GGAF COC(=O)c1cnc([C@]2(C)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)s1 962574152 SWXRYKBEHDBQEI-WYRIXSBYSA-N 376.478 3.087 0 1 GGAF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2[C@@H](O[N+](=O)[O-])C[C@]2(C)[C@@H](O)CC[C@@H]12 5712374 UPINFWLBXPICIJ-SIRBJWHBSA-N 375.421 3.016 0 1 GGAF COc1ccc(C(=O)O[C@H]2[C@@H](C)OC=C[C@H]2OC(=O)c2ccc(OC)cc2)cc1 5810390 OEHLTPIDZCHVKH-XMCHAPAWSA-N 398.411 3.387 0 1 GGAF CCOc1ccccc1N1CCN(C(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)CC1 12547055 VTCXQKYLJCLLNH-WVKNIADZSA-N 384.520 3.065 0 1 GGAF Cc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)no1 169707982 OZWKAGGPSKWBMR-UHFFFAOYSA-N 390.403 3.187 0 1 GGAF CCn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)ccc1=O 209433425 AECOYYTUHICNPD-AEFFLSMTSA-N 392.459 3.220 0 1 GGAF O=C(Nc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2cc3ccccc3o2)CC1 27356398 YVHJHRLRDRMNDI-UHFFFAOYSA-N 394.387 3.331 0 1 GGAF F[C@H]1CN(Cc2ccnc3ccccc23)C[C@H]1OCc1nc2cccnc2[nH]1 2356299319 GBIOIKWCKGULTO-QFBILLFUSA-N 377.423 3.245 0 1 GGAF O=S(=O)(N[C@H]1[C@@H]2CCCC[C@]1(C1=NCCN1)CC2)c1ccc(Cl)s1 101142290 OLLQXCBDIMYQRB-WPGHFRTFSA-N 387.958 3.021 0 1 GGAF CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(/C=C\C(N)=O)ccc2c1=O 113518880 UMRSSKBWGUGDJF-LUAWRHEFSA-N 375.472 3.282 0 1 GGAF Cc1cc(Cl)cnc1C(=O)Nc1cccc([C@]2(C(F)F)COCC(N)=N2)c1 113657137 RMXOZKMRPLQRQJ-SFHVURJKSA-N 394.809 3.144 0 1 GGAF C[C@H](N)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 29234137 MRZURNFZUKIJQG-ZETCQYMHSA-N 382.367 3.275 0 1 GGAF CC(=O)OCC(=CCCC(C)=CCO)CC[C@H](O)[C@@]1(C)CC[C@@H](C(C)(C)O)O1 2356610315 HQNQQDPJKGHMFM-JAXLGGSGSA-N 398.540 3.044 0 1 GGAF CCCCCC(=O)NCCCNCCC[C@H](O)CC(=O)c1c(C)cccc1O 14649842 KZEDRVJROQHIMY-SFHVURJKSA-N 392.540 3.091 0 1 GGAF biogenic Cc1nc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cn2c1C 1911576471 JAASPZBJVCTYHN-UHFFFAOYSA-N 390.274 3.272 0 1 GGAF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@@H](C)/C=C\CC1)O[C@](O)([C@@H]1CSC(=O)N1)C2 238751149 NSHPHXHGRHSMIK-RUSPOGFYSA-N 395.521 3.303 0 1 GGAF Cc1ccc(C(=O)NCCN2CCC(n3c(O)nc4ccccc43)CC2)cc1F 95565524 OUTHPHPZXYSZGD-UHFFFAOYSA-N 396.466 3.256 0 3 GGAF CC(C)CN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1)C(=O)C1CC1 95895408 SBTJWGLNQZMNPK-BHIFYINESA-N 398.547 3.037 0 1 GGAF CCOc1ccc(NC(=O)[C@H]2C[C@@H](P(=O)(OCC)OCC)N(C)O2)cc1 95590980 CLZLFFRBOSGBQW-HZPDHXFCSA-N 386.385 3.252 0 1 GGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(C(C)=O)C2CCCC2)cc1 95663209 XURLGSABKWDFQF-YOARXFJZSA-N 384.520 3.186 0 1 GGAF COC(=O)C1([C@@H]2C[C@@H](O)[C@]3(C)CCC=C(C)CCC[C@H](C)[C@H](O)[C@@H]2O3)CC1 299815879 KHHOOLUXFFPRTF-PLYBDPPMSA-N 380.525 3.372 0 1 GGAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)OCc1cn(-c2ccccc2F)nn1 299866694 WFMWYCRBCCCDSN-LZSLGQGWSA-N 393.374 3.448 0 1 GGAF COc1ccc(-c2c(C)nn3c(=O)cc(-c4ccc5c(c4)OCCO5)[nH]c23)cc1 653680396 OVMMWQREXSNUGF-UHFFFAOYSA-N 389.411 3.445 0 1 GGAF COc1ncnc(OC)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587776198 BVWGZKQVCIAXCR-XLKFXECMSA-N 382.233 3.019 0 1 GGAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587202002 ABJDXMCAIDPGSV-NSHDSACASA-N 390.793 3.314 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(O)ccc1O 587867190 ABFWTWZDXGZMLE-UHFFFAOYSA-N 379.294 3.072 0 1 GGAF Cc1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2n1 587184493 DPRVIRUNXRJUHZ-GFCCVEGCSA-N 378.217 3.113 0 1 GGAF COc1ccc(C=O)cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587786566 HQALOUCVICTGTK-UHFFFAOYSA-N 375.388 3.110 0 1 GGAF Cn1ccnc1[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577189 MPLCDUOIHTZYIK-CVDCTZTESA-N 399.406 3.426 0 1 GGAF COc1ncccc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655906 HNTJOJYQJOPFCA-UHFFFAOYSA-N 393.349 3.434 0 1 GGAF Cc1[nH]c2c(C(=O)O)cccc2c1-n1ncc(I)c1C 587638160 MQGOXSXTOXBBES-UHFFFAOYSA-N 381.173 3.273 0 1 GGAF CC[C@@H](O)Cn1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O 587664300 DMMDDQCMDAQUEU-MRXNPFEDSA-N 381.476 3.386 0 1 GGAF Cc1c(Br)cc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2c1C 587259025 CRWIIFFSKDUQEE-AWEZNQCLSA-N 387.281 3.284 0 1 GGAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(Cl)cc(Br)c3[nH]2)c1 587258967 BNVALRUWQJGUJC-LBPRGKRZSA-N 393.672 3.320 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(S(C)(=O)=O)c1 587870025 SMTDMHZCHSFQTH-UHFFFAOYSA-N 397.378 3.365 0 1 GGAF Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](C)C1 1772635926 MWRCFJHYABVTIV-SJCJKPOMSA-N 397.928 3.168 0 1 GGAF Cc1ccc(OCc2cc(C(=O)NCc3cn4ccccc4n3)no2)cc1C 11932949 ZXPZRVDZGWRTEU-UHFFFAOYSA-N 376.416 3.448 0 3 GGAF Cc1ccc(OCC(=O)N2CCC[C@@](CO)(CCOc3ccccc3)C2)cc1 12200122 VKAKNRUBQTYKKH-HSZRJFAPSA-N 383.488 3.444 0 3 GGAF c1ccc2c(c1)OC[C@H](CNCC1CCN(c3cccc4c3OCCO4)CC1)O2 13799912 OGFDOBGWVXITBG-SFHVURJKSA-N 396.487 3.104 0 1 GGAF CCC(CC)Cn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc21 13839083 JAPDFTABRGXRHP-UHFFFAOYSA-N 399.495 3.461 0 1 GGAF CC(C)Oc1nc(C2CC2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 169311391 XLONFDACTTUKCS-BRACWNLKSA-N 376.522 3.477 0 1 GGAF COc1ccc(-c2cnn(C(C)(C)C(=O)NCc3ncccc3C)c2)cc1OC 206056663 CMKHIJFHHVKUPO-UHFFFAOYSA-N 394.475 3.322 0 3 GGAF CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1 1857648212 AAOVWMQILKLPHR-UHFFFAOYSA-N 376.840 3.163 0 1 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388.533 3.479 0 1 GGAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1[C@H]2CCC[C@H]1C[C@@H](C(N)=O)C2 101069217 VSBPAZLSKLWBGS-AYMQEEERSA-N 378.900 3.294 0 1 GGAF CCCCNC(=O)[C@H](NC(=O)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1 26748322 BUOHVHKECJWLHK-RDPWEWGOSA-N 380.444 3.172 0 1 GGAF COc1ccc(-c2cc3c(OC)cc(OC)cc3n(CCC(=O)O)c2=O)cc1 26574471 LACPXHZMMOTXCR-UHFFFAOYSA-N 383.400 3.169 0 1 GGAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5n[nH]c(S(C)(=O)=O)c5C[C@@]43C)[C@@H]1CC[C@@H]2O 26186637 ZDVQIHHSZCHGCK-GYZFGELFSA-N 392.565 3.132 0 1 GGAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](Oc3cccc(C)n3)CC[C@H]2C)c1 118557918 PROIOQNXYLRCTR-QZTJIDSGSA-N 391.475 3.351 0 1 GGAF COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(N2CCNCC2)n1C 36175368 BJPAAUARTYANJL-UHFFFAOYSA-N 394.450 3.089 0 1 GGAF COc1ccc2c(c1)[C@H](c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2 42887922 VKEVCDAWEJLKMA-SFHVURJKSA-N 383.400 3.089 0 1 GGAF CCO[C@@H]1C[C@@H](C(C)C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40834131 HCDYETISSKXKAT-GOEBONIOSA-N 380.876 3.337 0 1 GGAF 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391.773 3.126 0 1 GGAF Cc1nc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)cs1 1772581006 AQQPGHOWHOWNCH-CQSZACIVSA-N 396.520 3.229 0 1 GGAF CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(Sc4ccccc4)oc23)[C@@H](O)C1 12355061 FRPNTLUZPVREQA-GUYCJALGSA-N 399.468 3.135 0 1 GGAF CCN(CC)S(=O)(=O)c1cccc(-n2cc(O)c(-c3ccccc3)c2N)c1 169690792 YEJZBKCQOQYSMT-UHFFFAOYSA-N 385.489 3.463 0 1 GGAF CN(CCOc1ccc(-c2sc(=O)[nH]c2O)cc1)c1nc2ccccc2o1 169714677 SFSLYNXWDYDOCR-UHFFFAOYSA-N 383.429 3.465 0 1 GGAF CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)NCCO 2483788 CNWYEPSLHOZZBQ-UHFFFAOYSA-N 385.233 3.263 0 1 GGAF CCC=CC[C@H](O)C=CC=CC=CC=C[C@H](O)[C@H](O)CC=CCCC(=O)O 2356342281 OIWTWACQMDFHJG-PCCBWWKXSA-N 376.493 3.461 0 1 GGAF C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4055042 SMLVJMLNNXNRJB-XZOAIXRZSA-N 375.856 3.091 0 1 GGAF CC(=O)c1ccccc1OC[C@@H](O)CN1CCN(c2cccc(C)c2C)CC1 52971708 TYPJRWNHYJEIDH-FQEVSTJZSA-N 382.504 3.068 0 1 GGAF COC1=C(OC)C(O)=C2C3=C4C(=C[C@H](OC)[C@@H]3OC)CCN(C)[C@@H]4CC[C@@H]2C1 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CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cnc(OCC4CC4)nc3)C2)cc1 261118300 JBVZLGXROMZLNJ-YCRPNKLZSA-N 396.491 3.120 0 1 GGAF CC[C@H](C)C(=O)N1CCC(NC(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 299831972 PHLWEHOQIJUBCP-ZDUSSCGKSA-N 386.414 3.281 0 1 GGAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 299881230 NPWYGZDVVJKGJY-UCLAIMLFSA-N 390.842 3.458 0 1 GGAF c1cnc(OC2CCNCC2)c(-c2nc(Cc3cccc4ncccc34)no2)c1 653779557 VVRMXUIJAGHARU-UHFFFAOYSA-N 387.443 3.401 0 1 GGAF CCOC(=O)C(=O)c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587622322 JXNPMUXOVBECHM-UHFFFAOYSA-N 386.152 3.490 0 1 GGAF Cc1nn(CC(=O)c2c(CO)oc3cc(Br)cnc23)cc1Cl 587276275 LCZIOAMGAZNNAU-UHFFFAOYSA-N 384.617 3.124 0 1 GGAF Cc1cc(Cl)cc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c12 587203516 RDMBKFGFPLERMC-HNNXBMFYSA-N 387.823 3.447 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn3c(=O)ccnc23)N1 587790573 IOGFIEXLNBQWGE-DYZYQPBXSA-N 388.240 3.220 0 1 GGAF Cc1c(I)cnn1[C@@H](C)c1nc2cc(Cl)ncc2[nH]1 587182514 QAYWRHREKPBIDB-ZETCQYMHSA-N 387.612 3.330 0 1 GGAF COC(=O)c1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1OC 587174941 SZJHLMBVDWFCQM-FQEVSTJZSA-N 384.363 3.126 0 1 GGAF COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1C 587752432 DTDNILWVOVJOJZ-FVMDXXJSSA-N 381.245 3.337 0 1 GGAF COc1cc2c3c(c1)O[C@@](COc1ccc(C(=O)O)cc1)(C1CC1)[C@@H](C2)C3=O 587439162 KDMALBRJRAGCGH-JTSKRJEESA-N 380.396 3.369 0 1 GGAF COc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cc1OC 587193676 OBOYOLHQGJDATO-UHFFFAOYSA-N 383.448 3.100 0 1 GGAF C[C@@]1(c2scnc2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617249 JKQGQOMOYDKRLB-BFUOFWGJSA-N 383.381 3.424 0 1 GGAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 586951656 TUNUAXMOOLDGNO-UHFFFAOYSA-N 392.384 3.265 0 1 GGAF NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1C[C@H]1CC[C@@H]2N1 1772599950 AJGIZIGHRMYPRB-PWSUYJOCSA-N 376.869 3.494 0 1 GGAF O=c1nc(C(F)(F)F)ccn1C[C@@H]1CN1Cc1cc2ccccc2nc1Cl 169328805 SSSKQXYXMURXBW-OLADXZERSA-N 394.784 3.348 0 1 GGAF N[C@H]1CCCN(c2ccncc2NC(=O)c2csc(-c3ccccc3)n2)C1 169706521 JLGPSJZWENLOLE-HNNXBMFYSA-N 379.489 3.385 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCC4)c3C)C2)cc1 169709362 BMHBSERYJYYFQG-LAUBAEHRSA-N 394.519 3.455 0 1 GGAF O=C(CNCC1(O)CCCCC1)N1CCc2ccccc2[C@@H]1c1ccccc1 201359400 RZHSOGCIFDIEFG-QHCPKHFHSA-N 378.516 3.446 0 1 GGAF c1ccc(C2(c3ccccc3)COC[C@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 1857750519 HTYJHPPHBQRXGX-DHIUTWEWSA-N 379.500 3.456 0 1 GGAF CCOC(=O)N1CCC(c2cc(=O)n3[nH]c(C)c(-c4ccc(F)cc4)c3n2)CC1 104041297 OXPMSNBGJOEGSC-UHFFFAOYSA-N 398.438 3.473 0 3 GGAF O=S(=O)(N[C@H]1[C@@H]2CCCC[C@@]1(C1=NCCN1)CC2)c1ccc(Cl)s1 29128365 OLLQXCBDIMYQRB-DIOULYMOSA-N 387.958 3.021 0 1 GGAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]3O[C@@H](C[C@](C)(O)CCC[C@@]3(C)O)[C@@H]21 2356620681 BLMRZMAUEMLTCH-MLKVWXRKSA-N 382.541 3.450 0 1 GGAF COc1ccc(C(=O)c2cn3c4c(cccc24)OC[C@H]3CN2CCOCC2)cc1 28766122 NRPZTPOZPJNMNT-QGZVFWFLSA-N 392.455 3.147 0 1 GGAF COc1ccc(NC(=O)c2cn(C(=O)/C=C/C(=O)O)c3ccccc23)c(OC)c1 45301165 NJDHJYSKNXFXJU-MDZDMXLPSA-N 394.383 3.192 0 1 GGAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OC[C@H]2CCCN2C)C(C)C)co1 82070339 NZXSVKWJRXBLKP-VQIMIIECSA-N 399.491 3.042 0 1 GGAF COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)c(OC)c1 221950364 BDKMLANGBBFURD-GOSISDBHSA-N 396.226 3.423 0 1 GGAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCc1ccccc1OC 82198591 HVAPQGWQARYBOF-PTTJEMLGSA-N 388.508 3.064 0 1 GGAF CC(=O)OCC(=O)[C@H]1CC[C@]2(O)[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255200423 BNKAAQVNYUWGCV-CTZIAKJASA-N 392.536 3.253 0 1 GGAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)N(C)c1ccccc12 473151507 PMOOEXCVFUCTMX-LZJOCLMNSA-N 383.831 3.246 0 1 GGAF Fc1ccc(OC2CCN(c3nc4cnncc4nc3NC3CC3)CC2)c(F)c1 653667298 KLUXVDOQSPTUAT-UHFFFAOYSA-N 398.417 3.320 0 1 GGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 587230102 FISUEEIFAAPCKR-NEPJUHHUSA-N 385.386 3.498 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(N)=O)N1 587749056 MSXSKWWPOVQOFF-MGNBDDOMSA-N 393.256 3.076 0 1 GGAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(O)ccc(N)c41)[C@@H](C2)C3=O 587430692 AYUAYVXXCQSEDA-IZHWHUGBSA-N 399.402 3.219 0 1 GGAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3SCCc4sccc43)[nH]c12 587036621 HREKBIQJBVYNSI-HNNXBMFYSA-N 379.532 3.253 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3c(c2)ncn3C)N1 587758548 QOJSMVTZQLLKDU-XXFAHNHDSA-N 375.245 3.494 0 1 GGAF COCCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587584891 BMZCOESODVOZPB-RXVVDRJESA-N 378.384 3.074 0 1 GGAF CCOC(=O)C(=O)[C@@H]1CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587799904 UUFHHWHSPKVPMX-MYFIVHGGSA-N 398.272 3.250 0 1 GGAF CCOC(=O)[C@]1(c2c[nH]c3ccc(OC)cc23)CC(=O)c2cc(C)cc(N)c2O1 587397053 RHJACGAXGNRHAL-JOCHJYFZSA-N 394.427 3.491 0 1 GGAF COc1cc(Br)c2c(c1)NC(=O)[C@]21NCCc2cc(C)c(F)cc21 962303094 UNPBJQSJCCXFQK-GOSISDBHSA-N 391.240 3.247 0 1 GGAF Cc1coc(C(=O)N2CCCn3nc(C(=O)Nc4ccccc4)cc3C2)c1C 1772650693 BCBVFNWTGIHJKZ-UHFFFAOYSA-N 378.432 3.391 0 1 GGAF CNc1ccc2c(S(=O)(=O)N3CCc4c(Cl)cccc43)ccc(O)c2n1 1772576563 GMEUWNSNPBUDHO-UHFFFAOYSA-N 389.864 3.387 0 1 GGAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc([C@@H](O)C3CC3)c12 1772607950 UHEWEIPEPMGQJW-ZMZPIMSZSA-N 381.436 3.293 0 1 GGAF COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)c(N(C)C)c3Cl)nc2c1 11687597 CDLLZGWUOBVDER-RUZDIDTESA-N 378.885 3.302 0 1 GGAF NC(=O)C1=CN(Cc2ccccc2)C=C(C(N)=O)C1c1cc2ccccc2s1 1857558747 WALQVMWSYQNBNM-UHFFFAOYSA-N 389.480 3.239 0 1 GGAF O=C(NC[C@H]1CCCO1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2 3040626 IEHQKTCNOXRHBU-QGZVFWFLSA-N 382.485 3.234 0 3 GGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCC(C)(C)CO)c1 4052636 YGGIDOCKCSWIFV-CTNGQTDRSA-N 396.487 3.312 0 1 GGAF CC(=O)OC[C@H](O)[C@](O)(CO)[C@@H]1C[C@@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)C1 2356390570 HDYYOZGCKVOQKY-PULAGJIDSA-N 396.568 3.293 0 1 GGAF COC(OC)[C@@H]1[C@H](C)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]21 2356392119 PRDPORMIEUKBDK-LAKGBWAGSA-N 382.460 3.151 0 1 GGAF COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(NN)n2)ccc1O 103286997 ZYUOJHPYJDHEIW-FCXRPNKRSA-N 394.431 3.070 0 1 GGAF COc1cc(C(=O)N2CCC(n3c(=O)n(C)c4ccccc43)CC2)ccc1C 28955448 PRSSCOJIOUDGIF-UHFFFAOYSA-N 379.460 3.134 0 1 GGAF COc1ccc(C[C@@H]2COC(=O)[C@@H]2Cc2ccc3c(c2)OCCO3)cc1OC 2356301257 SKEGIGMSBPKQTB-IAGOWNOFSA-N 384.428 3.049 0 1 GGAF CCNC(=O)Nc1nc2cc(-c3cncc(F)c3)c(=O)n(C(C)C)c2s1 103263654 UOTOVOLUGUVSRN-UHFFFAOYSA-N 375.429 3.381 0 1 GGAF CC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)C2 117440564 BJMKYJZZEBEMKH-UHFFFAOYSA-N 391.475 3.392 0 1 GGAF in-vitro O=C(Nc1cc2cccnc2cc1O[C@H]1CCNC1)c1csc2cncnc12 113651645 MIBVQCHAWFLTRA-ZDUSSCGKSA-N 391.456 3.233 0 1 GGAF COC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@@H](C)CNC4=O)cc1 28902170 LRJVJJSTZLCGCH-NSHDSACASA-N 377.400 3.054 0 1 GGAF O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccc2ccccc2c1O 28521774 SKUCKWPHDLFFTL-FGZHOGPDSA-N 387.483 3.376 0 1 GGAF CCC=CC[C@@H]1[C@H](O)CC[C@@H]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 2356682582 NWLLUBUSXVWCKJ-WUHBCXKYSA-N 398.503 3.413 0 1 GGAF CNc1ccc(/C=C/c2cnc(OCCO)c(I)c2)cc1 28643529 WFNZNUJABVVFBV-NSCUHMNNSA-N 396.228 3.269 0 1 GGAF C[S@@](=O)c1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O 36161212 WLMOSNVAIZRWBL-NDEPHWFRSA-N 390.420 3.315 0 1 GGAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCC(F)(F)CC2)cc1F 216200527 FAWKCADRPAQJRO-UHFFFAOYSA-N 399.818 3.373 0 1 GGAF COc1cc([C@H]2SCC(=O)Nc3ccc4[nH]ncc4c32)cc(OC)c1OC 73223080 WPPJNTZSZZPLKO-LJQANCHMSA-N 385.445 3.363 0 1 GGAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N(C)C)c2n1 224106367 GONPDSQILJJULJ-UHFFFAOYSA-N 375.436 3.244 0 1 GGAF O=C(O)/C=C(/C(=O)O)N1CCN2C[C@H](c3ccc(Cl)cc3)c3ccccc3[C@@H]21 84394968 KXABUJUPZGFFHI-MSVGUMBMSA-N 398.846 3.155 0 1 GGAF Cc1cccc(C)c1CNc1cc(-n2ncnc2CO)cn2c(C)c(C)nc12 40953111 YMEJDVRSUORBRI-UHFFFAOYSA-N 376.464 3.253 0 1 GGAF Nn1c(CS(=O)(=O)Cc2ccc(Cl)cc2)nnc1-c1ccccc1Cl 40899104 TYEHWZAGLAPIPL-UHFFFAOYSA-N 397.287 3.081 0 1 GGAF CC(C)CC(CC(C)C)C(=O)OC[C@@]1(CO)C/C(=C\c2ccccn2)C(=O)O1 40421209 REQFZZLUXMZZNX-VLBBBODESA-N 389.492 3.395 0 1 GGAF CC[C@H]1CN(S(=O)(=O)c2ccccc2)CC[C@@H]1CC(=O)Nc1nccs1 25427791 VUMJAFYTKARSDT-LSDHHAIUSA-N 393.534 3.209 0 1 GGAF biogenic Cc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)cc1-c1cnc2cccnn12 96177971 RBKSVWDPSJPWNC-MLGOLLRUSA-N 391.447 3.011 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2ccn(C)n2)N1 587761636 BMFHPPAMBWLSGN-MWSHKUMGSA-N 393.304 3.175 0 1 GGAF COc1cc(Br)c([C@@H](N)c2nc3ccc(Cl)nc3[nH]2)cc1OC 586974600 FFTIWFCIGIJDDP-CYBMUJFWSA-N 397.660 3.439 0 1 GGAF COC(=O)C(=O)c1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623450 HNWNCHHUYJKHTE-UHFFFAOYSA-N 399.204 3.224 0 1 GGAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 586964083 ULWGALQALAZJGG-LBPRGKRZSA-N 388.449 3.406 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(F)c(N)c(F)c3)[nH]c2c1 587134719 LEDOMBILYYRJHX-UHFFFAOYSA-N 380.420 3.121 0 1 GGAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)cc1 587785134 MCBHAXGYVLPTOP-MSOLQXFVSA-N 379.460 3.447 0 1 GGAF COc1cc(Br)cc(C=O)c1OCc1nc2ccc(O)cc2[nH]1 586980314 OWZLWBRGSGPSEQ-UHFFFAOYSA-N 377.194 3.431 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2cnn(C)c2)N1 587763986 NUUDLQCEVGSLBV-QGHHPUGFSA-N 380.261 3.344 0 1 GGAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@]3(CCCC[C@@H]3CCCO)N12 962672602 UJEPFDPWKVIMBX-MQNAVGNWSA-N 382.504 3.491 0 1 GGAF CCOC(=O)C[C@]1(c2ccncc2)c2cc(OC)ccc2CCN1CCCOC 961327196 UGCXXOBIPFPYCT-QHCPKHFHSA-N 398.503 3.182 0 1 GGAF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]2[C@@H](O[N+](=O)[O-])C[C@]2(C)[C@@H](O)CC[C@H]12 5712381 UPINFWLBXPICIJ-XSEPRYCASA-N 375.421 3.016 0 1 GGAF Cc1nn(C)c(Cl)c1CN1CCC(CO)(CCOc2ccccc2)CC1 11662315 UVGWGUPALGKDCM-UHFFFAOYSA-N 377.916 3.426 0 3 GGAF Cc1cc(C)n(CCNC(=O)c2cc(COc3ccc4ncccc4c3)on2)n1 13636730 HPVPUTHVFQGRTQ-UHFFFAOYSA-N 391.431 3.045 0 3 GGAF CCCn1c(=O)c2[nH]c([C@H](C)Cc3ccc(OC)cc3)nc2n(CCC)c1=O 13861082 XXCDUJHWRBDDPB-CQSZACIVSA-N 384.480 3.061 0 1 GGAF COc1ccc([C@@H]2SCC(=O)N2NC(=O)[C@@H](C)Oc2ccccc2C)cc1 1863318 HUCRQKDYSDEQSW-VLIAUNLRSA-N 386.473 3.076 0 1 GGAF Cc1cc(N2CCN(c3ncccn3)CC2)nc2ccc(NC(=O)C3CC3)cc12 3650089 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399.472 3.266 0 1 GGAF O=C(O)c1ccoc1[C@@H]1N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963180622 MBPRIFJNVSWETI-VXGBXAGGSA-N 389.713 3.338 0 1 GGAF Cc1ccc(-c2noc([C@H]3C[C@H](N)C3)n2)cc1NC(=O)c1cnc2ccccn12 1772586877 DQBZLRRBDNJYLN-SHTZXODSSA-N 388.431 3.150 0 1 GGAF C(=C1CCN(c2ccc(C3=NCCN3)cc2)CC1)c1ccc(C2=NCCN2)cc1 5933241 HETAAPXFBANRNV-UHFFFAOYSA-N 385.515 3.070 0 1 GGAF COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1O[C@H](C)CN(C)C 169302962 CGXVRWWJKUNAIX-CQSZACIVSA-N 375.469 3.066 0 1 GGAF CCNC(=O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1 169337579 CIASMOBYUNYQDS-UHFFFAOYSA-N 387.568 3.290 0 1 GGAF CCCOc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1 1857616767 FUTPGPHLZOCEOI-UHFFFAOYSA-N 380.554 3.360 0 1 GGAF CCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NC1CCCCC1 1857744501 WVNMCWQJUJCKNS-UHFFFAOYSA-N 387.933 3.262 0 1 GGAF CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCO)cc1 4039755 VBAFNRBKJAHJQU-IFMALSPDSA-N 395.503 3.076 0 1 GGAF Cn1cc(F)cc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c1=O 117437982 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398.507 3.286 0 1 GGAF CCCCOC(=O)Nc1ccc([C@H](O)CN2CCN(c3ccncc3)CC2)cc1 1857635843 JGOQMKBVPWSFJO-OAQYLSRUSA-N 398.507 3.286 0 1 GGAF CCCCNC(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3ccc(CC)cc3)c21 6916285 ZUHQIRKKXKYEEZ-UHFFFAOYSA-N 380.492 3.283 0 1 GGAF Nc1ncnc2c1[C@H]1[C@@H](N3CCCC3)CCCCN1C(=O)N2c1ccccc1 103202495 LDTHFEOZWKFNBF-FUHWJXTLSA-N 378.480 3.322 0 1 GGAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N(CC)CC)[C@H](O)[C@H]2[C@H]1C 2356404412 NDGFAXBERKKHMQ-RNBYGORQSA-N 395.588 3.002 0 1 GGAF CCc1nn(Cc2ccn(C)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12 117892408 YHDAGLLBTBFMNG-UHFFFAOYSA-N 399.458 3.281 0 1 GGAF O=C(CCCC1CCN(S(=O)(=O)CCc2ccccc2)CC1)c1ncco1 29126135 IGWNUCFVHVJGLS-UHFFFAOYSA-N 390.505 3.312 0 1 GGAF COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC(C)C)nnc23)c1 71294548 MVMSIAOIXGSGIK-UHFFFAOYSA-N 384.411 3.174 0 1 GGAF COc1cc(C)cc([C@@]2(OC)O[C@H](OC)c3c(OC)cc(O)cc32)c1OC 13431301 SVPSBZJHNOEBRN-PMACEKPBSA-N 376.405 3.249 0 1 GGAF biogenic O=C(Nc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]c2c(Cl)cccc12 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NS(=O)(=O)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 587247937 YTBQBXDIVOQJPM-UHFFFAOYSA-N 392.440 3.130 0 1 GGAF CCOC(=O)[C@]1([C@@H]2CCCC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587794804 GRXNWDWPXMHJAZ-GLUANWCPSA-N 398.272 3.250 0 1 GGAF CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c12 587022030 SUNUFRULYMILDL-UHFFFAOYSA-N 399.501 3.016 0 1 GGAF COc1cc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cnc1Cl 962972385 UQGYSIOIOFIMMS-QMTHXVAHSA-N 389.185 3.364 0 1 GGAF CCCc1n[nH]cc1[C@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963154299 WTOIRRPMMPNLSS-KBPBESRZSA-N 392.481 3.155 0 1 GGAF Cc1c(O)ccc2c1[C@@](c1ccccc1)([C@H](N)c1ccccc1)N[C@H](C(=O)O)C2 963493060 VBBQXMVPXMWDCF-KWOQKUFVSA-N 388.467 3.243 0 1 GGAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N(C)C)n3)C2)cc1 1772607293 RJUFELQFSIIYTN-QFBILLFUSA-N 382.508 3.045 0 1 GGAF CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O[C@@H]1CCCCO1 5857760 XMUNEJRPCVXODW-NSISKUIASA-N 388.416 3.480 0 1 GGAF O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@@H](O)Cc1ccccc1 13679959 UKYQQDBFPUUGLN-QHCPKHFHSA-N 392.543 3.076 0 1 GGAF COC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1[C@@]21N=C(N)N(C)C1=O 169700415 RYMHRRJVTCOMJD-CKRJSAQMSA-N 383.536 3.389 0 1 GGAF COc1ccccc1N1CCN(CCCNC(=O)c2ccc3[nH]ccc3c2)CC1 205657667 YMVCKDVKXIOJRK-UHFFFAOYSA-N 392.503 3.119 0 1 GGAF COc1cc(CN(CCCCCO)Cc2ccc(O)c(OC)c2)ccc1O 1857654165 COSZFYYOQGWVLY-UHFFFAOYSA-N 375.465 3.280 0 1 GGAF CCO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)[C@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@@]23C)CO1 2356427798 NFKPHRRRKACNJA-ZYDBLGDKSA-N 380.525 3.470 0 1 GGAF Cc1noc(C)c1Cn1cc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cn1 116767304 FABGINNTCGFROF-UHFFFAOYSA-N 388.811 3.213 0 1 GGAF CCc1c(CC2=CC=C[C@@H]3C=CC=C[C@H]23)n(COCC=C(C)C)c(=O)[nH]c1=O 27644689 BKGNZAYCUCPFDD-PXNSSMCTSA-N 380.488 3.436 0 1 GGAF CC(=O)c1ccc(CC(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)s2)cc1 72124284 XBIPSKAVULMGAS-UHFFFAOYSA-N 395.440 3.360 0 1 GGAF COc1cccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(C(F)(F)F)cc2)c1 45303236 JKMUYZIVEFPNSR-ZWKOTPCHSA-N 378.394 3.333 0 1 GGAF CC(C)N(Cc1ccccc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40918756 WNXCTRPTVDZMCG-NRFANRHFSA-N 386.446 3.355 0 1 GGAF Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCOCC3)cc2F)cn1 224801721 UYLDIHWDDYETNR-UHFFFAOYSA-N 378.407 3.004 0 1 GGAF Oc1ccc(-c2ccc3sc4c(O)nc(CN5CC[C@H](O)C5)nc4c3c2)cc1 45314712 UPKYTOHUEMELIK-HNNXBMFYSA-N 393.468 3.489 0 1 GGAF CCOc1cccc(-c2ccc3c(c2)[C@]2(CC(C)(C)O3)N=C(N)N(C)C2=O)c1 95601570 YXCUYUJWKOPTTE-QFIPXVFZSA-N 379.460 3.295 0 1 GGAF CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nc(C)cc4occc34)CC2)CC1 261157514 QGKIQQCQAJMJNK-WGSAOQKQSA-N 384.524 3.343 0 1 GGAF C[C@@H](Oc1cc(-c2cc(N3CCC3)nc(C3CC3)n2)cnc1N)c1ccn(C)n1 653676026 MZJBFIVZVMPMRG-CYBMUJFWSA-N 391.479 3.082 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(Br)cnn1C 587869839 SWSVCXFTCVHZQE-UHFFFAOYSA-N 393.216 3.272 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ncc(I)s1)[C@@H](C2)C3=O 587427488 IRHSUFJITVFPFL-SDBXPKJASA-N 399.209 3.245 0 1 GGAF Cc1nc(Br)sc1-c1nc2nc(Br)c[nH]c-2n1 587011946 TUSODBOSZJOJEB-UHFFFAOYSA-N 375.049 3.261 0 1 GGAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586944964 UOKHBJIZCCCAJQ-UHFFFAOYSA-N 391.346 3.338 0 1 GGAF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cnncc3[nH]2)ccc1Cl 586962764 AHGCWCAZYDCUCJ-UHFFFAOYSA-N 399.867 3.138 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3COC[C@@H](C1)N3C(=O)OC(C)(C)C)O2 587399675 MTNCETWXTQDOGS-JORQVXCQSA-N 388.464 3.080 0 1 GGAF O=C(Nc1ccc(F)cn1)c1cc(Oc2cncc(Cl)c2)cn2ncnc12 1772657308 HYZNKIXBJUWQKR-UHFFFAOYSA-N 384.758 3.356 0 1 GGAF Cc1ccc2ncn(-c3cc(Nc4ccc(OCCN(C)C)cn4)ncn3)c2c1 1772589665 HRGRQFYTVDLKEE-UHFFFAOYSA-N 389.463 3.203 0 1 GGAF C[C@@H](NC(=O)c1cc(O)nc(N(C)C)n1)c1ccc(SC(F)(F)F)cc1 1772577965 HIXHPTMNHXGXPS-SECBINFHSA-N 386.399 3.351 0 1 GGAF COC(=O)CCCCCS[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)C1CCCCC1 5996942 QNKCYDKEIICCMC-OSFJIQPLSA-N 398.565 3.269 0 1 GGAF investigational COCCc1nc2ccc(C(=O)N3CCC[C@H](OCc4cccnc4)C3)cc2o1 12318878 UJZHOUQZUPYDDD-SFHVURJKSA-N 395.459 3.233 0 1 GGAF COc1ccccc1-c1cccn([C@@H](CN2CC[C@@H](O)C2)c2ccccc2)c1=O 13488461 MGVFKHIJORWPIN-KNQAVFIVSA-N 390.483 3.180 0 1 GGAF O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1 169721993 VPEGQUHJOCURBA-FSDCSDTHSA-N 380.444 3.063 0 1 GGAF CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(C)c1=O 205286216 HNTRJFZPDXLBON-UHFFFAOYSA-N 393.871 3.019 0 1 GGAF Cc1ccc(-n2cc(COc3ccc(/C=C4\SC(=O)NC4=O)cc3)nn2)cc1 1857551694 RVGGAZXHUJQQLD-ZDLGFXPLSA-N 392.440 3.479 0 1 GGAF CCOCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1[C@H](CC)C2 1857654309 XGWFPENIFDMFQH-CQSZACIVSA-N 387.432 3.145 0 1 GGAF CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@H]2Nc2cccnc2)CC1 4914775 IWFYNEKIIFBBSX-IBGZPJMESA-N 380.448 3.269 0 3 GGAF CCOCCCNC(=S)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1 4969819 ADFKBYCKZCSUQJ-UHFFFAOYSA-N 388.537 3.093 0 3 GGAF O=S1(=O)C[C@H](c2ccc(Cl)cc2)N(CO)[C@H](c2ccc(Cl)cc2)C1 103277466 XZIFWIMECSMWOG-CALCHBBNSA-N 386.300 3.456 0 1 GGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccccn4)C[C@H]3C2)n1 116825071 IBTOYHUCRVSPJX-KDURUIRLSA-N 399.498 3.364 0 1 GGAF CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Br)c1OC 27759824 IPPNEMDTPYLJSE-VIFPVBQESA-N 391.693 3.031 0 1 GGAF Cc1cc(-c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)cc(C)n1 26187845 YJINZFVAHKCYIW-UHFFFAOYSA-N 378.413 3.219 0 1 GGAF CCO[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@]3(C(=O)OC)CCC=C1[C@@H]23 2356451254 YIBYVYRFGKDEDX-LSWJPFSZSA-N 380.488 3.334 0 1 GGAF CN(C)[C]1C=CC(c2noc([C@H]3CCCN3CCCc3ccccc3)n2)=CN1 2356859677 ICHRMQOZQHTRLX-LJQANCHMSA-N 378.500 3.391 0 1 GGAF NCCNc1nccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 212154448 HJAUOCWKYXHPGK-UHFFFAOYSA-N 395.442 3.085 0 1 GGAF Cc1ccccc1NC(=O)CN1CCCN(Cc2nc3ccccc3[nH]2)CC1 49089016 MOPBYBVTNKOVSH-UHFFFAOYSA-N 377.492 3.018 0 1 GGAF O=C(NCCS(=O)(=O)Cc1cccc(O)c1)c1c(Cl)cccc1Cl 49808547 MYRVRNMMTJJGSJ-UHFFFAOYSA-N 388.272 3.044 0 1 GGAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN[C@@H]2CCC[C@H](N3CCCC3)[C@H]21 144397977 LWDJYEJRZVMWMH-HBFSDRIKSA-N 396.362 3.353 0 1 GGAF C[C@@]1(CO)Cc2nnc(C3(c4ccc(-c5cccnc5)cc4)CC3)n2CCS1 148299753 RCJRSUJOPLWBPI-NRFANRHFSA-N 392.528 3.460 0 1 GGAF C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccccc4)nc32)c1 96933693 CMZKQVFPFYPHOD-UHFFFAOYSA-N 384.399 3.044 0 1 GGAF COc1cc2nc(N(C)C)nc(NCCCCCN3CCCC3)c2cc1OC 299827441 JKAMVHUUSBPBLZ-UHFFFAOYSA-N 387.528 3.391 0 1 GGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C)cc(F)c2[nH]1 586964919 OKORLBIBSQWFGQ-UHFFFAOYSA-N 385.472 3.467 0 1 GGAF CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)c1ccc2c(O)nc(O)nc2n1 587559983 RVXGKKHYKBKIHF-MRXNPFEDSA-N 381.432 3.449 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2c1 587136269 FJECPWZGGAJECQ-UHFFFAOYSA-N 398.410 3.260 0 1 GGAF FC(F)(F)c1ncc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)nc-2[nH]1 587120331 YQFVTTNHNWFTGX-UHFFFAOYSA-N 390.291 3.466 0 1 GGAF COc1cc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2cc1OC 587039114 PULQAMLWHBLZPF-UHFFFAOYSA-N 377.426 3.446 0 1 GGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cccc(Br)c2[nH]1 587230120 FLPYDIDKYAXSRB-NEPJUHHUSA-N 380.286 3.362 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCC(=O)CNC(=O)OC(C)(C)C)O2 587385234 CHJSZSSRFNECMK-AWEZNQCLSA-N 376.453 3.175 0 1 GGAF CC(C)NCc1cccnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 5962956 WNODNVZMJPOIQH-UHFFFAOYSA-N 377.492 3.023 0 1 GGAF COc1cccc(CN2C[C@H](C(=O)NCc3ccc(Cl)s3)CCC2=O)c1 11843541 YXFVHIHNWFHIHR-CQSZACIVSA-N 392.908 3.465 0 3 GGAF CC(C)[C@H](CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1 13819475 TUSYHQBFGFIWOG-INIZCTEOSA-N 384.484 3.154 0 1 GGAF CCCc1cc(CN(C)C(=O)c2cc(COc3cccc(C(C)=O)c3)on2)n[nH]1 15936404 YJVPKEOVLIVKCM-UHFFFAOYSA-N 396.447 3.404 0 3 GGAF Cc1cc(Nc2nccc(-c3ncn(C)c3C)n2)cc2cc(C(=O)N(C)C)[nH]c12 205649990 OMHOXNDBSJMGSC-UHFFFAOYSA-N 389.463 3.421 0 1 GGAF Cc1nccnc1N(C(=O)N1CCC(c2ccccc2)CC1)[C@@H]1CCCNC1 1857568737 UQVPGVALXWIBAG-HXUWFJFHSA-N 379.508 3.343 0 1 GGAF Cc1cc(Cl)nnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12 592398 WTGLGALNVFXVHG-UHFFFAOYSA-N 376.869 3.458 0 1 GGAF CC(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc1 4919698 PDBDMQSQDHUURG-KRWDZBQOSA-N 387.505 3.244 0 3 GGAF COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Cc5ccncc5)C[C@@H]3N4)cc2)c1 100107587 HNVPMDBINPMNDO-FVRPBGSPSA-N 399.494 3.266 0 1 GGAF O=C1O[C@@H]2CCC[C@@H]2N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 116184093 PSKPIIASZGHOLS-JKSUJKDBSA-N 387.403 3.059 0 1 GGAF C[C@H](O)[C@H]1[C@H](OCCO)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 28815782 VQNQELMSYWNTDC-KRLXJUIESA-N 378.553 3.295 0 1 GGAF O=C(C(=O)N1CCCC[C@@H]1C(=O)NCCCc1ccccc1)C1CCCCC1 26947488 BJOFGKRNOGKOBE-HXUWFJFHSA-N 384.520 3.266 0 1 GGAF CCCc1c(OCc2ccc(-c3nnn[nH]3)cc2OC)ccc(C(C)=O)c1O 27902472 RJJCOYBJTHKMLY-UHFFFAOYSA-N 382.420 3.315 0 1 GGAF COc1cccc2nc(C[C@@H]3CN(C(=O)C(C)(C)C)CC[C@@H]3CC(=O)O)[nH]c12 2356753416 UZAHQUZPZDLPFH-ZIAGYGMSSA-N 387.480 3.100 0 1 GGAF Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCCCCC2)cc1 1650343 QXSSXKUBUFTBPN-UHFFFAOYSA-N 397.504 3.393 0 1 GGAF biogenic CC(=O)N1CCCC[C@H]1C(=O)N1CC[C@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C 218978263 YEIYTNALFFTPHD-JXHRLWIKSA-N 384.520 3.234 0 1 GGAF Cc1cccc(C)c1CNc1cc(-c2c[nH]c(=O)[nH]c2=O)cn2c(C)c(C)nc12 40974832 QSPSYONCWQHOSB-UHFFFAOYSA-N 389.459 3.224 0 1 GGAF COc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc(N)n1 224560303 DSBQMDVJRHXVQD-UHFFFAOYSA-N 382.399 3.306 0 1 GGAF O=C(CN1CCCN(Cc2nc3ccccc3[nH]2)CC1)Nc1cccc(Cl)c1 49088899 UBWCHSOMKDPSCE-UHFFFAOYSA-N 397.910 3.363 0 1 GGAF Cc1cccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(-c3ccco3)nn4C)C2)c1 82196125 ACPFRCKWHRLZFP-UHFFFAOYSA-N 388.427 3.029 0 1 GGAF COC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21 49112400 NGVIEKZOTZUIJM-AWEZNQCLSA-N 377.437 3.434 0 1 GGAF O=C(NCc1cccc(OC(F)F)c1)Nc1ccc([C@H]2CNCCO2)cc1F 149888356 QWRFRBFGFHDFNT-QGZVFWFLSA-N 395.381 3.410 0 1 GGAF CC(C)CCNc1ccc(-c2cnc3ccc(N[C@H]4CCN(C)C4)nn23)cn1 96907652 RUDLWCBRULBWIA-KRWDZBQOSA-N 379.512 3.365 0 1 GGAF Cc1ccc2nc(Sc3nnc(N)s3)n(Cc3ccccc3)c(=O)c2c1 299827557 GKIRLRLCYNCTFX-UHFFFAOYSA-N 381.486 3.338 0 1 GGAF CN1CCN(C(=O)Oc2cccc(-c3cc(-c4ccccc4)nc(N)n3)c2)CC1 653774537 MBMNYBUCPCOZEE-UHFFFAOYSA-N 389.459 3.139 0 1 GGAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 586963901 RUBVZPVBEDJKJV-KRWDZBQOSA-N 398.536 3.362 0 1 GGAF CCc1c(C)nc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc1O 587868209 HWJUIFWHCVFESI-UHFFFAOYSA-N 379.342 3.328 0 1 GGAF CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1C(=O)OC)CC5 587211617 HGHMVSVMDRBCIT-MDOVXXIYSA-N 394.471 3.068 0 1 GGAF N=c1[nH]c2c(s1)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617882 LSEQLGUFHHFWRO-FOIQADDNSA-N 380.425 3.455 0 1 GGAF Cc1nn(C)c2nc(C3CC3)cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c12 587652750 IANVMGDDRGAWAM-UHFFFAOYSA-N 393.834 3.206 0 1 GGAF N[C@@H](N=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587119275 ASIVPQQLNVMBCO-INIZCTEOSA-N 378.358 3.429 0 1 GGAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C(=O)OCC)cc2[nH]1)C(C)C 586932362 CZGRWWICYNESIA-MRXNPFEDSA-N 381.498 3.156 0 1 GGAF COC(=O)c1ccccc1[C@@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730214 MJYZLOUSGYCVRZ-APWZRJJASA-N 377.362 3.382 0 1 GGAF Cc1cccc(F)c1CN1C[C@H](c2ccc(C(=O)N(C)C)cc2)[C@@H](N(C)C)C1 1772583636 ZKYVRYKZNOSMCE-IRLDBZIGSA-N 383.511 3.366 0 1 GGAF COCCC(=O)N(CC(C)C)CC1CCN(Cc2ccccc2OC)CC1 12194673 MDBOBCBYKQPIGC-UHFFFAOYSA-N 376.541 3.428 0 1 GGAF O=S1(=O)CCOC[C@H](Cc2ccccc2)N1Cc1cccc(C(F)(F)F)c1 12478280 LUTZOFUYWLSIJT-SFHVURJKSA-N 399.434 3.479 0 3 GGAF Cc1ccccc1CN1CCN2C(C(=O)Nc3ccccc3)=COC2=NC1=O 205212488 VKWGSPVWXMGTSD-UHFFFAOYSA-N 376.416 3.099 0 3 GGAF Clc1nc(Cl)c2ncn(Cc3cn(-c4ccnc5ccccc45)nn3)c2n1 1857570668 TXBBETYGFKDYHT-UHFFFAOYSA-N 397.229 3.310 0 1 GGAF CC(=O)N1CCc2c(c(-c3cncc4ccccc34)nn2C2CCOCC2)C1 1857645776 NAEZVAXBVFHAKF-UHFFFAOYSA-N 376.460 3.354 0 1 GGAF O=C1N[C@H](C(=O)O)Cc2cccc(c2)OCC=CCOc2ccc1c(Cl)c2 1857742710 KBMXMIHYKVQSHP-SFHVURJKSA-N 387.819 3.093 0 1 GGAF COc1ncc(-c2cc(OC3CCOCC3)c3nc(=N)[nH]c(C)c3c2)cc1F 1857748136 GNKQUZIRLQUKDD-UHFFFAOYSA-N 384.411 3.118 0 1 GGAF Cc1cccc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)C[C@@H]2C)c1 4057179 RHXXNDNFBRJHKP-SFHVURJKSA-N 377.488 3.473 0 3 GGAF C[C@H]1Cc2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2N1C(=O)C1CCC1 6934824 ABOAOLATMYDQNI-CABCVRRESA-N 376.522 3.327 0 3 GGAF Cc1nn(CC(=O)O)c(C)c1Cc1ccccc1S(=O)(=O)c1ccccc1 103237994 KBQKUPWLLXIRSO-UHFFFAOYSA-N 384.457 3.008 0 1 GGAF Cc1ccc2c(=O)n3c(nc2c1)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1-3 61921461 OQIAKKGQNUCBKV-LJQANCHMSA-N 382.423 3.116 0 3 GGAF COc1cccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)c1 28711527 IVJKAHLLTMTXAN-UHFFFAOYSA-N 387.207 3.348 0 1 GGAF CC(=O)c1c(O)c(C(C)C)cc2c(c1=O)[C@@]13CCCC(C)(C)[C@H]1C(=O)[C@H]2OC3=O 2356874906 ZWMNXVIUPFQWFJ-MZKRTTBSSA-N 398.455 3.323 0 1 GGAF COc1ccc2c(c1OC)CN1CCc3cc(OC)c(OC)c4c3[C@H]1[C@@]2(C)CO4 14636301 IHQZGVHNVCMUMQ-GOTSBHOMSA-N 397.471 3.484 0 1 GGAF biogenic CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@H](C)N)nn1 70463207 WGSIQZBFMOSLES-NOZJJQNGSA-N 388.365 3.234 0 1 GGAF O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1ccc(-n2ccnc2)cn1 45228115 ABMBCURIGHSSCW-UHFFFAOYSA-N 387.487 3.473 0 1 GGAF Cc1cccc(C)c1NC(=O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1ccccn1 195437958 YKZLNUQIVRBFHZ-IZBJGVDFSA-N 375.472 3.392 0 1 GGAF CCCN1CCN(c2ccc(S(=O)(=O)Oc3cccc(F)c3)cc2)C1=O 146411417 SZNVNJGEOPBZBC-UHFFFAOYSA-N 378.425 3.245 0 1 GGAF CC(=O)O[C@@]1(C)C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2 95912780 PYWYXDQVIHVOOS-YXJJOUJBSA-N 394.508 3.140 0 1 GGAF biogenic,in-vitro CN1Cc2cccc(c2)CN(Cc2ncc[nH]2)CCCOc2ccccc2C1=O 618017513 LYJCRFKHGVEUNB-UHFFFAOYSA-N 390.487 3.467 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)N(C)C)[nH]2)N1 587788788 ADXKCMRMKBCJOT-ABKXIKBNSA-N 380.261 3.242 0 1 GGAF C[C@H](F)[C@H](N)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587122303 CRGAMZYBZMJJKI-VFZGTOFNSA-N 382.848 3.375 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)([C@@H]1CN(Cc4ccccc4)CCO1)[C@@H](C2)C3=O 587437861 LTHUNJAAZMTLRX-GREBRCKQSA-N 379.456 3.102 0 1 GGAF CCOC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1 587585926 INKCGPSZDCVZBS-UWJYYQICSA-N 395.367 3.434 0 1 GGAF COc1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2c1 586936840 NTRGLKDVLYWOAV-MRXNPFEDSA-N 391.518 3.344 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)CN2CCN(C)CC2)N1 587764964 HUZPHQRPYZRPBT-ACJLOTCBSA-N 398.364 3.437 0 1 GGAF COc1cc(Br)c([C@@H](N)c2nc3cccc(O)c3[nH]2)cc1OC 586974971 HZSZSTWHSADNLA-CQSZACIVSA-N 378.226 3.096 0 1 GGAF Cc1c(-c2nc3c(S)nc(S)nc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074786 YRSHJYDGJJIKGU-UHFFFAOYSA-N 389.897 3.199 0 1 GGAF O=C(NCCc1nc2cncc(Br)c2[nH]1)OCc1ccccc1 587228834 RVRVSSXBXRPXIL-UHFFFAOYSA-N 375.226 3.189 0 1 GGAF Nc1ccnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc12 586961709 SNDAWQDHDVBZDK-JQFCIGGWSA-N 397.504 3.235 0 1 GGAF COC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587119455 CUFNEAKHRICKRD-UHFFFAOYSA-N 378.354 3.492 0 1 GGAF CCOC(=O)Cc1ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2c1 587131731 SIPYRXDPLGRCJN-UHFFFAOYSA-N 380.391 3.287 0 1 GGAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3nc(Br)c[nH]c-3n2)n1 587119230 RLLGQKNUFVVJIY-UHFFFAOYSA-N 387.163 3.208 0 1 GGAF Fc1ccc(-c2cnn(Cc3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)cc1 587165442 VOLCLYZFSSVRJK-UHFFFAOYSA-N 391.450 3.446 0 1 GGAF CCOC(=O)CC[C@@]1(c2ccc(F)cc2)NCCc2ccc(C(=O)N(C)C)cc21 962929759 WYYYQFXZSYDAKH-QHCPKHFHSA-N 398.478 3.260 0 1 GGAF CCOC(=O)CC(=O)[C@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962635527 IGSGEUMZGHVWPY-RDPSFJRHSA-N 392.499 3.171 0 1 GGAF O=C1C[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc(Br)cc1 1080950 NLBXEOXLWWKKIA-CYBMUJFWSA-N 380.263 3.154 0 1 GGAF Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 13472325 FNOVENHZHXUETK-UHFFFAOYSA-N 388.391 3.223 0 1 GGAF CNc1nc(Nc2ccc(S(C)(=O)=O)cc2Cl)ncc1C(F)(F)F 205925876 CFZKTBMXXJUNLF-UHFFFAOYSA-N 380.779 3.338 0 1 GGAF COC(=O)N(CC(=O)O)C(=O)c1cccc2c(C(F)(F)F)c(OC)ccc12 3798404 UHOFKENGYRPPMV-UHFFFAOYSA-N 385.294 3.160 0 1 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NC[C@@H](O)CC 4152387 URGRKJHTNNHKQB-FNHZYXHNSA-N 388.489 3.126 0 1 GGAF Cc1ccc(CNC(=O)CCC(=O)N2C[C@@H]3CCCN3c3ccccc32)cc1 6914719 MJYIXOWIIQXCMS-IBGZPJMESA-N 377.488 3.407 0 1 GGAF O=C1NC(=O)[C@H](Cc2ccc(OCCNc3nc4ccccc4o3)cc2)S1 27312192 REFAUZLADKZTTI-INIZCTEOSA-N 383.429 3.213 0 1 GGAF O=C1N[C@H](c2ccc(Cl)cc2)CN1S(=O)(=O)c1ccc2c(c1)CCC2 26572835 SXXHSIPCPJANMV-KRWDZBQOSA-N 376.865 3.284 0 1 GGAF Cc1cccc(Nc2ncnc3cc(NCCCN4CCN(C)CC4)ncc23)c1 21289286 ZSWVFFAVTCICJD-UHFFFAOYSA-N 391.523 3.126 0 1 GGAF c1cc(CN2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)co1 22939200 AOICDANERLKBGY-UHFFFAOYSA-N 390.491 3.092 0 1 GGAF O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)[C@]1(CCOC1)NCC3 73221471 BWJSQXMXWCOSKA-HXUWFJFHSA-N 387.432 3.166 0 1 GGAF CCCCCCN1C=C2C(=Nc3ccc(F)cc3N=C2N2CCN(C)CC2)N1 39336554 JGMNCJGJBLFTHK-UHFFFAOYSA-N 384.503 3.431 0 1 GGAF COc1ncccc1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1 143098788 SYCVTASSMBJNSD-UHFFFAOYSA-N 386.459 3.346 0 1 GGAF COc1ccccc1N1CCN(Cc2cn(CCCCCCF)nn2)CC1 96286417 UQNPMHBOQOCPSK-UHFFFAOYSA-N 375.492 3.139 0 1 GGAF COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 473233249 GKUDLRHZODTZCB-LHZIYERJSA-N 385.504 3.422 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1cc(F)ccc12 587731890 LYHKQEQXNLJTHZ-NIVTXAMTSA-N 393.231 3.482 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Br)n1)[C@@H](C2)C3=O 587417681 OHWYTPYDSGTPMK-QFYYESIMSA-N 376.206 3.350 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccccc1Br)O2 587375724 FURODHKBRFLJGR-QGZVFWFLSA-N 376.206 3.285 0 1 GGAF O=C1c2ccc(O)cc2OC2(CN(C(=O)C(F)(F)F)C2)[C@H]1c1ccc(F)cc1 587329725 LYHHAJVCLVAQPV-HNNXBMFYSA-N 395.308 3.034 0 1 GGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn(C)c1N 587860144 MPKGDUOUEMJZHL-UHFFFAOYSA-N 380.235 3.260 0 1 GGAF Cn1nc(C(C)(C)C)cc1C(=O)c1c(CO)oc2cc(Br)cnc12 587276940 VAWDMVWCXFCQPM-UHFFFAOYSA-N 392.253 3.345 0 1 GGAF Cc1c(Br)cc2[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc2c1C 586930847 ICYFKOMJRPRNKU-UHFFFAOYSA-N 394.294 3.398 0 1 GGAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cncnc2C(F)(F)F)N1 962974635 KVBQODBRGWSVHK-BXKDBHETSA-N 393.699 3.115 0 1 GGAF Cc1cccnc1C[C@]1(C)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962622142 ACFWZURJTQEEDQ-YJBOKZPZSA-N 380.366 3.345 0 1 GGAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1cn(Cc2ccccc2)nn1 963035445 NDGZRFNSMSFRKO-HSZRJFAPSA-N 385.471 3.292 0 1 GGAF CC(C)c1nn(C)c2c1[C@]1(CC(=O)C[C@H](c3ccc4c(c3)OCO4)C1)NCC2 962916754 FEOXTTCIWWNYFF-NYHFZMIOSA-N 381.476 3.150 0 1 GGAF COc1ccc(OC)c(-c2nnc3n2N=C(c2ccccc2OC)CS3)c1 13828698 YUBXYBHABDSEEI-UHFFFAOYSA-N 382.445 3.329 0 1 GGAF CC[C@H](O)[C@H](CC)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 13975711 DXWFIHMYKMOOAL-HOTGVXAUSA-N 383.500 3.376 0 1 GGAF CCOc1ccc(F)c(CCNC(=S)NN2C=CC(Cl)=CN2)c1Cl 14943529 PYBIHKMJTXCPKB-UHFFFAOYSA-N 391.299 3.214 0 1 GGAF CCOC(=O)[C@H]1C(C)=Nc2ncnn2[C@H]1c1cc(Br)ccc1F 2915652 JFNDRVCCNPPIIJ-STQMWFEESA-N 381.205 3.054 0 1 GGAF CC(=O)N1[C@@H]2CN(CC(F)(F)F)C[C@H]1[C@@H]2c1ccc(Br)cc1 100087983 UGADQBGRJQOXJV-BTTYYORXSA-N 377.204 3.010 0 1 GGAF CC(=O)N1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2CC(F)(F)F 100084444 BPGQIFSFEUARRB-WDNDVIMCSA-N 377.204 3.010 0 1 GGAF O=C(NCCN1CCOCC1)c1cccnc1SCc1ccccc1Cl 20756102 GOFZHUIQPCJIMG-UHFFFAOYSA-N 391.924 3.089 0 3 GGAF CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2cccnc2)CC1 27986878 CFZLDRCDQZJLFB-UHFFFAOYSA-N 395.503 3.075 0 1 GGAF CC(=O)OCc1ccc([S@@](N)(=O)=NC(=O)Nc2ccc(Cl)cc2)cc1 25980300 UVJNHHYWHYFOOS-VWLOTQADSA-N 381.841 3.336 0 1 GGAF CCOCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21 28345897 HGCZKHBKYSHNCZ-UHFFFAOYSA-N 382.251 3.075 0 1 GGAF C[C@@H](O)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1ccccn1 29250265 GARPSDSXXHQDFE-SECBINFHSA-N 377.322 3.248 0 1 GGAF Oc1ccccc1-c1cc(Nc2ccc3[nH]ncc3c2)nc(N2CCOCC2)n1 64559519 PBCLHBUSCFIBRE-UHFFFAOYSA-N 388.431 3.306 0 1 GGAF CCC(CC)NC(=O)c1cnn(C(C)C)c1NS(=O)(=O)c1ccc(C)cc1 73168887 RRTBFOFYBPHDKZ-UHFFFAOYSA-N 392.525 3.492 0 1 GGAF O=C([C@@H]1CCc2c(Cl)cc(NCCc3ccccc3)c(=O)n21)N1CCCC1 40405767 HYAAKSZFMMKDSH-IBGZPJMESA-N 385.895 3.266 0 1 GGAF CNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)c2ccc(C(=O)c3cccs3)cc2)C1 621476450 ZFTCHLMKXOFDDE-RHSMWYFYSA-N 384.501 3.067 0 1 GGAF CCCCC[C@H](C[C@@H](O)CCc1ccc(O)c(OC)c1)SC[C@@H](N)C(=O)O 299853081 FLGFJDUPADXJHD-GVDBMIGSSA-N 399.553 3.178 0 1 GGAF CN(C)C(=O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587085018 MMGRWUQCABREPH-UHFFFAOYSA-N 384.871 3.092 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 587031440 GYACBGHTTSKNFK-UHFFFAOYSA-N 391.518 3.395 0 1 GGAF O=C(CCc1ccccc1)c1nc2ncc(I)cc2[nH]1 587953008 COYTUHAEJCGJKB-UHFFFAOYSA-N 377.185 3.378 0 1 GGAF CC(=O)Nc1cnccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575033 ACWVKNWFKIWFFE-NQIIRXRSSA-N 376.368 3.449 0 1 GGAF CC1(C)Cc2c(sc(NC(=O)c3n[nH]cc3Cl)c2C(N)=O)C(C)(C)O1 1772641993 MONKIBDJQYLVJG-UHFFFAOYSA-N 382.873 3.062 0 1 GGAF CCCNC(=O)c1onc(CSc2ccc(F)cc2)c1C(=O)NCCC 13660840 LGRDILWQOGYQMN-UHFFFAOYSA-N 379.457 3.386 0 3 GGAF COC(=O)/C(=C\c1cc(Br)c(OC)c(Br)c1)OC 205709628 QKUUUDSBCUSSAW-UXBLZVDNSA-N 380.032 3.381 0 1 GGAF O=C(CN1CCC[C@@H](Cc2ccccc2)C1)N[C@H]1CCN(Cc2ccccc2)C1 1857543151 QYWDZTYCVJVNMJ-ZEQRLZLVSA-N 391.559 3.332 0 1 GGAF O=C(c1nc2ccccc2s1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 3949769 OMBSADKPZKSION-OTRWWLKZSA-N 383.517 3.391 0 1 GGAF CCCCc1cc(=O)[nH]c(-c2ccc(CN3CCCN4CCC[C@@H]4C3)cc2)n1 23619972 AAIXXSCJNDPJMO-OAQYLSRUSA-N 380.536 3.450 0 1 GGAF CCOC(=O)COc1ccc(C(=O)c2cc(CN)ccc2O)c(Cl)c1Cl 29341133 VYVPSHMNXAVUJG-UHFFFAOYSA-N 398.242 3.331 0 1 GGAF O=C(O)Cc1ccc2c(c1)C[C@H](CNS(=O)(=O)c1ccc3ccccc3c1)C2 27329303 AUGFRAXHMKPAMH-MRXNPFEDSA-N 395.480 3.160 0 1 GGAF CC(C)Oc1cc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1Cl 66251865 VVLQAOMQALPNET-UHFFFAOYSA-N 395.931 3.491 0 1 GGAF COc1ccc(CN2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)cc1 2137446 QYPPKVGWGPMKII-JOCHJYFZSA-N 375.428 3.412 0 1 GGAF biogenic COc1ccccc1-c1cccn([C@@H](CN2CC[C@H](O)C2)c2ccccc2)c1=O 36190484 MGVFKHIJORWPIN-UGKGYDQZSA-N 390.483 3.180 0 1 GGAF CC/C=C\C[C@H](O)/C=C\C=C\C/C=C/C=C/C=C/[C@H](O)[C@@H](O)CCC(=O)O 34961920 YKPLJNOOLKUEBS-ILHXFTFRSA-N 376.493 3.461 0 1 GGAF COC[C@@H](C)Oc1ccc2[nH]nc(-c3cc(N4C[C@H](C)O[C@H](C)C4)ncn3)c2c1 220971578 IEERBLYMTRWJSD-QLFBSQMISA-N 397.479 3.047 0 1 GGAF CC1(C)Cc2nc(N3CCOc4ccc(-c5ncccn5)cc43)sc2C(=O)N1 40892217 IXHVRQYFTXKBPO-UHFFFAOYSA-N 393.472 3.195 0 1 GGAF CCOC(=O)C1=C(OCC)C(=O)O[C@@H]1c1c(Cl)c2cc(C)ccc2oc1=O 1911581201 KVFFSNCXMBMVEX-OAHLLOKOSA-N 392.791 3.206 0 1 GGAF Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc([C@]3(F)CCCNC3)n2)n1 224884760 RFEQCBHECCTMEH-NRFANRHFSA-N 389.438 3.129 0 1 GGAF Oc1ccc(F)c(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)c1 95568285 QJDGHRPUKVCXFM-UHFFFAOYSA-N 378.451 3.234 0 3 GGAF CCn1ncc2cc(-c3cc(=O)n4ncc(-c5nc(C)cs5)c4[nH]3)ccc21 143024981 LHHSWIWSGODULK-UHFFFAOYSA-N 376.445 3.491 0 1 GGAF C[C@@]1(c2ccccc2)CC(=O)N(CN2CCN(c3ccc(Cl)cc3)CC2)C1=O 96921997 KRHKLCHAQOPRLP-QFIPXVFZSA-N 397.906 3.136 0 1 GGAF O=C1N=c2ccccc2=C1C=C1C=CN(Cc2ccccc2Br)C=C1 377466650 UWHRTIFFOUOZAB-UHFFFAOYSA-N 391.268 3.229 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Oc3cc(O)ccc32)N1 587838455 BNGBMIQKQGHEPN-DYBLOJMWSA-N 392.224 3.381 0 1 GGAF NC(=O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587184450 UBFPBPWKIBKHSZ-DAXSKMNVSA-N 389.196 3.437 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3nnnn3C)c1)CC2=O 587474959 IPFSSPSPIUNJDT-LJQANCHMSA-N 394.431 3.154 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CN4CCOCC4)c1)[C@@H](C2)C3=O 587444868 RIJSIBBFEIOPJJ-MBSDFSHPSA-N 395.455 3.025 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c1ccc(N)c2N 587388639 FXAMXTWGXKKTNC-HSZRJFAPSA-N 385.423 3.195 0 1 GGAF CNC(=O)[C@H]1C[C@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 587234291 DVVVDGJYBDKPOH-CABCVRRESA-N 389.415 3.138 0 1 GGAF Cc1nn(CCO)c(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587753349 AXWRYJSFWVTJOK-HUTHGQBESA-N 382.277 3.017 0 1 GGAF CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4cccc5c4c3CC5)CC[C@@H]2CN1C(=O)OC 587212219 MCWGROCEYZCDRL-ALKREAHSSA-N 394.471 3.383 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CCC(=O)O)c2ccccc21 587484910 HBHHFIWCSOOJKC-QFIPXVFZSA-N 395.411 3.027 0 1 GGAF COc1cccc2cc3c(nc12)[C@](C)(c1ccc2c(c1)NC(=O)[C@H](C)O2)NCC3 963060336 SHFDNBLWKUZLNY-NPMABZOXSA-N 389.455 3.372 0 1 GGAF COC1([C@@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)CCOCC1 963167128 DNJMMKDDLYKXCY-ZIAGYGMSSA-N 393.789 3.194 0 1 GGAF Cc1cccc2c1O[C@@H](CNCCNC(=O)C13CC4CC(CC(C4)C1)C3)CO2 13902917 QKQSDPQVNKEJPX-HJGBXLFDSA-N 384.520 3.057 0 1 GGAF investigational C[C@H](Cc1ccc(OCP(=O)(O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 13907851 MXQILORYEGTCPD-ACJLOTCBSA-N 399.811 3.108 0 1 GGAF COC(=O)Cc1cc2c(cc1[C@H]1[C@H](C)c3ccc4c(c3CN1C)OCO4)OCO2 14930648 QTJGELCKRFLMOF-XUSGNXJCSA-N 397.427 3.150 0 1 GGAF biogenic,in-vitro CC(C)c1ccc(NC(=O)c2cccc(N3CCc4nc(N)ncc4C3)n2)cc1 169710069 GQFVDPKZYKKPAT-UHFFFAOYSA-N 388.475 3.392 0 1 GGAF COc1ccc(C(=O)C[C@@]2(O)C(=O)N(C)c3c(Cl)ccc(Cl)c32)cc1 205723102 GVQHAGOWUURSAR-SFHVURJKSA-N 380.227 3.439 0 1 GGAF COc1cc2nc(COc3ccc(Cl)cc3Cl)n(N)c(=O)c2cc1OC 103177876 DSWMSAHVSFXXAM-UHFFFAOYSA-N 396.230 3.013 0 1 GGAF N=C(N)Nc1cccc(C(=O)Nc2ccc(/C=C/C(=O)O)c(C(F)(F)F)c2)c1 29250803 AVDRZKNBJQDPTE-FNORWQNLSA-N 392.337 3.361 0 1 GGAF C[C@@](O)(c1ccc(Cl)cc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 26006879 JMZJOQIVTXIKOJ-QZTJIDSGSA-N 378.259 3.380 0 1 GGAF CC1=C[C@H](CNC(=O)C2CC2)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1 2356447388 QOXAXCCVMIMNOO-QKNQBKEWSA-N 383.536 3.469 0 1 GGAF O=C(Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccsc1)OC[C@H](O)CO 27075589 MVNYVIZRUVYLIB-CQSZACIVSA-N 393.848 3.162 0 1 GGAF COc1ccc(CN2CCOc3ccc([C@@](C)(O)CN(C)C)cc3C2)cc1C 11999112 JJFCZQQGKHAVJN-QHCPKHFHSA-N 384.520 3.167 0 1 GGAF biogenic C[C@@]12C[C@@H](O)C[C@@](C)(CO)[C@H]1CC[C@@H]1[C@@H]3C=C[C@](C)([C@H](O)CO)C[C@H]3CC[C@H]12 2356578403 QJZOWGAARKUAKT-HHHMXDQVSA-N 392.580 3.134 0 1 GGAF CC(=O)O[C@@H]1C[C@H]2[C@@]3(CC[C@H]4C(C)(C)CCC[C@]42C)[C@H]2[C@@H](OC(=O)[C@H]21)O[C@H]3O 2356642946 ADKDEFXBDGXIFR-JPFAFZFMSA-N 392.492 3.015 0 1 GGAF COc1cc(OC)c(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1OC 14436601 XXRUPCWFCYTCAP-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic C[C@@H](NC(=O)Nc1cc2n[nH]c([C@@H](N)C(F)(F)F)c2cn1)c1ccccc1 219772683 BSNHYYQFUCCNLF-RFAUZJTJSA-N 378.358 3.403 0 1 GGAF O=C(/N=c1/[nH]cc(-c2ccncc2)[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O 45289056 RNIRGRORYKVWBR-UHFFFAOYSA-N 396.410 3.455 0 1 GGAF CCOC(=O)[C@]1(C)CN(C(=O)CN(CC)CC)c2c(C)cc(C)c(C)c2O1 40955964 XSCIRUAGSNJRNQ-NRFANRHFSA-N 376.497 3.001 0 1 GGAF COc1ccccc1NC(=O)CCc1nc(Cc2ccc(NC(C)=O)cc2)no1 40918450 FBODDYVLYZEMAS-UHFFFAOYSA-N 394.431 3.199 0 1 GGAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(OCC2CC2)cc1 221910547 ZCOLCSIPNKKCDE-PMUMKWKESA-N 398.463 3.145 0 1 GGAF COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3c2ccc(OC)c3OC)c1 40901198 VRBBZIAKJJCVDP-QGZVFWFLSA-N 383.400 3.089 0 1 GGAF CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12 197591994 MZPRVRJPXGDREY-UHFFFAOYSA-N 380.444 3.298 0 1 GGAF Nc1nn(CC(=O)N2CCCC2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 96934523 SEDAAPGVYJVYIX-UHFFFAOYSA-N 389.381 3.322 0 1 GGAF CCOC(Cn1nc(-c2ccc3ncccc3c2)c2c(N)ncnc21)OCC 653874588 LLWFRRLSCGCXNW-UHFFFAOYSA-N 378.436 3.023 0 1 GGAF COc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cc1F 587024203 QDLBOBXFVPNEAM-UHFFFAOYSA-N 398.423 3.195 0 1 GGAF COc1cc(/C=C/c2nc3c(O)nc(=N)[nH]c3[nH]2)cc(Cl)c1OCC(C)C 587046307 FKFIADPZYVQVFR-SNAWJCMRSA-N 389.843 3.338 0 1 GGAF COC(=O)c1cc2[nH]c(-c3ccc(NC(=O)C(C)(C)C)nc3)nc2cc1OC 587247790 UBXJGVKRXUUJLK-UHFFFAOYSA-N 382.420 3.405 0 1 GGAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586962282 PCXQXQDDKOCMJN-SECBINFHSA-N 393.476 3.325 0 1 GGAF Cc1ccn(CC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)n1 11880041 KPSYTGZFFOHSLF-SFHVURJKSA-N 381.455 3.346 0 3 GGAF C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43CCOS(C)(=O)=O)[C@@H]1CCC2=O 13746638 MBCXWFIZCYINFZ-IDPBPBMLSA-N 392.517 3.354 0 1 GGAF Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCC[C@@H](O)CO)c3)o2)cc1 169353056 SEBIIKWBOVELKW-GOSISDBHSA-N 381.432 3.174 0 1 GGAF O=C(NCCc1ccccc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167562698 CBWNXCRQVQTCKC-UHFFFAOYSA-N 387.483 3.212 0 1 GGAF COc1ccc(CCC(=O)N(c2nccc3c2CC=CC3)[C@@H]2CCCNC2)cc1 1857564733 UCYSKAAZKKWRJO-HXUWFJFHSA-N 391.515 3.463 0 1 GGAF COC(=O)c1cc2cc([C@H]3Nc4ccccc4C(=O)N3C)cc(C)c2oc1=O 1857744870 YOCPGJUGMSXHDZ-SFHVURJKSA-N 378.384 3.084 0 1 GGAF CCCN(C(=O)c1ccccc1)[C@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13 1857746599 FULMCFUMBXIABJ-GJPOJAMWSA-N 380.488 3.160 0 1 GGAF CCN(CC)C(=O)COc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O 1857769674 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CNc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@H]2N3)c1 116589098 GDOBXOFLRCXLNU-KBXCAEBGSA-N 381.501 3.402 0 1 GGAF O=C(CCCC1CCNCC1)/N=c1/[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1 84688704 WSEYSBBMEPSFFS-UHFFFAOYSA-N 390.487 3.324 0 1 GGAF CCn1cc(C(=O)NC)c(=O)c2cc(F)c3[nH]c(-c4ccc(OC)cc4)nc3c21 40422113 XVRMVWSTWPKITE-UHFFFAOYSA-N 394.406 3.072 0 1 GGAF c1cc(CNc2cncc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)ccn1 226069358 ZNMLZZZGJCFUTC-UHFFFAOYSA-N 385.475 3.494 0 1 GGAF C[C@]12Cc3[nH]nc(C(=O)Nc4cnn(Cc5ccccc5)c4)c3C[C@@H]1C2(F)F 143787755 KWTDVQYZRZTJDG-LPHOPBHVSA-N 383.402 3.277 0 1 GGAF COc1cc(S(=O)(=O)c2ccc3[nH]ccc3c2)cc2c3c(oc12)CCNC3 143512540 GBXIKKLWGZSPSB-UHFFFAOYSA-N 382.441 3.401 0 1 GGAF CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 95874435 BBUYQEWTRUJGII-ZLNRFVROSA-N 382.479 3.264 0 1 GGAF Cc1cc(NS(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)no1 473136538 SFSZDLUEEINCTB-UHFFFAOYSA-N 386.433 3.106 0 1 GGAF COC1CN(C(=O)c2ccc3cncc(-c4ccc(-c5cnn(C)c5)cc4)c3n2)C1 653838522 MOIRAYXVFLWFTA-UHFFFAOYSA-N 399.454 3.168 0 1 GGAF CCOC(=O)C[C@@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556898 PKLAAQSDLZXWRQ-DNVCBOLYSA-N 378.327 3.311 0 1 GGAF CNS(=O)(=O)c1ccc(CCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 586947350 WMKIQQPVIJUUER-UHFFFAOYSA-N 399.394 3.155 0 1 GGAF CCc1ccc([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587612441 VUPVOWXCMVKZIE-WMZHIEFXSA-N 392.407 3.122 0 1 GGAF CNC(=O)[C@H]1C[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587234466 GHRHZXIZTUHXCS-RQJHMYQMSA-N 378.148 3.074 0 1 GGAF CCCN=c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 587568303 BIWQRCPNZXDJRF-YLJYHZDGSA-N 377.400 3.129 0 1 GGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(C)nccc2[nH]1 586937648 RKJGVOXDHIPZAO-HNNXBMFYSA-N 376.507 3.039 0 1 GGAF Cc1cc2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc2c(C)n1 586946170 STTPMYOFYRIGQV-UHFFFAOYSA-N 388.474 3.375 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1Cn1c(=O)oc2ccccc21 587587719 OCAKBILEQFFZMJ-RTBURBONSA-N 389.363 3.331 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Br)cc(C)cc21 587373378 UQXOOEVHPWGMGV-GOSISDBHSA-N 387.233 3.461 0 1 GGAF CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H](C)CC(=O)OC)nc2c1 587783398 QQZDXLJWNSWBOM-SECBINFHSA-N 383.242 3.244 0 1 GGAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(O)ncnc3[nH]2)C[C@H]2CCCC[C@@H]21 587027593 SHKKDJCHWODRFH-RDBSUJKOSA-N 383.477 3.195 0 1 GGAF COc1ccc(OC)c(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587386474 JKSLNUPYVZPCIJ-OAQYLSRUSA-N 384.432 3.347 0 1 GGAF COCCCN=c1[nH]c(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 587414282 TUAYQUNYUHCUCA-LJQANCHMSA-N 375.494 3.093 0 1 GGAF Brc1cccc(N2CC[C@]3(C2)NCCc2nc4ccccn4c23)c1 962981952 IKQVMXPZGKYMRT-LJQANCHMSA-N 383.293 3.348 0 1 GGAF O=C(O)CCCC(=O)N1CCc2c(n(Cc3ccccc3)c3ncccc23)C1 218273874 BJILWEHNXLEFBR-UHFFFAOYSA-N 377.444 3.224 0 1 GGAF CCN1c2ncccc2C(=O)Nc2c(CO)cc(-c3cccc(OC)c3)nc21 5842144 ZNKSHDABFQKUJZ-UHFFFAOYSA-N 376.416 3.368 0 1 GGAF CC(C)NC(=O)c1ccc(CN2CCN(c3ccccc3OC(C)C)CC2)n1C 12356293 QFCUDNIUXNPYTD-UHFFFAOYSA-N 398.551 3.273 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCC4)c3F)C2)cc1 169709336 CWCKETQMVMYIOI-HNAYVOBHSA-N 398.482 3.286 0 1 GGAF Clc1ccc2c(NCCNc3ccnc(N4CCOCC4)n3)ccnc2c1 204938271 QWLIYUQOTZZYMY-UHFFFAOYSA-N 384.871 3.039 0 1 GGAF Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H]2ON=C(c3ccccc3)[C@H]2C1 205216618 LHCMXHFHEAOIAS-GOEBONIOSA-N 376.865 3.072 0 3 GGAF Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)n(Cc2cnc(N(C)C)s2)c1 1857549145 CSLRQWLLJOBMPL-UHFFFAOYSA-N 384.461 3.318 0 1 GGAF COc1ccc([C@H]2OC(=O)C[C@H]2C(=O)NCc2ccccc2Cl)cc1OC 3030319 CSVRSLYFTBBXNB-AUUYWEPGSA-N 389.835 3.278 0 3 GGAF O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)Nc1ccc(F)cc1 6739313 RMBNZEJERLFJGK-UHFFFAOYSA-N 388.402 3.160 0 1 GGAF CC[C@@H]1C[C@H]2C[C@H]3C4=Nc5ccc(OC)cc5[C@@]4(O)CCN([C@@H]13)[C@@H]2CC(C)=O 2356394406 BJSOUJIBHFZILQ-WRZAIVEXSA-N 382.504 3.457 0 1 GGAF CC(C)(C)n1cnc2c(NCc3ccccc3)nc(N3CCC[C@H]3CO)nc21 27332432 BQLLSAOJIHBBRL-INIZCTEOSA-N 380.496 3.155 0 1 GGAF CCOC(=O)N1[C@H]2CC[C@H]1CC(N1CCC[C@@H](NC(=O)c3ccccc3)C1)C2 101505627 OHFJWWZZUQRDMV-QYZOEREBSA-N 385.508 3.033 0 1 GGAF COc1ccc(-c2ccc3ncc4[nH]c(=O)n(Cc5ccccc5)c4c3n2)cn1 118553671 MYAWLPADHVWLNU-UHFFFAOYSA-N 383.411 3.392 0 1 GGAF CCN(CC)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 2356509052 AIJGDFIPPIWACF-LNLFQRSKSA-N 397.485 3.487 0 1 GGAF COCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)cs2)CC1 61903218 WVFFGGTZUXFJOX-QGZVFWFLSA-N 386.517 3.420 0 3 GGAF CCOC(=O)Oc1nc2c(Cl)nc(C)nc2n1-c1cccc(N(C)C)c1 82155474 QPARZXSGCFLZSM-UHFFFAOYSA-N 375.816 3.379 0 1 GGAF C[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCc1ccccn1 82084059 MPSYCDXIUUPDET-CQSZACIVSA-N 396.472 3.186 0 1 GGAF COC(=O)C1=C(C)N(C)C(NCc2ccc(OC)cc2)=N[C@H]1c1cccc(F)c1 199424227 OMKMCUIVLANBCF-FQEVSTJZSA-N 397.450 3.414 0 3 GGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](Cc4ccccc4)C[C@@H]4[C@@H](C2)N(C)CC[C@]341 195196388 JKQIXBQTODIBRA-XOLRIQRJSA-N 389.495 3.402 0 1 GGAF N[C@@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@H]1Cc1ccccc1 142543553 JYTFEYCQTQEXGG-FGZHOGPDSA-N 384.545 3.258 0 1 GGAF COCC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12CCOc1ccccc12 142144299 QGQBTWIQMUMLAZ-LJQANCHMSA-N 390.411 3.484 0 1 GGAF C[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCc1ccccn1 82084058 MPSYCDXIUUPDET-AWEZNQCLSA-N 396.472 3.186 0 1 GGAF CCCNC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(C)=O 95895587 ICLDRKSGEYCSHN-FSSWDIPSSA-N 399.535 3.028 0 1 GGAF O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1cccnc1)C1CCCCC1 95871892 CDRISTWLIFNGQJ-DNVJHFABSA-N 393.531 3.107 0 1 GGAF COc1ccc(-c2cc3ncccc3c(NC[C@H]3CC(=O)N[C@@H]3C)n2)cc1OC 141930966 MXWUGGZUEJLZKA-UKRRQHHQSA-N 392.459 3.251 0 1 GGAF COc1ccc(-c2nn(C)c3nc(N)nc(NCc4ccccc4)c23)cc1F 95564452 ZDSDDXMAPQKSTN-UHFFFAOYSA-N 378.411 3.372 0 1 GGAF COc1ccc(S(=O)(=O)n2ccc3cc[nH]/c(=N\c4ccccc4)c32)cc1 96940382 HHDUECZINKKVKP-UHFFFAOYSA-N 379.441 3.447 0 1 GGAF COc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCCC3)cc1 653874544 KEFONRLCIUIPSX-UHFFFAOYSA-N 384.476 3.152 0 1 GGAF CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)n1ncc2ccc(Cl)cc2c1=O 587654706 NHROFBLMPHTIFO-CQSZACIVSA-N 377.828 3.090 0 1 GGAF COC(=O)[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)OC 587526056 RHVHNFGOBXLFPQ-JLDZCNIISA-N 386.444 3.032 0 1 GGAF COC(=O)c1ccnc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc12 587081466 ABBJKACEYCWOPB-UHFFFAOYSA-N 383.795 3.298 0 1 GGAF CCOc1ccccc1[C@](N)(c1nc2ccc([C@H](N)N=O)cc2[nH]1)C(F)(F)F 587093884 ZEOGGKJCKATSCP-WBVHZDCISA-N 393.369 3.450 0 1 GGAF COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587797952 UAJZUAGDTHNCFM-NIVTXAMTSA-N 391.240 3.327 0 1 GGAF Cc1nn(CCO)c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587753522 AXWRYJSFWVTJOK-XYZCENFISA-N 382.277 3.017 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(O)c2C(=O)c2cccc(O)c21 587402959 CZJUCXCBAAHRAG-HSZRJFAPSA-N 387.391 3.442 0 1 GGAF COc1ncc(C)cc1[C@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962668816 OWIQZMDHIFJFBX-XMSQKQJNSA-N 377.444 3.135 0 1 GGAF Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2cc3cccnc3[nH]2)cc1 1772597493 OORNVHIHPJVBPA-UHFFFAOYSA-N 385.427 3.327 0 1 GGAF COCCNC(=O)[C@@H]1CCCN(Cc2nc(-c3cccc(Cl)c3)oc2C)C1 5056238 MREHKERNDNTFMI-MRXNPFEDSA-N 391.899 3.278 0 1 GGAF COc1ccc(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3Cl)C2)o1 12571240 YVOSQZJKSDHPIG-CYBMUJFWSA-N 376.840 3.224 0 3 GGAF CN1CCCN(C(=O)[C@@H]2CC23CCN(Cc2ccccc2Cl)CC3)CC1 14976526 YMBGQQQNWBAPKA-SFHVURJKSA-N 375.944 3.106 0 1 GGAF Cc1nc(C(=O)N[C@H](C)C(=O)NCc2ccco2)cc2c1[nH]c1ccccc12 16033061 QUPJLPVXOCOEJV-CYBMUJFWSA-N 376.416 3.052 0 1 GGAF biogenic CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3)nn2-c2ccccc2)c1 169707035 HBNFJPMMDNAWAE-SFHVURJKSA-N 389.459 3.112 0 1 GGAF CCS(=O)(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)cn2c(C)nnc12 1857544419 BKHBFMSJJHKPHU-UHFFFAOYSA-N 384.383 3.485 0 1 GGAF COc1cccc(-c2cccc(NC(=O)CCc3cccc4c3COB4O)c2)c1 1857611953 ISILVRLBJZBMSC-UHFFFAOYSA-N 387.244 3.151 0 1 GGAF COC(=O)C(=O)Nc1cc(N(C)c2cc(C)nc3ccccc23)ccc1OC 1857748574 NTDHSPNKPGTJRX-UHFFFAOYSA-N 379.416 3.431 0 1 GGAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3cc4ccccc4s3)[C@H](C)[C@H]12 3981636 MARAOMYICBQCLN-HFOBELJZSA-N 375.471 3.147 0 1 GGAF F[C@@H]1CN(Cc2ccc3ccccc3n2)C[C@H]1OCc1nc2cccnc2[nH]1 2356305326 VAJGDHKSULACSO-VQIMIIECSA-N 377.423 3.245 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1cccc([C@@H](C)N3CCOCC3)c1)C2 28343661 WBDGFMXZQCHZPG-IVZQSRNASA-N 397.471 3.283 0 1 GGAF COc1ccc([C@H](N)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1 61930775 CZABFHUEZLCRCL-KRWDZBQOSA-N 389.502 3.347 0 3 GGAF COC(=O)C=C[C@H](C)[C@H](C=CC1=CCC(c2csc(C(C)(C)O)n2)=N1)OC 2356698230 OCOUTWGSFBZLMO-GUYCJALGSA-N 390.505 3.384 0 1 GGAF COc1ccc(-c2ccc3c(n2)N(C2=NC(=O)C(C)(C)S2)CCO3)cc1OC 68203503 QGUMXKVMZZBUEL-UHFFFAOYSA-N 399.472 3.373 0 1 GGAF CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 38394508 QOIILHRNCHFYSL-KRWDZBQOSA-N 393.274 3.338 0 1 GGAF C[C@H]1Nc2ncnc(N3CCc4ccccc4C3)c2N(Cc2ccccc2)C1=O 72136860 BPHNKQADTAHXLN-MRXNPFEDSA-N 385.471 3.387 0 3 GGAF Cc1ccc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)nn1 95565310 OKBXCVJGUCOVQE-UHFFFAOYSA-N 387.846 3.239 0 1 GGAF C=CC(=O)Nc1cccc(CN(C)c2nc(Nc3cnn(C)c3)ncc2Cl)c1 473090883 QCKWQRLAJOOCCB-UHFFFAOYSA-N 397.870 3.368 0 1 GGAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc4c(cc3[nH]2)OCCO4)C(F)(F)C1 587132499 REJOPEGTOXCNOC-SNVBAGLBSA-N 381.379 3.304 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3c(c2)OCCO3)N1 587779747 VPRPKEMETAKINQ-ABKXIKBNSA-N 379.229 3.378 0 1 GGAF Cc1c(Cl)ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c12 586932291 ZTQOZHDEQYFQGB-UHFFFAOYSA-N 379.869 3.354 0 1 GGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc5c(cc4[nH]3)OCO5)cc12 587037574 KIOLQQKKQVBGLG-VIFPVBQESA-N 383.433 3.039 0 1 GGAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)([C@H](C)Oc1cccnc1)[C@@H](C2)C3=O 587428302 JQCSROSLGNMNED-BMOXRUSTSA-N 380.444 3.119 0 1 GGAF COc1cc(OC)c2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 587150247 QXIRMKXGKQXTNB-GFCCVEGCSA-N 387.386 3.374 0 1 GGAF COc1cc2c3c(c1)OC1(C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C1)[C@@H](C2)C3=O 587444213 NVYIIRXYPGPIGY-FMKPAKJESA-N 385.460 3.458 0 1 GGAF CCOC(=O)C(=O)[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587798589 PAZCSZWRXYFVNN-RSNWOKGLSA-N 398.272 3.250 0 1 GGAF COCCN1C(=O)CC[C@H](c2nc3cc[nH]c(=N)c3[nH]2)[C@H]1c1ccccc1Cl 587063375 UKKWEWQVOJVTCV-SCLBCKFNSA-N 399.882 3.118 0 1 GGAF FC(F)(F)Oc1ccc2c(-c3nc4c(S)nc(S)nc4[nH]3)n[nH]c2c1 587127611 ZLOQJODZFFWYHY-UHFFFAOYSA-N 384.368 3.372 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)n3cc(Cl)cn3)[nH]c2c1 587081778 FUMPTSNHJQLXAO-NSHDSACASA-N 381.889 3.053 0 1 GGAF Clc1ncc(-c2nc3c(I)cnc(Cl)c3[nH]2)cn1 587085850 KTIOZXWDASUAJK-UHFFFAOYSA-N 391.987 3.326 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)C(O)O 587548697 QFBYJJFQXPOSKI-UWJYYQICSA-N 398.798 3.213 0 1 GGAF CCOc1ccc(OCC)n1-c1nn(-c2ncccn2)cc1Br 587941136 SCGOWQNEKNLCTN-UHFFFAOYSA-N 378.230 3.013 0 1 GGAF Cn1nnnc1COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587517850 WGBOMLBZEGBLIP-HXUWFJFHSA-N 390.443 3.374 0 1 GGAF COc1cc(N)c(I)cc1-c1nc2c(C)nccc2[nH]1 587178582 GBKHYZGBIFNNQS-UHFFFAOYSA-N 380.189 3.129 0 1 GGAF Cc1[nH]c2c(c1C(=O)O)[C@@]1(CCC2)c2c(Cl)ccc3c2CCN1[C@@H]3C(=O)O 962575797 SGXHFKIIYRYWFI-FXAWDEMLSA-N 386.835 3.252 0 1 GGAF C[C@@H](c1ccccc1)N1CCC(N(C)C(=O)c2cn(C)c(=O)c3[nH]ccc23)CC1 1772585113 YSPRKABKBRUYOT-INIZCTEOSA-N 392.503 3.164 0 1 GGAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NC2CCOCC2)cc1F 1772648313 FWAKXWHXMNSHGM-UHFFFAOYSA-N 391.877 3.327 0 1 GGAF N[C@@H](CCNCc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1 13561230 XMSUGULXHOJTAJ-QFIPXVFZSA-N 381.520 3.085 0 1 GGAF CNc1nc(Nc2ccc(CN3CCOCC3)cc2OCCF)ncc1Cl 205927079 VUSYWQLOGDSXIH-UHFFFAOYSA-N 395.866 3.096 0 1 GGAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(CO)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@H]32)C1 153189718 PEQAFOAATUJIMD-FFIDVGPSSA-N 390.612 3.047 0 1 GGAF O=C1NC(=O)/C(=C/c2ccc(OCc3cn(-c4ccccc4)nn3)cc2)S1 1857541780 RNPWGOXUYNQYBW-YVLHZVERSA-N 378.413 3.170 0 1 GGAF CCCCNC(=O)c1c(NC(=O)c2ccc(OC)cc2)nc2ccc(C)cn12 1857587132 ALLOJEDGXXSWOH-UHFFFAOYSA-N 380.448 3.434 0 1 GGAF CCn1ncc2c1CC[C@@H](N=c1nc3c(-c4ccc(F)cc4)cccn3[nH]1)C2 1857637283 RTJRFGHOFZRTRP-QGZVFWFLSA-N 376.439 3.143 0 1 GGAF CC1(C)C=Cc2c(c(O)cc3c2OC[C@H](c2ccc4c(c2O)OCO4)C3=O)O1 2356333867 XLWRNLNBKQQJIZ-CYBMUJFWSA-N 382.368 3.370 0 1 GGAF COc1ccc(C(=O)Nc2c(C)nn(C(=O)c3ccc(OC)cc3)c2C)cc1 103221175 PJCSVXHHMMITPQ-UHFFFAOYSA-N 379.416 3.458 0 1 GGAF COc1ccc2nc(N[C@@H](C)c3ncc(F)cn3)nc(Nc3cn(C)cn3)c2c1 103260242 SMHWNMNBXBTYPV-NSHDSACASA-N 394.414 3.218 0 1 GGAF Cc1oc(-c2ccco2)nc1CCOc1ccc(C[C@@H]2OC(=O)NC2=O)cc1 29331570 YZZJCKZLQXSEOA-KRWDZBQOSA-N 382.372 3.042 0 1 GGAF COc1ccc2cc([C@H](C)C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)O)ccc2c1 28252955 MEGDTBCQFDZJJN-LHSJRXKWSA-N 393.439 3.470 0 1 GGAF CC(C)Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)cc1 27421420 RFIYMZBXSDZSSF-UHFFFAOYSA-N 375.494 3.356 0 1 GGAF CC(=O)O[C@@H]1C=C(C)C[C@H](O)[C@@H]2[C@](C)(CC=C(CO)C1)CC[C@]2(O)C(C)C 2356424769 UVSDLGIXSNUFRQ-YHINDDMVSA-N 380.525 3.131 0 1 GGAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](C)c4ccoc4C[C@H]3[C@]12C 2356605102 UAUZSKBZFMNDSP-SRMUBNBESA-N 376.493 3.425 0 1 GGAF C[C@]12C[C@H](OC(=O)c3ccccc3)C[C@@H]3C(=O)O[C@H](c4ccoc4)[C@@H](OC1=O)[C@@H]32 2356635694 GTVVKWIWARQEOM-LELUHLQUSA-N 396.395 3.061 0 1 GGAF COCc1cc(O)cc(Cc2cc(O)c(Cc3cc(O)ccc3O)cc2O)c1O 2356783854 MGLYQKWAWMAHEE-UHFFFAOYSA-N 398.411 3.248 0 1 GGAF CC(=O)O[C@H]1C=C2C(=O)OC[C@@]2(O)[C@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 39060152 NZUCJISLTFEIQU-YHOAHWDJSA-N 376.493 3.395 0 1 GGAF C[C@@H](C(N)=O)c1ccccc1CCc1nc(Nc2cncnc2)ncc1Cl 211023174 INJXBWVPVJXXSO-GFCCVEGCSA-N 382.855 3.038 0 1 GGAF C[C@H](O)C(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 40879811 DGZBCKSHKIBZKD-JTQLQIEISA-N 392.242 3.071 0 1 GGAF CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NCc3cccs3)ncnc21 82190475 VZGBSZABTQWRLN-UHFFFAOYSA-N 396.476 3.204 0 1 GGAF O=c1cc(N2CCOCC2)nc(Cc2nc3ccccc3n2C2CCCCC2)[nH]1 84759459 FLQGKGPZQLXFCH-UHFFFAOYSA-N 393.491 3.052 0 1 GGAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)OCC(C)(C)N(C)C)co1 82073454 WBNFOJMSIBEXEE-GOSISDBHSA-N 399.491 3.138 0 1 GGAF Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1F)N(c1cc(C)c(=O)n(C)c1)C2=O 261192687 ZSGFXTRWCMGRPZ-QGZVFWFLSA-N 386.814 3.268 0 1 GGAF COC(=O)c1cccc(NC(=O)Nc2cccc3c2[C@H]2CCCCN2C3=O)n1 653740763 YDXQVABEPJBULM-OAHLLOKOSA-N 380.404 3.193 0 1 GGAF O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3ccccc3)s2)cc1 653887954 DSDNLUBQLDRWIG-UHFFFAOYSA-N 383.429 3.387 0 1 GGAF CCOC(=O)[C@]1(CC(=O)CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587800206 VYAKJQCFLDUBCC-BMLIUANNSA-N 386.261 3.250 0 1 GGAF O=S(=O)(c1ccc2nc(Cc3csc4nccn34)[nH]c2c1)C(F)(F)F 587039327 CVLPAJJAHGENGP-UHFFFAOYSA-N 386.380 3.156 0 1 GGAF CCOC(=O)Cc1ccc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 587217089 TYKLDDXCPOAOEV-IBGZPJMESA-N 379.460 3.397 0 1 GGAF C[C@@]1(c2nc(Cl)cnc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553204 UJOXULVZPRHTCI-IFXJQAMLSA-N 383.791 3.295 0 1 GGAF CCOC(=O)COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587398499 DKMARDLRIWKCFX-SFHVURJKSA-N 385.416 3.234 0 1 GGAF COC(=O)[C@@]1(c2c[nH]c3ccc(OC)cc23)CC(=O)c2cc(C)cc(N)c2O1 587397426 VJMXLMABBNHVHP-NRFANRHFSA-N 380.400 3.101 0 1 GGAF N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(Cl)nc2[nH]1 587183942 LSCRVGKCDYNMHG-JTQLQIEISA-N 398.635 3.458 0 1 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KEECGOVSZVQWAT-UHFFFAOYSA-N 396.443 3.426 0 3 GGAF COCCn1c(=O)c(-c2ccc(F)cc2)nc2cnc(Oc3ccccc3)nc21 4238643 ZVJZZGGUCFGWME-UHFFFAOYSA-N 392.390 3.431 0 1 GGAF NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cc(CCC(=O)O)ccn1 1857754779 KEQSTBYHFUWBLB-UHFFFAOYSA-N 393.321 3.040 0 1 GGAF CC[C@H](C)Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc12 4316015 APCNGAWYYLDWOF-NSHDSACASA-N 387.490 3.382 0 1 GGAF CCN(CC)CCCNc1nc2ccccc2c2nc(-c3ccncc3)nn12 6805473 WDDVXGNECPLUTE-UHFFFAOYSA-N 375.480 3.483 0 3 GGAF Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)n1 101296969 AFFQHADHKVBBKI-SHTZXODSSA-N 389.450 3.282 0 1 GGAF CSc1c(Cl)nc(NCCc2ccccc2)nc1N1CCN(C)CC1 29231486 RUPVCEYRLQHAJT-UHFFFAOYSA-N 377.945 3.258 0 1 GGAF COc1ccc(-c2nc([S@](=O)CC(C)=O)[nH]c2-c2ccc(OC)cc2)cc1 28218276 KEHWOWSWOLFMBF-MHZLTWQESA-N 384.457 3.458 0 1 GGAF CCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 103255066 FGRGPYXAESBTNI-UBFVSLLYSA-N 386.495 3.358 0 1 GGAF COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(Nc5ccccc5)[C@@H](C2)N(C)CC[C@]314 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O=S(=O)(NCCCN1CC[C@@H]2CCCC[C@H]2C1)c1ccc2ncccc2c1 254120901 UFCRUQMUSOIQNF-HKUYNNGSSA-N 387.549 3.415 0 1 GGAF N[C@]1(c2nc3cc(I)cnc3[nH]2)C[C@H]1c1ccccc1F 587158425 XCAFEXDDRYITAG-ZUZCIYMTSA-N 394.191 3.043 0 1 GGAF COC(=O)[C@@H]1CSCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587856597 IXUUNHSFCKNUBC-RBIVETJNSA-N 388.302 3.244 0 1 GGAF N[C@H](Cc1nc2nc(Br)c[nH]c-2n1)c1ccc(Br)cc1 586998062 WYPSONMROQKNNJ-SECBINFHSA-N 397.074 3.072 0 1 GGAF Cc1nn(C)c(N(C)C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587756439 LARBXYDEMSZRAX-JDNHERCYSA-N 381.293 3.320 0 1 GGAF O=C(Nc1ccccc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659257 ZTKQUQJHQSSQFE-UHFFFAOYSA-N 387.370 3.482 0 1 GGAF N=c1[nH]c2c(s1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617235 JIOIIJVHHQRKBB-YWZLYKJASA-N 380.425 3.455 0 1 GGAF COC(=O)c1cc(Br)c2[nH]c(CSC(C)(C)C(=O)O)nc2c1 586959365 NMTWGZSKYGJTIB-UHFFFAOYSA-N 387.255 3.208 0 1 GGAF CCOC(=O)[C@@]1(CC(=O)CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800473 XPEQDRAJBUHWNO-BTDLBPIBSA-N 386.261 3.250 0 1 GGAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc(F)c(F)c2[nH]1 587201890 CWLMYPWVMQRPPT-CYBMUJFWSA-N 375.331 3.283 0 1 GGAF c1cncc(CN2CCc3sccc3[C@]2(c2cccnc2)[C@@H]2CCNC2)c1 963018688 XXBLJJSDLWEHKT-KNQAVFIVSA-N 376.529 3.450 0 1 GGAF Cc1c(-c2ccc(N3CC[C@@H]3C(=O)N(C)C)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772650786 LVVDIJDRZCGQFG-GOSISDBHSA-N 397.425 3.449 0 1 GGAF Cc1c(CC(N)=O)c2ccc(OCCCC(=O)O)cc2n1Cc1ccccc1 13445841 FIGPERMICBAOQV-UHFFFAOYSA-N 380.444 3.269 0 1 GGAF COc1cc2ncnc(N3CCN(C(=O)Nc4ccsc4)CC3)c2cc1OC 13491529 SACBQFMSEKIABM-UHFFFAOYSA-N 399.476 3.063 0 1 GGAF Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3cnccc3N(C)C2=O)c1 13732986 QQSVEIZUNJIWAJ-NRFANRHFSA-N 399.454 3.352 0 1 GGAF CCN(CC)c1ccccc1C[S@](=O)c1nccn1-c1ncccc1OC 13746298 GLTJUAHCOAIPCZ-HHHXNRCGSA-N 384.505 3.430 0 1 GGAF O=C1CS(=O)(=O)c2sccc2N1Cc1ccc(F)c(OC(F)(F)F)c1 169348914 ODTLNSGLXHNJMR-UHFFFAOYSA-N 395.355 3.106 0 1 GGAF O[C@](CN(Cc1ccccc1)C1CC1)(Cn1cncn1)c1ccc(F)cc1F 1857592391 ATRUCNMGKLMZKT-OAQYLSRUSA-N 384.430 3.109 0 1 GGAF C[C@@H]1CCC[C@H](NC(=O)CCCn2c(=O)[nH]c3cc(Cl)ccc3c2=O)[C@@H]1C 4873285 XLNBYRSHUJNFNF-IOASZLSFSA-N 391.899 3.064 0 3 GGAF COc1ccccc1NC(=O)O[C@@H]1COCCN(c2nc3ccccc3o2)C1 2356302271 QBXIORDRYLGWSN-AWEZNQCLSA-N 383.404 3.290 0 1 GGAF CC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3cnc4cc[nH]c4c3)CC1)C2 117465972 QOPWTEZWCHPGGC-UHFFFAOYSA-N 391.475 3.392 0 1 GGAF CC(C)C[C@@H](CN)CC(=O)OCCCCOC(=O)CC1(CN)CCCCC1 26504634 QXQISKFVMZYMPT-GOSISDBHSA-N 384.561 3.163 0 1 GGAF CCOC(=O)[C@@H](NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21)[C@@H](C)CC 40379940 PQEMQMZAKUUASG-VPWXQRGCSA-N 396.487 3.300 0 1 GGAF Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)OCCCCN(C)C)co2)cc1 82073399 LFCLCEITQJOVNI-LJQANCHMSA-N 399.491 3.140 0 1 GGAF CC(=O)c1c(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)[nH]c2ccccc12 40408250 GASAPGHPBMDRTN-UHFFFAOYSA-N 379.435 3.468 0 1 GGAF CS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1 96917501 KSGPINNYAMUQAE-UHFFFAOYSA-N 394.456 3.118 0 1 GGAF COCCNC(=O)C[C@@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 299870083 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O=C(CCc1c[nH]c2ccccc12)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O 16025330 KFGFJXBVUJCIIG-HXUWFJFHSA-N 391.427 3.100 0 1 GGAF biogenic COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1 165302418 FWUWJAIPWDUCBA-FQZPYLGXSA-N 388.423 3.259 0 1 GGAF COc1ccc(N=c2[nH]c(N(C)C)c(C(=O)c3cnc4ccccn34)s2)cc1 1857756608 YYRWKHSUWOQQJO-UHFFFAOYSA-N 393.472 3.262 0 1 GGAF COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C[C@@H]3C(=O)OC[C@H]32)cc1OC 104999656 KRWVSKZISHTLQK-GCKMJXCFSA-N 384.428 3.198 0 3 GGAF CC(=O)Nc1ccc2c(c1)C[C@@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1 101010533 RNRCQICMAYSEFP-FIKGOQFSSA-N 384.501 3.117 0 1 GGAF COc1cc(-c2nnc([S@](=O)Cc3ccccc3F)o2)cc(OC)c1OC 29123220 CLMXTGLDVKHSJL-MHZLTWQESA-N 392.408 3.209 0 1 GGAF COc1cccc([C@H]2/C(=C(\O)OCCC(C)C)C(C)=Nc3nnnn32)c1OC 103531803 KGNMFMDZCIROGZ-XIGQLOAZSA-N 387.440 3.218 0 1 GGAF c1cc(C2=NCCN2)c2cc(Cc3cc4c(C5=NCCN5)cccc4o3)oc2c1 28870052 MNCHFEKKHQSARB-UHFFFAOYSA-N 384.439 3.469 0 1 GGAF O=C(Nc1ccccc1F)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 62178745 ZQTQPFMZEBWHLQ-SLDRDFCHSA-N 376.387 3.390 0 1 GGAF CC(=CCC[C@@H]1C[C@@H](c2cc(O)ccc2O)OC1=O)CCC=C(CO)CO 2356865246 WKBBTEUDELYQMD-UZLBHIALSA-N 376.449 3.120 0 1 GGAF CCOC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@@H]1N2C 36177024 VOUOGJPPHPSUFT-WCVJEAGWSA-N 399.272 3.421 0 1 GGAF CCc1cc([C@@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)ccc1OC 34948160 ZQVKNEMQAHETSD-VFFMXWPCSA-N 381.520 3.456 0 1 GGAF COc1cc2c(cc1OC)CN(CCCNC(=O)c1cc(C)ccc1OC)CC2 72120009 JYZYSVZTFLADFH-UHFFFAOYSA-N 398.503 3.199 0 1 GGAF Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCC(O)CC3)cc2F)cn1 224746477 JKXLCGSRAHLMSX-UHFFFAOYSA-N 392.434 3.129 0 1 GGAF Cc1cc(N2C(=O)c3nn(C)c(C)c3[C@@H]2c2ccc(Cl)cc2)cn(C)c1=O 220381405 QKILPYXMYOTNIL-SFHVURJKSA-N 382.851 3.139 0 1 GGAF Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)OCC(C)(C)N(C)C)co2)cc1 82073396 YQWDALSCYFZDLA-SFHVURJKSA-N 399.491 3.138 0 1 GGAF CC[C@H](C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 224753189 OFYXVJGDRQGTHV-LBPRGKRZSA-N 386.452 3.499 0 1 GGAF COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O 45299236 WHAZSYWKCSEYRK-AWEZNQCLSA-N 378.860 3.258 0 1 GGAF CN(C)Cc1ccc(C(=O)Cn2ccc(OCc3ccccc3)cc2=O)cc1 223884450 XJKFTWWAHYXJDH-UHFFFAOYSA-N 376.456 3.372 0 1 GGAF CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(Br)c2)s1 84672402 CPDASYVBDNZTSW-UHFFFAOYSA-N 389.296 3.243 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 586901468 HTJJTAJCJRNOQZ-VQIMIIECSA-N 385.489 3.210 0 1 GGAF COCCCn1nccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587761134 SKBIVXQTGFHUPL-PIGZYNQJSA-N 382.277 3.445 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)N(C)C)cc1)CC2=O 587487445 OCBGKVZFSPKYSE-LJQANCHMSA-N 389.473 3.302 0 1 GGAF Cc1c(NC(N)=O)cccc1-c1nc2cc(I)cnc2[nH]1 587239411 KJEKEXOXHKAVFZ-UHFFFAOYSA-N 393.188 3.029 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CS(=O)(=O)c3cc(C(F)(F)F)ccc31)O2 587383829 WKMJKNJKGKBPML-KRWDZBQOSA-N 397.374 3.244 0 1 GGAF CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 587394834 JNSZVDXWJZWBNT-LRTDBIEQSA-N 388.464 3.475 0 1 GGAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(=N)[nH]cc3[nH]2)c1 587051439 XIALEEKWIKZUEU-SREVYHEPSA-N 398.854 3.414 0 1 GGAF O=C(Cc1nc2cccc(I)c2[nH]1)OCc1ccccc1 587781253 HATVMVNRAYKSJU-UHFFFAOYSA-N 392.196 3.453 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cccc(F)c12 587737735 GXCFDQOPZYRDJX-WNWIJWBNSA-N 379.204 3.457 0 1 GGAF COC(=O)c1cnc([C@@]2(C)c3c(ccc(OC)c3OC)C[C@H](C)N2C)s1 962574141 SWXRYKBEHDBQEI-JEOXALJRSA-N 376.478 3.087 0 1 GGAF S=C(NCc1ccccc1Br)N1CCC(c2c[nH]cn2)CC1 13808007 STQROBXFIDUSOJ-UHFFFAOYSA-N 379.327 3.426 0 1 GGAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@H]4C3=O)c2)cc1 165300270 WNZXJYLVHSKSSF-FQZPYLGXSA-N 388.423 3.259 0 1 GGAF O=c1[nH]nc(Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c2c1CCCC2 168332847 XDTOAXIGUBPQSV-UHFFFAOYSA-N 395.484 3.040 0 1 GGAF CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1cnccc1Cl 1857553661 APGKDCORARVZGM-UHFFFAOYSA-N 379.917 3.319 0 1 GGAF COc1ccc(-c2nn(-c3ccccc3Cl)c3c2CCS(=O)(=O)O3)cc1 1857575473 KDBPSMFJVTWLGA-UHFFFAOYSA-N 390.848 3.466 0 1 GGAF O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1nc2ccccc2s1 4099325 YTJAVXWZTLORKR-UHFFFAOYSA-N 376.397 3.391 0 3 GGAF aggregator CCc1ccc([C@@H]2C[C@H]3CC[C@H](N3)[C@@H]2C(=O)OC)cc1I 6425653 BSMPOYNWUIFFDN-BFJAYTPKSA-N 399.272 3.251 0 1 GGAF CCCN1CCN(C(=O)c2ccc(C[S@@](=O)c3cccc(Cl)c3)o2)CC1 6895290 RHVXWGFZNCEHAK-SANMLTNESA-N 394.924 3.409 0 1 GGAF O=C(O)CCCC(=O)N[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)O 26572886 BXOGLYYMYKLFJB-WOJBJXKFSA-N 397.471 3.302 0 1 GGAF COc1ccc(CCN(C)CC[C@@H]2CN(C)C(=S)c3cccnc3O2)cc1 26284788 JYFIAPBNBOCRKQ-GOSISDBHSA-N 385.533 3.023 0 1 GGAF [O-][n+]1nc2c(F)cnn2c2cc(OCc3ccccc3OC(F)(F)F)ccc21 64454019 VRTRTZWXEBGKNO-UHFFFAOYSA-N 394.284 3.133 0 1 GGAF COCCN(CCOC)c1nn2c(-c3ccc(C)cc3)nnc2c2ccccc12 33891540 GPJYEGSGDXGTSA-UHFFFAOYSA-N 391.475 3.352 0 1 GGAF Cc1ccccc1C(=O)N[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C[C@@H](O)[C@H]1O 2356761618 RTZOLTWUYJZLTC-BSDSXHPESA-N 379.378 3.022 0 1 GGAF C=C(c1cccc(OC)c1OC[C@@H](O)CNC(C)C)n1cnc2ccccc21 40640157 LWQUXBBBSYMOPD-KRWDZBQOSA-N 381.476 3.302 0 1 GGAF COc1ccc(OC)c(CCNc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc2C)c1 82204228 PEESMYKDONUFNZ-HZPDHXFCSA-N 386.496 3.070 0 1 GGAF CCN1C(NCc2ccco2)=N[C@H](CCc2ccccc2)[C@H](C(=O)OC)[C@H]1C 195400144 QEWJMKNMGVFONC-NSISKUIASA-N 383.492 3.240 0 1 GGAF CC(=O)OC[C@H](O)[C@]1(C)C=C2CC[C@H]3[C@@](C)(CC(=O)C[C@@]3(C)CO)[C@@H]2CC1 238763079 ODWZPGWMQUVUFL-PQQZDNAISA-N 378.509 3.031 0 1 GGAF c1ccc(Cc2n[nH]c(SCCCN3CCN(c4ccccn4)CC3)n2)cc1 96934129 DMOKGOVWMYAYEK-UHFFFAOYSA-N 394.548 3.095 0 1 GGAF Cc1ccc(NC(=O)N[C@@H]2CCN3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3C2)cc1 25180963 BMPPBKQRDYVRDG-IEBWSBKVSA-N 392.459 3.425 0 1 GGAF biogenic CN1CC[C@H](c2cc(-c3cnc(N)c(Cl)c3)nn2C2CC(F)(F)C2)CC1=O 146455953 JCOLBBNLBCCSQV-JTQLQIEISA-N 395.841 3.487 0 1 GGAF COc1c2cc(c(OC)c1OC)-c1cc(ccc1O)C[C@H](O)[C@@H](O)CCCC2 39180200 NPPMFGQJCBUBDZ-OALUTQOASA-N 388.460 3.076 0 1 GGAF biogenic COc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H]1CCCO1 299820954 RIEMXJMKVGFKQM-YVSFHVDLSA-N 378.900 3.253 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](O)c3cccc(N)c32)N1 587748773 YKDLSNKFMMBACK-AWBWRCJSSA-N 377.257 3.385 0 1 GGAF C=C1C=C(C)N2NC([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)=NC2=N1 587796226 PQOFYUZQGDJXCW-PSLIRLAXSA-N 390.260 3.169 0 1 GGAF Cc1[nH]c(=N)sc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658001 HOBXVXYQUQQCPH-UHFFFAOYSA-N 398.394 3.208 0 1 GGAF COC(=O)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1OC 587042422 TWOTYBPDDOOESN-JKSUJKDBSA-N 383.473 3.304 0 1 GGAF COC[C@@H](C)NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658052 JCYXHFRLOKHHOJ-LLVKDONJSA-N 389.427 3.099 0 1 GGAF Cc1cc2c(cc1O)[C@@]1(CN(Cc3ccccc3)CC[C@H]1C)N[C@H](C(=O)O)C2 963523579 IREQISKAKAFKGF-CGYQNGNCSA-N 380.488 3.037 0 1 GGAF C[C@@H]1CCN(Cc2ccccc2)C[C@]12NC[C@@H]1CC(=O)N(C)c3cccc2c31 963023896 IYEYGCFYQWANCC-VUMVONDWSA-N 375.516 3.477 0 1 GGAF COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccco2)CC1 13526355 SVMKGKAFODEYNT-ZHACJKMWSA-N 383.492 3.020 0 1 GGAF O=C(c1cc(COc2ccccc2)[nH]n1)N1CCN(Cc2cccs2)CC1 15061553 SJMXMQRYBVMMOU-UHFFFAOYSA-N 382.489 3.008 0 1 GGAF CCOc1ccc(C[C@H]2C[N+]3=C(NC[C@@H]3C)N2CC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 169721132 ZMGRVWMXWPRHFE-NBYDKTAJSA-O 382.572 3.499 0 1 GGAF O=C(CN1CCC[C@@H](Cc2ccccc2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 1857543148 QYWDZTYCVJVNMJ-BJKOFHAPSA-N 391.559 3.332 0 1 GGAF C[S@](=O)c1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)C3CC3)c2)[nH]1 1857618368 SMGQLITWTGOAAG-MHZLTWQESA-N 384.436 3.364 0 1 GGAF COc1ccc(C(=O)CCN2CCN(Cc3cccc(F)c3)CC2)cc1OC 1857751763 RQRHDHANFJUBCZ-UHFFFAOYSA-N 386.467 3.234 0 1 GGAF COC(=O)C1=C(N)Oc2c(OC)cccc2[C@@H]1CC(=O)c1ccc(Cl)cc1 1857773069 ZFFOXRRSSVSHEW-AWEZNQCLSA-N 387.819 3.441 0 1 GGAF CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CCOCC2)c1 767204 LKSLGYZBDUDYNL-PZJWPPBQSA-N 380.444 3.036 0 1 GGAF COc1c2ccoc2nc2c(OC)c(O[C@H](OC(C)=O)[C@@H](O)C(C)C)ccc12 2356464963 GVNWBELMQDFVHC-JXFKEZNVSA-N 389.404 3.283 0 1 GGAF COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccccn2)c1OC 101444650 WDGKRJOWJWPMDB-QZTJIDSGSA-N 381.476 3.024 0 1 GGAF O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@H](C(F)F)C2 114841566 UWTKUNBQKQJYNL-XDMRBOTDSA-N 387.839 3.395 0 1 GGAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(N2CCNCC2)ncc1Cl 38396946 PVEBIFFVXUQSFZ-UHFFFAOYSA-N 388.943 3.091 0 1 GGAF O=C1N(Cc2ccc(F)cc2)c2ccccc2[C@]1(O)c1ccc2c(c1)OCO2 71333230 WMTRAEBQVCKXAT-JOCHJYFZSA-N 377.371 3.337 0 1 GGAF CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2 40421122 LJXKGVYWGPLJGB-UHFFFAOYSA-N 385.508 3.024 0 1 GGAF COc1cc(C2=NN(C(C)=O)[C@H](c3ccc(F)c(F)c3)O2)cc(OC)c1OC 40568130 DVCXRURJHYSOBH-IBGZPJMESA-N 392.358 3.230 0 1 GGAF COC1CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1 222717810 QUOQTGPAFKSIQB-UHFFFAOYSA-N 381.484 3.469 0 1 GGAF COc1ccc(C(=O)c2c(C)n(C)c3c(OC)c(OC)c(OC)cc23)cc1O 95589147 JIIHZPUTRIMFAW-UHFFFAOYSA-N 385.416 3.458 0 1 GGAF Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc(Cl)cc3)n2)n[nH]1 261183430 WPIDGMOQLPNMNQ-UHFFFAOYSA-N 399.886 3.449 0 1 GGAF CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)co2)CC1 261188692 YHQARGJPWMROBH-XYPYZODXSA-N 383.436 3.382 0 1 GGAF CCc1nn2c(=O)cc(-c3ccc(Cl)c(OC)c3)[nH]c2c1-c1nc(C)no1 653671215 JDGOTTWGDXSELY-UHFFFAOYSA-N 385.811 3.272 0 1 GGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 587229369 ANGMODPPNSOLMH-CHWSQXEVSA-N 393.871 3.039 0 1 GGAF Fc1cc2nc(-c3nccnc3I)[nH]c2c(F)c1F 587186787 UIDRZNSFFHJZHG-UHFFFAOYSA-N 376.079 3.042 0 1 GGAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cnncc3[nH]1)C(=O)OC2 586916182 WSOPWUFWYNWXSK-WCIBSUBMSA-N 394.431 3.168 0 1 GGAF Nc1cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2cc1N 587153998 IPERLQPDBJNJDM-UHFFFAOYSA-N 397.435 3.334 0 1 GGAF CC(=O)CC(=O)Nc1ccc(NC(=O)Cc2cc3c4c(cccc4n2)CC3)cc1 587212137 DZYYNRRXNTUPIW-UHFFFAOYSA-N 387.439 3.432 0 1 GGAF COC(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2n1 587172749 LABXWTUNVHQXFB-UHFFFAOYSA-N 396.353 3.340 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(C=C(C)N(C[C@H]3CCCO3)C(=O)C1)CC2=O 587474655 GZLFWGYABZBYTF-IVZQSRNASA-N 385.460 3.364 0 1 GGAF CCOc1ccc(C(=O)C[C@H](C(=O)O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 957719833 YZWNLXPTGQVHDP-SFHVURJKSA-N 394.427 3.314 0 1 GGAF COc1ccccc1-c1cc(Nc2ccc(F)c(NS(C)(=O)=O)c2)ncn1 1772606188 QTORRJJDONDBFZ-UHFFFAOYSA-N 388.424 3.406 0 1 GGAF COc1c(Br)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2 13759736 HDTARZBAAGTXFM-FPYGCLRLSA-N 385.210 3.187 0 1 GGAF CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(NC(=S)NCc3ccccc3)C(=O)[C@@H]12 169304306 AMYFASUDBOAVHW-DEVSCXNHSA-N 397.544 3.179 0 1 GGAF O=C(O)CCC/C=C\C[C@H]1[C@H](/C=C/[C@@H](O)C2CCCCC2)[C@@H]2O[C@@H]1[C@@H]1O[C@H]21 169341713 BLPTUHHFIMEDBU-RZGHGQGJSA-N 376.493 3.466 0 1 GGAF O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1cccc(Cl)c1Cl 207701842 UBUKDGULHSDGAK-INIZCTEOSA-N 380.275 3.192 0 1 GGAF O=C1C[C@H](c2ccc(-c3cc[nH]n3)s2)c2cc(N3CCNC3=O)ccc2N1 1857597516 UGZNEGXKULPTKF-ZDUSSCGKSA-N 379.445 3.142 0 1 GGAF Cn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(S(C)(=O)=O)cc21 1857602865 QQRPSNMNDNTIEP-UHFFFAOYSA-N 392.480 3.261 0 1 GGAF O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 1343483 MWABVAWPDWCXFT-WFASDCNBSA-N 386.279 3.285 0 3 GGAF COC(=O)C1=C(CN2CCCc3ccccc32)NC(=O)N[C@H]1c1ccc(F)cc1 4058050 GGDNTCZFZJUIBA-FQEVSTJZSA-N 395.434 3.060 0 3 GGAF CCOCCc1ccc(OCCNC(=O)c2cc(C(C)(C)C)nn2C)c(C)c1 103292561 ZWKMBMKVMSSTSO-UHFFFAOYSA-N 387.524 3.414 0 1 GGAF C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)Cn1ncc2c3ccccc3nc-2c1O 102870018 ZHLOXSRHSSLIDC-HZPDHXFCSA-N 395.507 3.011 0 1 GGAF COc1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@H]2N3)cc1 117209470 QSHJSYZBWBFQIJ-SCLBCKFNSA-N 382.485 3.369 0 1 GGAF COc1ccc2c(n1)NC(=O)CC(=O)N2C1CCN([C@H]2/C=C/CCCCC2)CC1 114073114 YWAUKNYPCVZKBR-YERXGYGTSA-N 398.507 3.119 0 1 GGAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OC2CCCCC2)nc1 28570818 MQPFUFXIZSAKCO-UHFFFAOYSA-N 389.399 3.401 0 1 GGAF COc1ccc(Br)cc1CNc1nc2nc(C(C)C)cc(O)n2n1 35562367 GEFQGFSPIKOHAX-UHFFFAOYSA-N 392.257 3.337 0 1 GGAF O[C@@H]1CC[C@@H](OCc2ccc(F)cc2)C[C@H]1N1CCN(c2ccccc2)CC1 473111419 ZIPVRRRNKUOOBQ-DNVJHFABSA-N 384.495 3.447 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391.471 3.107 0 1 GGAF O[C@@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNCc1ccncc1 2356287335 HAWVBIQCTBCQBD-TUNNFDKTSA-N 397.450 3.117 0 1 GGAF COc1ccccc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@H](C)S2 6779559 NJINWLQZLJIUJL-LBPRGKRZSA-N 392.502 3.343 0 3 GGAF CCc1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)cc1 104041696 KPQRTIOVDWBQJW-INIZCTEOSA-N 385.423 3.185 0 1 GGAF COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@H]12 105014087 KXEMQEGRZWUKJS-VDESFZGPSA-N 382.460 3.187 0 1 GGAF O=C(Nc1ccccc1)c1cc([C@H]2COCCN2C(=O)c2cccs2)on1 61904553 GLJAZGDCXPFKKX-OAHLLOKOSA-N 383.429 3.202 0 3 GGAF COc1cc([C@H]2CN=C(c3ccc4c(c3)nc(C)n4C)O2)cc(OC)c1OC 27524328 ANOPLMZFGSEODR-LJQANCHMSA-N 381.432 3.426 0 1 GGAF C[C@@H]1CC[C@H]2CC3=C(C(=O)O)[C@@H](O)C[C@]31[C@]2(C)CNC(=N)NC1CCCCC1 2356769397 CRYRHDNRSJLOHC-RLAJWXCJSA-N 389.540 3.021 0 1 GGAF CCN(CC)CC(=O)c1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40392958 MAAACXQOEUETFU-QFIPXVFZSA-N 397.471 3.415 0 1 GGAF CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(Br)cc2)C(=O)O1 40845515 WYFMKVGGWKOZAZ-ZHJQRIIBSA-N 397.265 3.100 0 1 GGAF COc1cccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)c1 473104318 PBCPLVFHKQAVKE-CYBMUJFWSA-N 382.395 3.226 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnc(C)nc1C 587868150 VUKHGUMLMIKBDG-UHFFFAOYSA-N 377.326 3.068 0 1 GGAF CCc1ccc([C@@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587827057 NBJCYISSKHNQBP-NSPYISDASA-N 394.284 3.239 0 1 GGAF CNC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587577789 LTSOUCXELHAPOM-RXVVDRJESA-N 375.380 3.455 0 1 GGAF CCCc1c(O)ccc2c1OC1(CCN(CCCC(=O)OC)CC1)CC2=O 587476413 OWGWLKHWLFZMCQ-UHFFFAOYSA-N 375.465 3.098 0 1 GGAF C[C@]1(c2scnc2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617252 JKQGQOMOYDKRLB-YJYMSZOUSA-N 383.381 3.424 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@@]3(CCC[C@H](NC(=O)OC(C)(C)C)C3)c3cccc1c32 963022594 HETAWVRSOLWNAR-ZCCHDVMBSA-N 385.508 3.403 0 1 GGAF COc1ccc(C[C@@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c(C)c1OC 963549000 IIXHDIPQMFISIB-HTAPYJJXSA-N 385.460 3.083 0 1 GGAF CCCCC[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@H](O)CCCC(=O)NCCO 13475546 HCQOANBAXGVZTC-BVFZWAKASA-N 379.541 3.182 0 1 GGAF CN(CCOc1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccncc1 13494028 UHNCXCJRJXTMJR-UHFFFAOYSA-N 397.500 3.422 0 1 GGAF C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)CO[C@@H]1F 169335902 HBJCZLYQYZGGRO-IRXDYDNUSA-N 380.782 3.025 0 1 GGAF O=C(Nc1ccc(C(=O)N2C[C@@H]3CCO[C@H]3C2)cc1)N1Cc2ccc(F)cc2C1 167270227 XJIHPGKUHNEFIV-JXFKEZNVSA-N 395.434 3.234 0 1 GGAF NCCCCN(Cc1ccc(C(F)(F)F)cn1)C[C@H]1Cc2ccccc2CN1 1857636063 RRXPTIYEBFHHHN-HXUWFJFHSA-N 392.469 3.356 0 1 GGAF CC1(C)C(C(=O)Nc2ncnc3c2cnn3CCN2CCCCCC2)C1(C)C 143201084 YQYOFUSEEMIJTI-UHFFFAOYSA-N 384.528 3.323 0 1 GGAF CC[C@@H](C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 3896021 NPILYSKRYGCCQY-CRAIPNDOSA-N 380.554 3.442 0 1 GGAF CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1cc(OC)ccc1OC 4437322 FBQKXKGDCFEGLT-XOBRGWDASA-N 382.460 3.316 0 3 GGAF Cc1cccc(C)c1NC(=O)C[S@@](=O)CC(=O)N[C@@H]1CCCc2ccccc21 4906658 HPYIOVGICBOHBE-WHLCRQNOSA-N 398.528 3.184 0 3 GGAF O=C(CO)C[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1 100636715 ZXTALJYDNIHGRH-HDICACEKSA-N 385.508 3.098 0 1 GGAF c1ccc([Si]2(c3ccccc3)CC[C@H](N3CCN(c4ccccn4)CC3)C2)cc1 170112511 SMCJVXKJSZTJLE-QFIPXVFZSA-N 399.614 3.239 0 1 GGAF CCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 64527145 QAMASBKIYJEUQW-UHFFFAOYSA-N 391.880 3.173 0 1 GGAF Cc1nc(NCCN2CCOCC2)cc(Nc2ccc(OC(F)(F)F)cc2)n1 64540246 PXYRSVLRSRKBJF-UHFFFAOYSA-N 397.401 3.171 0 1 GGAF Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CCC(=O)O)C2 34804771 DUYPYSBUOWVEJT-UHFFFAOYSA-N 394.258 3.253 0 1 GGAF CC(=O)C[C@@]1(O)C(=O)c2cc3c(c4c(C)cc(O)c(c24)C1=O)O[C@@H](C)C3(C)C 40835423 WQZQJCVZIJHWNU-KPWVOAKYSA-N 382.412 3.002 0 1 GGAF CN1C/C=C/COC[C@@H]2CCCN(C2)c2ccnc(n2)Nc2cccc(c2)C1 84705547 LNYUDKNXQXNIDZ-LSTKMXGYSA-N 379.508 3.455 0 1 GGAF NC1=N[C@](CF)(c2cc(Oc3ncccn3)ccc2F)C[C@@H](C(F)(F)F)O1 223558010 CKDWVTYJRHIJRQ-SWLSCSKDSA-N 388.296 3.239 0 1 GGAF CCN(c1ccccc1C)S(=O)(=O)c1cc(NC(C)=O)c(OC)cc1OC 82154212 IRVGIJWUGUOMCY-UHFFFAOYSA-N 392.477 3.186 0 1 GGAF O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccccc2)nc1 142316237 DMZWWXHTJHTRRH-UHFFFAOYSA-N 379.416 3.224 0 1 GGAF C/C=C/c1ccc([C@H]2[C@@H](CN(C)C(=O)CC3CC3)N(C(=O)C3CC3)[C@H]2CO)cc1 95894993 YSSXVWIIEMOJRT-GWODHLHCSA-N 396.531 3.044 0 1 GGAF CCCc1c(O)ccc2c1O[C@H](c1cn(COC(=O)C(C)(C)C)nn1)CC2=O 587475240 KQVKOSZPZMRJAP-KRWDZBQOSA-N 387.436 3.190 0 1 GGAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)cc2N1 587126153 WFVZYKQHRQEDGK-OQPBUACISA-N 399.398 3.137 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccccc4)nn4cc[nH]c(=O)c14)[C@@H](C2)C3=O 587435685 IMHLPMSIXYTEER-NYHFZMIOSA-N 399.406 3.187 0 1 GGAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Br)cc(F)c2[nH]1 586950313 UKTOIMJEUGWRID-UHFFFAOYSA-N 398.257 3.427 0 1 GGAF C[C@]1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174964 UCPDIFUFXODFAY-JOCHJYFZSA-N 395.434 3.163 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c1ccc(N)c4N)[C@@H](C2)C3=O 587434373 UEFWFDSPSHLEAF-UPCLLVRISA-N 398.418 3.095 0 1 GGAF C=C(C(=O)O)c1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O 587942169 ZRFYLZFOYUZMMC-AWEZNQCLSA-N 395.253 3.063 0 1 GGAF CCc1ccccc1NC(=O)c1nc2ncc(I)cc2[nH]1 587240369 CQMYRXLVRNDDPK-UHFFFAOYSA-N 392.200 3.377 0 1 GGAF CCOC(=O)/C(=C\N(C)C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587757045 UGPAHAGWKPUWRH-GPNDSKPYSA-N 385.277 3.172 0 1 GGAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 586957948 GEHQYWNCOYMPKD-HNNXBMFYSA-N 386.260 3.339 0 1 GGAF CCc1c(C)[nH]c2c1C(=O)C[C@@H](CN1CCN(c3ccccc3OC)CC1)C2 13471638 WBOSTHWNFSNILI-KRWDZBQOSA-N 381.520 3.461 0 1 GGAF COc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@@H]32)n1 169701359 QKNCGIRCYXKJSV-PXNSSMCTSA-N 386.455 3.113 0 1 GGAF CC(C)(O)[C@@H](CCc1ccc(C(F)(F)F)cc1)n1cnc2c(N)ncnc21 1857754450 QPGFYDPQLHJUNX-CYBMUJFWSA-N 379.386 3.372 0 1 GGAF O=C(NCCCN1CCN(c2ccccn2)CC1)c1cc(Cl)cc(Cl)c1 1857767687 TXYKBPIZJBXZPO-UHFFFAOYSA-N 393.318 3.331 0 1 GGAF CC1(C)[C@H]2CC[C@@H]3[C@@H](C[C@H](O)[C@@]4(C)[C@@H]5C(=CC[C@H]34)CO[C@@H]5O)[C@@]2(C)CC[C@H]1O 2356314199 RGGDHBJRMKFIJA-AGCWERRFSA-N 390.564 3.498 0 1 GGAF CC(=O)OC[C@H](O)[C@](O)(CO)[C@@H]1C[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]2(C)C1 2356390571 HDYYOZGCKVOQKY-ZQPKRWIZSA-N 396.568 3.293 0 1 GGAF COc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)c1 4965612 JGPHMNYJYHWBFR-MRXNPFEDSA-N 385.439 3.395 0 3 GGAF COc1ccccc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@@H](C)S2 6779557 NJINWLQZLJIUJL-GFCCVEGCSA-N 392.502 3.343 0 3 GGAF COc1cccc([C@@H]2C[C@@H](C(F)(F)F)N3NC=C(C(=O)NC(C)(C)C)C3=N2)c1 104010018 OPFPOCVGCULJDO-GJZGRUSLSA-N 396.413 3.088 0 3 GGAF O=C(O)c1ccc(-c2[nH]nc3c2Cc2cc(CN4CCOCC4)ccc2-3)cc1 28714072 RBWGJLYQRAOHKO-UHFFFAOYSA-N 375.428 3.178 0 1 GGAF CCN1CCN(CCCNC(=O)c2cc3c(C)nc4ccccc4c3o2)CC1 20323419 WWNQJMGQZWBVOW-UHFFFAOYSA-N 380.492 3.047 0 1 GGAF CCCCC/C=C\C/C=C\C[C@H](O)[C@H](O)C/C=C\CCCC(=O)NCCO 34961990 VBCWCYKNZSTKQW-IMIBYHOZSA-N 381.557 3.406 0 1 GGAF NCCCC[C@H](NC(=O)c1cc2ccccc2cn1)C(=O)OCc1ccccc1 71341268 YNHRQJHRPGOFEZ-FQEVSTJZSA-N 391.471 3.206 0 1 GGAF O=C(NC1CCCC1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72185905 HGTQTGFHVUOXBW-FQEVSTJZSA-N 399.926 3.489 0 1 GGAF CC1=C[C@H](C[C@]2(C)O[C@@H]2COc2c3ccoc3cc3oc(=O)ccc23)OC1=O 14422422 RJCCYQUNRFJCPC-ZXNZOMRRSA-N 382.368 3.337 0 1 GGAF biogenic C[C@@](O)(CS(=O)(=O)c1ccccc1)c1nc(-c2ccc(F)c(Cl)c2)no1 73310774 XLHNPIQRVNXXFJ-QGZVFWFLSA-N 396.827 3.211 0 1 GGAF CC1(C)CN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CCO1 139817966 GGHKWUZUBLOVIC-UHFFFAOYSA-N 375.476 3.244 0 1 GGAF CSc1nn(-c2ccccc2)c2cc(N3CCN([C@H]4CCNC4)C3=O)ccc12 147345175 WCFRHSMOXDFMTP-KRWDZBQOSA-N 393.516 3.351 0 1 GGAF COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@]4(O)[C@@H](C2)N(C)CC[C@]314 254130901 HPRLAWOHFRYBFS-JMBSJVKXSA-N 388.467 3.095 0 1 GGAF Cc1ccc2c(CC(=O)O)cn(-c3ccccc3Cn3nc(C)nc3C)c2n1 299828974 SQKPQVLAPTXPSO-UHFFFAOYSA-N 375.432 3.218 0 1 GGAF COc1ccc(CCOC(=O)/C=C\c2cc(OC)c(O)c(OC)c2)cc1OC 653912186 MNCNATMJPXYRTH-VURMDHGXSA-N 388.416 3.226 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)c1ncc[nH]1 587586701 CWVDIQRFBDGSQI-AVRDEDQJSA-N 385.379 3.416 0 1 GGAF CCOCCOCc1nc2c(Br)cnc(Br)c2[nH]1 587779218 VYYXZLCTNYNLIM-UHFFFAOYSA-N 379.052 3.036 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3nn[nH]n3)c2)N1 587797297 RPFFOGHHIVVFJH-FVMDXXJSSA-N 388.244 3.392 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(-c3[nH]nc(OCC)c3Cl)[nH]c2c1 587065733 YBQKLHXQHWMBOO-UHFFFAOYSA-N 397.888 3.084 0 1 GGAF O=S(=O)(Nc1ccsc1-c1nc2cncnc2[nH]1)c1ccc(F)cc1 587170172 LEGUZUNYRTVNRT-UHFFFAOYSA-N 375.410 3.021 0 1 GGAF COC(=O)c1scnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587855826 WEIOBUDWPLUBLD-MADCSZMMSA-N 385.258 3.455 0 1 GGAF C[C@@]1(c2cnc(C(=O)O)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337635 LZFYOXUZKXOGEV-NQIIRXRSSA-N 394.358 3.294 0 1 GGAF Oc1nccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 586966060 CHBSKQCUASLABC-UHFFFAOYSA-N 378.461 3.473 0 1 GGAF CC[C@@]1(c2ccc(Br)cc2N)N[C@H](C(=O)O)Cc2cc(F)ccc21 962918446 HSIBXXDGNUDCEL-FUHWJXTLSA-N 393.256 3.423 0 1 GGAF CCCOC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2F)cc1 1772632490 KCUJMWQWIXAOCT-FQEVSTJZSA-N 395.434 3.441 0 1 GGAF O=C(O)[C@@H](CCCCn1cnc2c1NC=NC[C@H]2O)Cc1cccc(Cl)c1 13807307 ILCBREXWAFCKSC-GOEBONIOSA-N 390.871 3.138 0 1 GGAF CC1(NC(=O)c2cnn3ccc(N4CCC[C@H]4c4cncc(F)c4)nc23)CCC1 169704197 YGJUUAYGTMKZBM-KRWDZBQOSA-N 394.454 3.277 0 1 GGAF CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1cccc(Cl)n1 1857606544 PYCHVIZRNJIHCM-UHFFFAOYSA-N 379.917 3.319 0 1 GGAF Cc1c(C(=O)Nc2ccccc2)sc(NC(=O)c2nccs2)c1C(N)=O 1857618715 BSSDZZDJSYPVHM-UHFFFAOYSA-N 386.458 3.117 0 1 GGAF CC(=O)[C@]1(O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857623075 UOHQEFKIKABMNS-VHWGXBIPSA-N 382.516 3.019 0 1 GGAF O=C(NC[C@H]1CN(c2ccc(-c3ccc(F)c(O)c3)c(F)c2)C(=O)O1)C(F)F 1857766867 FWOOJZOCPPWGEY-NSHDSACASA-N 398.312 3.044 0 1 GGAF Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cn2)ccn1 116934443 HKNLCIOYTMDVDE-UHFFFAOYSA-N 382.427 3.485 0 1 GGAF CC(=O)O[C@@H]1[C@@H]2[C@H](C)c3ccoc3C[C@@H]2[C@]2(C)CCCC(C)(C)[C@]2(O)[C@@H]1O 2356425195 ACCJIJJOPXNXTB-SBWJXFBSSA-N 376.493 3.425 0 1 GGAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCCCN(C)c1ccccc1 2468125 WZRIUBHKKBUDGV-QHCPKHFHSA-N 395.503 3.469 0 1 GGAF Cc1cccc(NCc2nn3c(=O)c4cnn(-c5ccccc5)c4nc3s2)c1 103219962 IYFDIJQXYURGHC-UHFFFAOYSA-N 388.456 3.410 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)c4cc(Cl)ccn4)ccc31)[C@H]1CC[C@H](C2)N1 100632829 YVBFOMUWVVPKDA-IUODEOHRSA-N 387.892 3.409 0 1 GGAF C[C@@H](CCCO)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356490991 BMSROUVLRAQRBY-LSEFLRAJSA-N 394.596 3.356 0 1 GGAF CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2c2cc(C(=O)NC(C)C)no2)cc1 61928246 YOGOEIVWFQWKAO-GOSISDBHSA-N 398.463 3.139 0 3 GGAF COc1ccccc1C(=O)N1C[C@@H]2CN(c3nccc(-c4ccccc4)n3)[C@@H]2C1 116824981 JKDJAMNOQDSZFM-YLJYHZDGSA-N 386.455 3.113 0 1 GGAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc21)c1ccccc1 2356818666 DVBPPQUYOBVCHW-FSSWDIPSSA-N 375.516 3.190 0 1 GGAF Cc1cc2nc3n(c2cc1C)C[C@H]1C[C@H](C(=O)NCCc2cccs2)N(C)[C@H]31 36378272 GZZDLQKHHGJFCA-YSGRDPCXSA-N 394.544 3.449 0 1 GGAF Cc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N(C)c1ccccc1 40875143 ZFMRDKUOJUMTAI-UHFFFAOYSA-N 377.466 3.431 0 1 GGAF O=C([C@@H]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1)N1C[C@@H]2COC[C@H]2C1 1911583053 MYFCONVOQBKWQJ-JHJVBQTASA-N 388.817 3.290 0 1 GGAF CC(C)c1ccc(S(=O)(=O)c2cccc3oc(N4CCNCC4)nc23)cc1 40392728 XUOKRGMHZQARTR-UHFFFAOYSA-N 385.489 3.194 0 1 GGAF Cc1sc(NC(=O)C2=C(C(=O)O)COCC2)c(-c2nc(C3CC3)no2)c1C 147014941 UPQKORAWBYEDGT-UHFFFAOYSA-N 389.433 3.032 0 1 GGAF C[C@H]1CN(c2ncccc2N)C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1 96316656 IQEKKNIHTWIEQT-PHIMTYICSA-N 394.306 3.292 0 1 GGAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1cccnc1 261148441 OKKXMBGWIDJDKK-SFHVURJKSA-N 391.427 3.406 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC4CCC4)n3)C2)cc1 261191993 ZNBMRXZAJJDAGZ-MGPUTAFESA-N 396.491 3.263 0 1 GGAF COc1ccc(-n2ccc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1N 299835452 WDUGDKBLFNPWHJ-UHFFFAOYSA-N 382.416 3.325 0 1 GGAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1[C@@H](CN[C@H]1C(=O)O)C4)-c1ccccc1C2=O 587097001 NIEFJPCGITUYKM-DTJNWYTMSA-N 384.435 3.142 0 1 GGAF O=C(O)CN1N=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518486 JJEJCIPZSMASIK-JOCHJYFZSA-N 376.412 3.317 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CN2CCN(C)CC2)N1 587764280 CWZRALLLYUEOGU-SCLBCKFNSA-N 398.364 3.437 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCN(C)CC4)cc1)[C@@H](C2)C3=O 587445350 VNSUZUPRMUUDIY-CVDCTZTESA-N 378.472 3.110 0 1 GGAF COC(=O)C(=O)C[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587806478 JJGKPTCBKRVERY-BMLIUANNSA-N 386.261 3.106 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1n[nH]cc1Br 587869535 LWCSPEIKUCILQT-UHFFFAOYSA-N 379.189 3.262 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cccc(Br)c41)[C@@H](C2)C3=O 587416918 GFYFCFTVCYTOAL-XTZNXHDOSA-N 386.201 3.053 0 1 GGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(O)(C(F)(F)F)C(F)(F)F 587649352 ICUJFYVQGGEOPT-UHFFFAOYSA-N 375.290 3.192 0 1 GGAF CCOC(=O)c1c(-c2cncn2C)[nH]c2c1c(Br)cc1n[nH]cc12 587622628 DZTJKCSGPAFIPF-UHFFFAOYSA-N 388.225 3.384 0 1 GGAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cnc(Cl)[nH]c-2n1 586984107 HSNJLFVAAIOMQV-NSHDSACASA-N 394.660 3.140 0 1 GGAF C[C@]1(CN)CCc2ccccc2[C@]12c1c(Cl)ccc3c1CCN2[C@@H]3C(=O)O 962573216 MXZBXCBTUHNODQ-NNWRFLSQSA-N 382.891 3.492 0 1 GGAF COc1ccc([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1N 962647924 VBECNVKQNHDWMJ-UGKGYDQZSA-N 377.444 3.014 0 1 GGAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@]2(CCCc3scnc32)N1 962709739 RHQCTWNXEHIGEI-MLGOLLRUSA-N 386.370 3.480 0 1 GGAF O=c1/c(=C\c2ccc(Cl)cc2Cl)sc2n1CN(c1ccccc1)CN=2 1857539656 FOJUZQPVBDQHLM-LZYBPNLTSA-N 390.295 3.100 0 1 GGAF Cc1c(C(=O)N2CCC(C3CC3)CC2)cnn1-c1nc(O)c2sccc2n1 1857609126 NINUQPFRWZDHDA-UHFFFAOYSA-N 383.477 3.153 0 1 GGAF COc1ccc(C(=O)O[C@H]2C=CO[C@@H](C)[C@@H]2OC(=O)c2ccc(OC)cc2)cc1 1616229 OEHLTPIDZCHVKH-GKCIPKSASA-N 398.411 3.387 0 1 GGAF COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)o2)cc1 6772187 XCLOPRCEFNSYGO-GJZGRUSLSA-N 391.489 3.380 0 3 GGAF CC(C)N(CCCNC(=O)c1nc(-c2cccnc2)no1)Cc1ccccc1 9405790 ZUOLWPRCWBJYFG-UHFFFAOYSA-N 379.464 3.162 0 1 GGAF O=C1N/C(=C\c2c[nH]c3ccccc23)C(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]12 28654911 VMOHRTUMTFOACL-YOGOOIESSA-N 382.423 3.073 0 1 GGAF C[Si]1(C)C[Si](C)(C)c2cc(C3(c4ccc(C(=O)O)cc4)OCCO3)ccc21 198009843 JJYIDLOYXKNNAS-UHFFFAOYSA-N 398.607 3.016 0 1 GGAF in-vitro CCCN1CCN(c2ncc(CCN(C)C(=O)c3ccc(C)cc3)s2)CC1 98084370 RXONUIWHFDSUNI-UHFFFAOYSA-N 386.565 3.298 0 1 GGAF COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@H]1OC(C)=O 238769915 AVICMXMDDSGUEL-RJOPBHBASA-N 396.487 3.218 0 1 GGAF Cc1ccc(-n2cccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)n1 473162986 ZWQZGMRXIPTTDL-SQNIBIBYSA-N 389.459 3.043 0 1 GGAF COC(=O)c1cc(O)cc(O)c1C(=O)c1c(O)c(Cl)c(C)c(Cl)c1O 653779474 SFJQFMIMZJIZHP-UHFFFAOYSA-N 387.171 3.142 0 1 GGAF biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(N)=O)cc2)N1 587746904 IVCUUPCGOLIAAQ-MLCYQJTMSA-N 393.256 3.076 0 1 GGAF COc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587591091 BDRDQCPNTNGXAA-AVRDEDQJSA-N 389.363 3.210 0 1 GGAF CCOC(=O)/C(=C\N(C)C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587742368 QXZKPKXTNADFJU-KMHRDMROSA-N 399.304 3.346 0 1 GGAF COc1ccc(NC(C)(C)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 587201589 TTXSMEAGKFJYFH-UHFFFAOYSA-N 388.493 3.169 0 1 GGAF CC(C)=CCC/C(C)=C/c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587967769 MKGKXYJVCWWWHR-OBGWFSINSA-N 396.535 3.463 0 1 GGAF CC[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)CC(=O)c2cc(C)cc(N)c2O1 587409290 LEZWWJFUUGWRIQ-GOSISDBHSA-N 394.880 3.149 0 1 GGAF CC[C@@]1(c2ccccc2OCC(=O)N(C)C)CC(=O)c2cc(C)cc(N)c2O1 587387703 SDMISNNOHCAFKS-QFIPXVFZSA-N 382.460 3.315 0 1 GGAF CC1(C)OC(=O)C(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)=C1N 587255399 MYIOTSQFRDSVOI-UHFFFAOYSA-N 390.159 3.349 0 1 GGAF Cc1ccc(S(N)(=O)=O)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587531204 JMRPOIAYNGSARO-OAQYLSRUSA-N 385.485 3.402 0 1 GGAF COC(=O)C[C@@]1(C)c2c(C)cccc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963862703 DVPBBQWXOLUTOA-VFNWGFHPSA-N 391.464 3.410 0 1 GGAF O=C1Nc2cc3c(cc2[C@@]12c1c(F)cccc1C[C@H]1CCCN12)OCCCO3 963102475 KHDWBQHWTKREAE-JLCFBVMHSA-N 380.419 3.203 0 1 GGAF CCOC(=O)N1CCC[C@@]2(CC1)c1c(ccc(OC)c1OC)C[C@H](C)N2C 962636616 SQITZQULGKKHGC-YCRPNKLZSA-N 376.497 3.418 0 1 GGAF Cc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 5066945 GCUJBULPMFJHJA-GOSISDBHSA-N 395.484 3.335 0 3 GGAF O=C(CCCCc1ccc2c(n1)NCCC2)NC[C@@H](C(=O)O)c1cccc(F)c1 13860627 JAUBDECGBYELOG-LJQANCHMSA-N 399.466 3.276 0 1 GGAF CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CO 1857550797 STCQWJWPFHTPMN-UHFFFAOYSA-N 390.802 3.495 0 1 GGAF Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1nc(O)c2ccsc2n1 1857605896 QNSFPQBLKCUPNE-UHFFFAOYSA-N 391.456 3.090 0 1 GGAF C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@@H](c2ccccc2)C1=O 1857636944 OEYDCVSBDIZOBF-KKSFZXQISA-N 391.471 3.107 0 1 GGAF O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccc(F)cc2F)CC1 1857655830 FXIAUBAIUBQSST-UHFFFAOYSA-N 399.441 3.163 0 1 GGAF NS(=O)(=O)c1cccc(-c2ccc3nccc(-c4ccncc4F)c3n2)c1 1857753148 UNTGAQHFGNYSMY-UHFFFAOYSA-N 380.404 3.145 0 1 GGAF Nc1nccn2c1c(-c1ccc([C@@H](O)c3ccccc3)cc1)nc2[C@H]1C[C@@H](O)C1 100619040 GJWQHNJZNBLTFJ-WFXMLNOXSA-N 386.455 3.299 0 1 GGAF CN(CCN1CCSc2cc(NC(=N)c3cccs3)ccc21)CC(=O)O 113970803 GBISUSYSGDLKKW-UHFFFAOYSA-N 390.534 3.114 0 1 GGAF C[C@]1(O)CC(=O)O[C@H](CSc2nc(-c3ccccc3)n(-c3ccccc3)n2)C1 27438367 GJDBVNRPTNZLSR-LAUBAEHRSA-N 395.484 3.483 0 1 GGAF CN(CCCNC(=O)c1ccco1)c1nc(N2CCCC2)c2ccccc2n1 27101560 PBHFEQMVCRTODJ-UHFFFAOYSA-N 379.464 3.079 0 1 GGAF COc1ccc([C@]2(O)c3c(ccc(CC=C(C)C)c3O)NC(=O)[C@@H]2OC)cc1 14638637 ZRZQXSGEIJXJEO-UNMCSNQZSA-N 383.444 3.113 0 1 GGAF biogenic CCNc1cc(-c2[nH]c(SC[C@@H](O)CO)nc2-c2ccc(F)cc2)ccn1 40866870 IJVAKBFYTXULGY-HNNXBMFYSA-N 388.468 3.155 0 1 GGAF COC(=O)C1=C(C)N(C)C(NCC2CC2)=N[C@@H]1c1ccccc1C(F)(F)F 199432170 GMNNISRKWMWRCJ-MRXNPFEDSA-N 381.398 3.495 0 3 GGAF COc1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@H](C)CN3)cc1 82211034 OWSFMKZIMOZNFP-OAHLLOKOSA-N 398.507 3.198 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1F 95599163 JKOPVYOBIRRIGA-IBGZPJMESA-N 389.448 3.369 0 3 GGAF Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCCCC1 95575323 HJDHXRWDPKGUID-MRXNPFEDSA-N 384.929 3.250 0 1 GGAF Cc1nc(-c2nc(C(=O)NCCCCC(=O)NO)c(CC(C)C)s2)cs1 147366101 AXXQWAZGKIBMHW-UHFFFAOYSA-N 396.538 3.179 0 1 GGAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CCC3)[C@H]2CN(CC)C(=O)CC)cc1 95895715 TZEUCKCBNOSTOD-OSKKVPDPSA-N 398.547 3.434 0 1 GGAF Cc1nn(C2CCN(C)CC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565314 CZUKHOFDTODWQY-UHFFFAOYSA-N 392.906 3.418 0 1 GGAF CCOC(=O)CN1C(=O)CN(CC2CCCCC2)C(=O)c2cc(Cl)ccc21 95561164 ZNVYQDOEMMXORU-UHFFFAOYSA-N 392.883 3.272 0 1 GGAF Cc1cc(N)nc(CCc2cc(CN)cc(CCc3cc(C)cc(N)n3)c2)c1 95582299 JCCJTHWRJDOXTL-UHFFFAOYSA-N 375.520 3.287 0 1 GGAF in-vitro O=C(/C=C/C=C/c1ccc2c(c1)OCO2)OCc1cn(-c2ccccc2)nn1 299867719 YOKOZSYJLXGMHK-REZHQCRGSA-N 375.384 3.309 0 1 GGAF CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O 299878858 JWAXXTVDUIEOLY-OKZBNKHCSA-N 375.469 3.078 0 1 GGAF CC(C)(C)OC(=O)N(Cc1nc2ccc(CCO)cc2[nH]1)C[C@H]1CCCO1 587197024 GRIMZKQSQAFRMZ-OAHLLOKOSA-N 375.469 3.014 0 1 GGAF O=C1c2ccc(O)cc2O[C@@](Cn2cncn2)(C2CC2)[C@H]1c1ccc(F)cc1 587342959 QWFMWDYBRCTIHZ-FPOVZHCZSA-N 379.391 3.331 0 1 GGAF COC(=O)c1cc2[nH]c(-c3cc(OC)n(-c4ccccc4F)n3)nc2cc1OC 587155315 DRPLXOJUARQUQK-UHFFFAOYSA-N 396.378 3.359 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)([C@@H]1[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]41)[C@@H](C2)C3=O 587445303 UPJFSMAQENPDFX-HTPFBYINSA-N 385.460 3.314 0 1 GGAF Cc1cnc2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc2c1 586942944 UOGIJSUSEUVIMT-UHFFFAOYSA-N 385.276 3.094 0 1 GGAF CCOC(=O)C(=O)C[C@]1(C2CCCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440351 GMQZCBAPYAGHAT-OPAMFIHVSA-N 386.444 3.284 0 1 GGAF O=C1C[C@@]2(CN(Cc3ccccc3)C[C@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587517158 ICUPHUXRXQASOZ-RDPSFJRHSA-N 391.467 3.486 0 1 GGAF Brc1c[nH]c2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc-2n1 587043047 XKFSDSRRKYIUQR-JQWIXIFHSA-N 376.283 3.013 0 1 GGAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(N)ccnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239825 OPRGMUTUBPMZNY-GIQGCJHYSA-N 387.484 3.095 0 1 GGAF CC(C)(SCc1nc2cccc(I)c2[nH]1)C(=O)O 586960021 UXBSEKIENLPFKH-UHFFFAOYSA-N 376.219 3.264 0 1 GGAF Cc1ccn(-c2ccc(C(C)(C)C)cc2)c(=O)c1N1CCc2nc(N)ncc2C1 1772642447 RTWSMUWYQSGKQI-UHFFFAOYSA-N 389.503 3.378 0 1 GGAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)c(F)c3)nc(CO)c12 1772631520 YRSXQZKMJYVJEC-MRVPVSSYSA-N 393.806 3.134 0 1 GGAF CC(=O)O[C@@H]1C[C@H]2C(=O)O[C@@H](c3ccoc3)C2=C(C)[C@H]2CCC=C3C(=O)OC[C@]312 5497495 AAESZUTUGQRGAR-GQESYPMCSA-N 398.411 3.025 0 1 GGAF CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Sc1ccccc1)C(=O)O 5962739 FEHORUPRKICMFK-GOEBONIOSA-N 396.509 3.245 0 1 GGAF COc1ccc2c(c1)C[C@@H](CN1CCN(c3ccccc3OC)CC1)CC2=O 13589194 MQXFERLTNJGIPG-QGZVFWFLSA-N 380.488 3.271 0 1 GGAF O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C\COc2ccc1c(Cl)c2 169313211 KBMXMIHYKVQSHP-LPQSXRFUSA-N 387.819 3.093 0 1 GGAF O=C(NCCC(F)(F)F)c1csc(N2CCN(Cc3ccccc3)C2=O)n1 205215337 OWCDKTOGYKQFNC-UHFFFAOYSA-N 398.410 3.268 0 3 GGAF O=C(O)[C@H](Cc1ccccc1)N[C@@H](c1ccco1)c1nnnn1C1CCCCC1 1857546689 AGPYNGKUBTTWDZ-HKUYNNGSSA-N 395.463 3.146 0 1 GGAF Cn1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cn1 1857556903 SHKUAPXRIWEEIV-UHFFFAOYSA-N 390.852 3.127 0 1 GGAF COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC)CO2 40919013 UDLJLNRWCLIJTM-HNNXBMFYSA-N 379.416 3.284 0 1 GGAF COCCN1C(=O)[C@H]2C[C@@H](CN2Cc2ccccc2Cl)Oc2ccccc21 2356298913 KDNOEDBLRYPKSM-QFBILLFUSA-N 386.879 3.355 0 1 GGAF CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCO)cc1 4039758 VBAFNRBKJAHJQU-IRLDBZIGSA-N 395.503 3.076 0 1 GGAF COc1ccc(N2C[C@H](CN3CCC(O)(c4cccs4)CC3)OC2=O)cc1 29414709 PDLWLQQWRZLWIZ-KRWDZBQOSA-N 388.489 3.066 0 1 GGAF O=c1cc(Cn2c(C3CC(F)(F)C3)nc3nccnc32)c2cccc(F)c2[nH]1 72110224 ARLMOCASJYQODY-UHFFFAOYSA-N 385.349 3.368 0 1 GGAF COc1cc2c(cc1OC)[C@@H]1Cc3cc(OC)c(OC)c(OC)c3CN1CC2 39289600 OATNPFCRHKFZPA-KRWDZBQOSA-N 385.460 3.385 0 1 GGAF Fc1ccc(Br)c(OC2CCN(c3ncc4[nH]cnc4n3)CC2)c1 72126077 OWXPVKGFHSCKKN-UHFFFAOYSA-N 392.232 3.302 0 1 GGAF O=C1c2ccccc2-n2nncc2[C@@H]2c3cc(Br)ccc3CCN12 72104343 AOFVBEFXQYYTAU-KRWDZBQOSA-N 381.233 3.131 0 3 GGAF Cc1nnc(SCc2ccccc2Cl)n1N1C(=O)c2ccccc2C1=O 84708924 RAGPQQHRFPBWHZ-UHFFFAOYSA-N 384.848 3.464 0 1 GGAF CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1CCNC(=O)CN(C)C 72126154 PYIOPAPWQWWKQU-NRFANRHFSA-N 384.911 3.473 0 1 GGAF biogenic CN(C)S(=O)(=O)c1ccc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)o1 586931097 KMOZWIKFUHETHN-UHFFFAOYSA-N 377.319 3.231 0 1 GGAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587773885 RWCADXQQLUPVJK-FVMDXXJSSA-N 379.229 3.393 0 1 GGAF O=C1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 587610027 OQMWDCGXXZSBKV-KNQAVFIVSA-N 390.347 3.264 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(-c3ccccc3)cc1)(C(O)O)O2 587403744 LKBONCIHQHCVKN-QHCPKHFHSA-N 375.424 3.416 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(c2ccccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440889 IKPAZMSOCOLNKT-HXOBKFHXSA-N 394.423 3.169 0 1 GGAF COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 587770940 KZDGXAKWKFAXCB-FVMDXXJSSA-N 379.229 3.393 0 1 GGAF Oc1ccc(C2(c3nc4ccc(CN5CCOCC5)cc4[nH]3)CCOCC2)cc1 586913524 MTUCKEHARNZANL-UHFFFAOYSA-N 393.487 3.197 0 1 GGAF COC(=O)c1cnc([C@@]2(C)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)s1 962574145 SWXRYKBEHDBQEI-NSPYISDASA-N 376.478 3.087 0 1 GGAF Cn1cccc1CN1CCc2sccc2[C@]12CCCC[C@@H]2S(C)(=O)=O 962399443 PTNCOIOBIPCBML-OALUTQOASA-N 378.563 3.327 0 1 GGAF CC(C)(C)C[C@H](O)C(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2(C)C 1772637042 RJMICFNYKBVTGB-NSHDSACASA-N 382.526 3.169 0 1 GGAF Cc1cc(C)cc(SCc2noc(C(=O)NC[C@@H]3CCCO3)c2C(=O)O)c1 13478167 NLXRLTYPYZVDBZ-ZDUSSCGKSA-N 390.461 3.191 0 3 GGAF CCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@H]1c1ncc(F)cc1F 1857747328 FBSNUOCPYSSOKO-OAHLLOKOSA-N 390.415 3.231 0 1 GGAF Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccc(Br)cc1 2523971 OCOCGYPKPMHYOK-UHFFFAOYSA-N 383.315 3.251 0 1 GGAF CCOc1ccccc1N(C)C(=O)Cn1ncc2c3ccccc3nc-2c1O 101799902 WDWGAXLQLYVXLZ-UHFFFAOYSA-N 376.416 3.303 0 1 GGAF CC1=C[C@H](CNS(=O)(=O)Cc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)O 2356861406 UIQLFVSJCKDAPF-OTWHNJEPSA-N 379.522 3.435 0 1 GGAF O=C(O)c1ccc2c(c1)S(=O)(=O)N=[S@]2c1ccc(Br)cc1 73196370 DWKUJVDGSWNBOP-HXUWFJFHSA-N 386.248 3.070 0 1 GGAF COC(=O)c1c(Cc2ccccc2)n(O)c2cc(Cl)c(Cl)cc2[n+]1=O 137261724 AEQZFTAPCSEINN-UHFFFAOYSA-N 380.207 3.477 0 1 GGAF Cn1ncc(Cl)c1[C@@H]1N=C(Nc2nc3ccccc3o2)NC2=C1C(=O)CCC2 139364107 JQEYWPMRWCRGEE-MRXNPFEDSA-N 396.838 3.334 0 1 GGAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccccc3)n2)C1 82132662 BAHOWVSSJFYVAK-IAGOWNOFSA-N 380.492 3.098 0 1 GGAF COc1ccc(CCNc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)cc1OC 82204231 IGQDVUYITXPSJN-IYBDPMFKSA-N 386.496 3.070 0 1 GGAF c1csc(C[C@@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1 199431461 XCEVSMDYASJOMM-INIZCTEOSA-N 395.532 3.382 0 1 GGAF Cc1ccc(CNc2ncc(C(=O)N3CCOCC3)c(-c3ccc(F)cc3)n2)o1 82136314 RQLDGVLKAKHYOE-UHFFFAOYSA-N 396.422 3.269 0 1 GGAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC(C)(C)CO)cn1 142079663 BKFHVPJRLKKUSD-UHFFFAOYSA-N 395.459 3.372 0 1 GGAF Cc1coc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)n1 149095088 IURMBUSIFNQOEX-UHFFFAOYSA-N 399.454 3.410 0 1 GGAF Cc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)C3=O)ccc12 147354003 BEJOXGNWTAVWDK-UHFFFAOYSA-N 375.476 3.328 0 1 GGAF COc1ccccc1C(=O)N1C[C@@H]2CN(c3nccc(-c4ccccc4)n3)[C@H]2C1 261120054 JKDJAMNOQDSZFM-XLIONFOSSA-N 386.455 3.113 0 1 GGAF CCS(=O)(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 586914168 VHEBGKZXBJVCEH-UHFFFAOYSA-N 386.473 3.159 0 1 GGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccc(OC)c2[nH]1 586965403 PRSSYFUTMDNRDL-UHFFFAOYSA-N 383.481 3.028 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc3c(c1)CCC(=O)N3)CC2=O 587482888 KDXAOJLOIPVLEC-JOCHJYFZSA-N 395.411 3.175 0 1 GGAF O=C1COc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 587592833 HLTOQPGJOKKDMY-DENIHFKCSA-N 389.363 3.426 0 1 GGAF CC1=C[C@@]2(C=C(C(=O)O)N1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587757271 GRDSUNVQNOSPEB-XYZCENFISA-N 381.245 3.135 0 1 GGAF Cc1c(-c2ccc3c(O)nc(O)nc3n2)cnn1-c1ccc(C(F)(F)F)cn1 587368513 RMQWJGJYGXRPBM-UHFFFAOYSA-N 388.309 3.011 0 1 GGAF CCOC(=O)C[C@@H]([C@@]1(C)NCCc2c(C)ccnc21)P(=O)(OCC)OCC 963078037 WHGDVBLJFYYJFF-QFBILLFUSA-N 398.440 3.339 0 1 GGAF CN(C)C[C@@H](O)COc1ccc(Nc2ncc(F)c(Nc3ccccc3)n2)cc1 13538070 AANGHTIVIZOGHR-QGZVFWFLSA-N 397.454 3.404 0 1 GGAF CN1[C@@H](C(=O)NCC2CC2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 13660705 OMJFUEODJCESQQ-UHNFBRDESA-N 379.291 3.244 0 1 GGAF CS(=O)(=O)Nc1cc2c(cc1Sc1ccc(C(=O)O)cc1)C(=O)CC2 13744812 NHNVMDXHFDMOPP-UHFFFAOYSA-N 377.443 3.036 0 1 GGAF CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(OC(F)F)cc3)c12 169697399 NAMFLVVJJUUFER-UHFFFAOYSA-N 385.378 3.143 0 1 GGAF COC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1[C@]21N=C(N)N(C)C1=O 169700416 RYMHRRJVTCOMJD-UWFXLKAESA-N 383.536 3.389 0 1 GGAF CC(=O)Oc1cccc(C(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@@H]3C2)c1C 205220417 XDUZGCQPACIVQR-UYAOXDASSA-N 378.428 3.104 0 3 GGAF COc1ccccc1COC(=O)[C@H]1C=NN2c3cc(Cl)ccc3[N+]([O-])=N[C@H]12 100930769 AQKFCEWRKDXGMK-GUYCJALGSA-N 386.795 3.448 0 1 GGAF CCC(=O)N1CCc2c(sc3ncnc(N[C@H](CO)c4ccccc4)c23)C1 64512576 OMFRMCHLPTWYNH-OAHLLOKOSA-N 382.489 3.132 0 1 GGAF COCC[C@@H](CC1(C(=O)NCCc2ccc(OC)cc2)CCCC1)C(=O)O 28640725 UWIOFSIOIWRCQW-KRWDZBQOSA-N 377.481 3.042 0 1 GGAF COCCNC(=O)[C@@]1(C)CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 61927779 WPKJZFJUJUUXFK-IBGZPJMESA-N 393.940 3.438 0 3 GGAF CCCCN([C@H](CO)C(C)C)S(=O)(=O)c1ccccc1Br 61944688 BCUXLFBWRVMTLY-CQSZACIVSA-N 378.332 3.257 0 3 GGAF O=C(Nc1ccc(F)c(OCCCN2CCOCC2)c1)NC1CCCCC1 43020171 BYTXNLYBKGFPPQ-UHFFFAOYSA-N 379.476 3.381 0 1 GGAF Brc1cccc(CN[C@@H]2[C@H]3[C@@H]4[C@@H]5C[C@@H]3[C@@H]3[C@@H]5[C@H]([C@H]23)C42OCCO2)c1 195293488 WAUBOCWMTBAXMK-UWQGJTCRSA-N 388.305 3.038 0 1 GGAF CCOC(=O)c1c(-c2ccc3c(c2)OCO3)[nH]c2cc(OC)c(F)cc2c1=O 95556146 DOZLEHUEJAQJNJ-UHFFFAOYSA-N 385.347 3.248 0 1 GGAF COc1cc(-c2cn[nH]c2)cc2c(=O)[nH]c([C@@H](N)c3ccc(Cl)cc3)nc12 95587833 MPBXAFKZGHQKPT-INIZCTEOSA-N 381.823 3.023 0 1 GGAF CC(=O)O[C@@H]1O[C@H]2OC(=O)C[C@@H]1[C@@H]2[C@]1(C)CCC2=C([C@@H](O)CCC2(C)C)[C@H]1C 145351442 NCFPCQOZRDZFNU-QRECLRLESA-N 392.492 3.325 0 1 GGAF COc1cc(-c2cn[nH]c2)cc2c(=O)[nH]c([C@H](N)c3cccc(Cl)c3)nc12 95590035 GVOJSDSHNFLVIW-MRXNPFEDSA-N 381.823 3.023 0 1 GGAF CN(C)c1ccc(-c2nc3cc(OCCOCCOCCF)ccc3o2)cn1 95572300 HBTICVCIITXGRS-UHFFFAOYSA-N 389.427 3.337 0 1 GGAF COc1ccc(OC)c(Sc2nn3c(-c4cnn(C)c4)nnc3cc2C)c1 299828253 HUMORWWJVFKVPB-UHFFFAOYSA-N 382.449 3.002 0 1 GGAF O=C(O)c1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)s1 299870309 WBYHRCNDAGVNMJ-UHFFFAOYSA-N 384.461 3.144 0 1 GGAF O=S(=O)(Oc1cc(-c2ccccn2)[nH]n1)c1ccc(Br)cc1 653880674 QDKVALKRTQQEMS-UHFFFAOYSA-N 380.223 3.002 0 1 GGAF COC(=O)C[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587770514 AKABCSAPLFPAIT-ADLMAVQZSA-N 393.256 3.324 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)CCO)nc2)N1 587740887 LIDAVZKDNREBDT-BBATYDOGSA-N 394.288 3.035 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](Cn1cccnc1=O)(c1ccccc1)CC2=O 587487806 OAVRFIWVMOVKJY-QHCPKHFHSA-N 390.439 3.462 0 1 GGAF C[C@@]1(c2nc3cc(Br)cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587171791 BHVTXDMEABYSKC-INIZCTEOSA-N 376.185 3.488 0 1 GGAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Br)c(F)c(F)c2[nH]1 587256923 VKPPVOKYEZAVHV-MRVPVSSYSA-N 390.228 3.205 0 1 GGAF COc1ccc([C@]2(CO)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600544 OIBRVZJKPUIHMR-KNQAVFIVSA-N 378.380 3.250 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1COC[C@H]2CC(C(=O)O)C1 587836382 UAJQNSPGRJQKBD-RDNZYYSPSA-N 398.272 3.075 0 1 GGAF CCOC(=O)[C@@H](Cc1c(F)cccc1Cl)c1ccc2c(O)nc(O)nc2n1 587368699 VQGMOBXBHLSNKV-NSHDSACASA-N 391.786 3.118 0 1 GGAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 587235263 JNEOIQCISAIMPP-ZIAGYGMSSA-N 383.456 3.090 0 1 GGAF COc1ccc(CN2CC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)CC2=O)cc1 587394762 ISVFPKKLZLLEDK-QFIPXVFZSA-N 380.444 3.112 0 1 GGAF COC(=O)c1noc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587219 MXLCLTCYCYJSLZ-HRAATJIYSA-N 395.367 3.352 0 1 GGAF COc1ccc(OC)c(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587386471 JKSLNUPYVZPCIJ-NRFANRHFSA-N 384.432 3.347 0 1 GGAF CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(OCC(=O)O)=CO1 587831155 GXKRUEHOHBILAB-XYZCENFISA-N 398.228 3.194 0 1 GGAF CC(C)(C)CCCNC(=O)[C@@H](CCC(=O)O)NC(=O)c1cnc2ccccc2c1 13447229 RTXDHERSXBBNIA-GOSISDBHSA-N 399.491 3.141 0 1 GGAF Cn1c(CN2CCN(c3ccccc3Cl)CC2)ccc1CN1CCCC1=O 13449359 RIWSLMCCDAXDQC-UHFFFAOYSA-N 386.927 3.123 0 1 GGAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cc(C)[nH]n1 13559131 VIFOYOOWJOFKQM-AWEZNQCLSA-N 380.489 3.191 0 1 GGAF CN(C)CCN(C)c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 169316141 XVPOWQUSBVIXPP-UHFFFAOYSA-N 394.910 3.270 0 1 GGAF C[C@H]1SC(N)=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3cnn(C)c3)C[C@@H]12 169708477 AWKVMOUMPQXDPO-NPQNXCPHSA-N 378.448 3.121 0 1 GGAF COc1ccc(-c2cnc3cnc(-c4cccc(NS(C)(=O)=O)c4)cn23)cc1 1857588384 ARGNAVQIMJMHAK-UHFFFAOYSA-N 394.456 3.443 0 1 GGAF CCc1c(-c2ccc3c(c2)cc(CNC(C)(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O 142694037 FUTKEHOEWOLASX-UHFFFAOYSA-N 397.475 3.388 0 1 GGAF COc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 4659925 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CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)NC)cc1)CC2=O 587487049 MSSCTWZDMTZSLY-HXUWFJFHSA-N 389.473 3.133 0 1 GGAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 586951773 YYKVCVVXVHCAHL-UHFFFAOYSA-N 378.266 3.068 0 1 GGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)cc1 586939705 RPRSKPZPENLOII-DIFFPNOSSA-N 387.465 3.030 0 1 GGAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(S)nc(S)nc2[nH]1 587166897 DDWMPAVTQOAGBG-JTQLQIEISA-N 390.469 3.438 0 1 GGAF COc1cc2c3c(c1)O[C@@](CCn1cncn1)(c1ccc(C)cc1)[C@@H](C2)C3=O 587430805 HFTRPUHAUZZYMS-AVRDEDQJSA-N 375.428 3.328 0 1 GGAF N[C@H]1[C@@H]2CN(C(=O)c3ccc4cc(Oc5ccc(C(F)F)cn5)ccc4n3)C[C@H]12 1772646690 GBYTZSPUBIHEPS-QWHZDKJVSA-N 396.397 3.389 0 1 GGAF CN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc21 13745307 QGXZZFITMZBWLW-UHFFFAOYSA-N 384.827 3.455 0 1 GGAF O=C(O[C@H]1CCc2ccccc21)N1CCC2(CC1)C(=O)NCN2c1ccccc1 13864311 SCVQVEVLACTYJB-FQEVSTJZSA-N 391.471 3.239 0 1 GGAF COc1ccc(NC(=O)C(C)(C)n2cc(-c3nc(C)cnc3C)cn2)cc1OC 205233998 YJNMSOFWWMHRLB-UHFFFAOYSA-N 395.463 3.348 0 3 GGAF NCCCCNCCCCNCCCCN1C(=O)c2cccc3cccc1c23 1857537985 MPNILFMCBHDEDD-UHFFFAOYSA-N 382.552 3.279 0 1 GGAF COc1ccc(CCNc2c(-c3cnc(C)[nH]3)nc3cnccn23)cc1OC 1857594080 LKTTUTOUYUZCJL-UHFFFAOYSA-N 378.436 3.100 0 1 GGAF CS(=O)(=O)c1nc(-c2cc(Cl)cnc2Oc2ccc(Cl)cc2)n[nH]1 1857752847 NXPHBKCWXPMEDD-UHFFFAOYSA-N 385.232 3.369 0 1 GGAF COC(=O)c1ccc(O)c(-c2nc3ccccc3c(=NCc3cccnc3)[nH]2)c1 1857760570 BCYOPZGXQUMCPD-UHFFFAOYSA-N 386.411 3.218 0 1 GGAF O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl 4310384 SMFPZNYICPEUBM-DOTOQJQBSA-N 397.233 3.333 0 1 GGAF O=c1c(Cc2cccs2)cc(-c2ccccc2)nn1CCCN1CCOCC1 103221928 SWWBHSVMROLZGA-UHFFFAOYSA-N 395.528 3.285 0 1 GGAF CCC[C@@H](CC1(C(=O)N[C@H]2CC[C@@H](C(=O)N(C)C)CC2)CCCC1)C(=O)O 101057940 BFHMTMVYWRPPAG-ULQDDVLXSA-N 380.529 3.201 0 1 GGAF Cc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3C[C@@H](O)CF)nc2n1 117875295 IPLXQNRTKMSKRF-INIZCTEOSA-N 399.495 3.387 0 1 GGAF Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc3[nH]ccc3c2)C1 28959575 APIXJNPBVWBSKY-GOSISDBHSA-N 387.480 3.168 0 1 GGAF CC(=O)OCC1=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 2356484193 LMKZVXRITQUETB-ORDMVQLLSA-N 394.508 3.466 0 1 GGAF COCCN(CCOC)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C 28360363 HUYHONVFYVPCQM-UHFFFAOYSA-N 385.508 3.349 0 1 GGAF CCOC(=O)C(=C(O)c1ccc([N+](=O)[O-])cc1)n1c(C)[n+](C)c2ccccc21 32067899 QKCWZAXVRSILSX-UHFFFAOYSA-O 382.396 3.129 0 1 GGAF COc1cncc(-c2ccc3nc(NC(=O)NCCc4cnc[nH]4)sc3c2)c1 219243833 WZPLCQSBXZINOK-UHFFFAOYSA-N 394.460 3.454 0 1 GGAF Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccs1)CC3 82195984 HGZZPRXJOIAUPR-UHFFFAOYSA-N 390.468 3.189 0 1 GGAF COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC)c(Cl)c2O)cc1O 85996178 GDPPRRCJQDFVMZ-UHFFFAOYSA-N 380.780 3.382 0 1 GGAF COc1cc2nc(N3CCc4ccccc4C3)nc(NC[C@@H](C)O)c2cc1OC 82129047 YXONPWIWPVXSRU-CQSZACIVSA-N 394.475 3.002 0 1 GGAF CN1CCN(C(=O)Nc2ccc3c(c2)[C@H](NC(=O)c2ccccc2)CCC3)CC1 223254916 QTWWLOSRVGQGNN-OAQYLSRUSA-N 392.503 3.273 0 1 GGAF in-vitro Cc1c(C2=C[C@H](c3ccc(F)cc3)NC(=S)N2)nnn1Cc1ccccc1 95572390 NWHJHLLVCNIIAI-QGZVFWFLSA-N 379.464 3.334 0 1 GGAF CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(N)c3)cc21 95560827 AHEPLJCXAPDAJN-KRWDZBQOSA-N 396.443 3.098 0 1 GGAF COC(=O)[C@]1(c2cccc(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 587378557 VOOGWDYGQCIUBX-GOSISDBHSA-N 390.233 3.373 0 1 GGAF FC(F)(F)c1ncc2nc(C(F)(Br)Br)nc-2[nH]1 587088103 IVPCRDCGOJQVFN-UHFFFAOYSA-N 377.921 3.193 0 1 GGAF COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1C[S@@](=O)CC(=O)O 587216501 CMCRYICEQIXLDB-HHHXNRCGSA-N 381.453 3.342 0 1 GGAF COc1ccc(OC)c(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c1 587650731 SDAPCKGMENFWIU-UHFFFAOYSA-N 388.445 3.149 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cnc3c1OCCO3)O2 587372030 NTXFNPHHNBATIE-CYBMUJFWSA-N 391.221 3.212 0 1 GGAF CCOC(=O)C(=O)[C@@H]1CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587799905 UUFHHWHSPKVPMX-RSNWOKGLSA-N 398.272 3.250 0 1 GGAF Nc1cccc(O)c1-c1nc2c(Br)cnc(Br)c2[nH]1 587250864 UAMUJOMGHGXPEG-UHFFFAOYSA-N 384.031 3.438 0 1 GGAF CCOC(=O)C(=O)C[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515535 PKAMFHPMHYNHTE-QHCPKHFHSA-N 393.439 3.343 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1NC(=O)CCC(=O)O)[C@@H](C2)C3=O 587433585 SJYWLNAKERHZHA-OYHNWAKOSA-N 395.411 3.161 0 1 GGAF COc1cncc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587002913 HYOFYMOOZDTNAL-SECBINFHSA-N 388.221 3.364 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NC(=O)C(C)(C)C 587870074 VSSZIUZIWRKMIR-UHFFFAOYSA-N 386.399 3.268 0 1 GGAF COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1OC(F)(F)F 963471019 MNSVZKNEHLCPAV-SJCJKPOMSA-N 397.349 3.296 0 1 GGAF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c(C)n1Cc1ccncc1 962894450 JHGJSAVWDRMAMN-SFTDATJTSA-N 379.435 3.376 0 1 GGAF O=C(NCC1CC1)c1onc(CSc2ccccc2)c1C(=O)NCC1CC1 12477629 SRHZVFHZJYSUOR-UHFFFAOYSA-N 385.489 3.247 0 3 GGAF COc1cc2nc3c(c(N)c2cc1OC)CC[C@H](CNC(=O)c1ccccc1)C3 13528637 NMJHFHBUIVGITI-AWEZNQCLSA-N 391.471 3.369 0 1 GGAF COc1ccc(-c2nc3cnc(OC)nc3n(Cc3ccc(F)cc3)c2=O)cc1 4238246 LSZNTYYDGMZAQA-UHFFFAOYSA-N 392.390 3.058 0 1 GGAF Cc1ccc2c(n1)CC[C@@H]2NC(=O)COc1cc(C)c2c(C3CC3)nn(C)c2n1 117511500 FVNQXXWGMZMSAA-KRWDZBQOSA-N 391.475 3.040 0 1 GGAF Cc1ccc2c(c1)CN(CC(=O)NC1CCOCC1)C[C@H](c1ccsc1)O2 39360141 SEBPELBSSLLBSY-HXUWFJFHSA-N 386.517 3.287 0 1 GGAF C/C=C/S(=O)(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1 218987421 KYENMINJJCKMNI-FPYGCLRLSA-N 386.433 3.077 0 1 GGAF c1csc(C[C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1 199431435 XCEVSMDYASJOMM-MRXNPFEDSA-N 395.532 3.382 0 1 GGAF CC(C)OCCCNC(=O)CCCNc1nc(-c2cc(O)cc(O)c2)cs1 82195745 QHHWBNDQZXHJQX-UHFFFAOYSA-N 393.509 3.345 0 1 GGAF COC[C@H]1CCCN1c1cc(Nc2nccs2)nc(-n2nc(C)cc2C)n1 95922006 XDYKDWJFSMJUFV-CQSZACIVSA-N 385.497 3.094 0 1 GGAF CCc1cc2c(cc3c(=O)n(CC(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)ncn32)s1 250535272 WXLHPRCCYZJNIP-UMVBOHGHSA-N 386.521 3.214 0 1 GGAF COc1ccc(-c2cccc(C(=O)N[C@@H](CO)Cc3ccccc3)n2)cc1OC 621429345 KVQAITUWFGXWFB-GOSISDBHSA-N 392.455 3.099 0 1 GGAF CCCNc1nc(C)c(-c2nc3ccccc3s2)c(N[C@@H]2CC[C@@H](O)[C@H]2O)n1 299870896 XCFDBQKWISPVLM-CPUCHLNUSA-N 399.520 3.180 0 1 GGAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c(N)ncnc3[nH]2)c1 587147973 WIEGAXWUAYMUKP-UHFFFAOYSA-N 379.351 3.115 0 1 GGAF C[C@]1(c2cccc(C(=O)O)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589294 ULCCBJMOXZIQLN-LAUBAEHRSA-N 377.352 3.362 0 1 GGAF COC(=O)c1ccnc2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc12 587220372 AVTAAAPCUIDNBT-QGZVFWFLSA-N 386.411 3.264 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn3cccnc3n2)N1 587775548 RQNMAOMRUILLSA-BTDLBPIBSA-N 375.245 3.429 0 1 GGAF C[C@@]1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174965 UCPDIFUFXODFAY-QFIPXVFZSA-N 395.434 3.163 0 1 GGAF CCCN=c1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 587758511 XVTSKBXRVAUOQH-MGPLVRAMSA-N 379.277 3.246 0 1 GGAF CCn1cc(Br)c(Cc2nc3ccnc(Br)c3[nH]2)n1 587002200 XLVLTJHERHPWRQ-UHFFFAOYSA-N 385.063 3.290 0 1 GGAF Oc1cc(O)nc(SCc2nc3cc(Br)c(F)c(F)c3[nH]2)n1 586966790 NIHVIUZKXZYWCE-UHFFFAOYSA-N 389.181 3.097 0 1 GGAF COC(=O)[C@H]1CC2(CC[C@@]13NCCc1c(Cl)cc(Cl)cc13)OCCO2 963117219 XVRJSZDKYSNNET-KDOFPFPSSA-N 386.275 3.051 0 1 GGAF CCNC[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)C1 5843434 QPYPHVIKUCZQIL-ZDUSSCGKSA-N 389.471 3.030 0 1 GGAF NC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc(O)cc4)CC3)c2c1 13582430 VXYWRBIWAVBFCQ-UHFFFAOYSA-N 392.503 3.117 0 1 GGAF COc1cc([C@H]2OC[C@@H]3[C@@H](c4cc(OC)c5c(c4)OCO5)OC[C@H]23)ccc1O 14641323 DWGKMGKTDBRQJE-AFHBHXEDSA-N 386.400 3.213 0 1 GGAF CN(C)[C@H]1CCCN(CCCc2c(O)ccc3[nH]c(=O)c4sccc4c23)C1 165147021 DNRFMSJVTXHVCU-AWEZNQCLSA-N 385.533 3.407 0 1 GGAF Cc1nc([C@@H](NC(=O)c2ccc(C(F)(F)F)c(OCC3CC3)n2)C2CC2)no1 207736200 QJXIDJTYVUOGKY-AWEZNQCLSA-N 396.369 3.462 0 1 GGAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)N[C@H]4CCc5ncccc54)c(=O)n1c23 1857563740 HPCUWKZSSJYKGG-GTNSWQLSSA-N 393.418 3.166 0 1 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NC[C@@H](O)CC 4151919 OFOIALDYHPDZDC-LRQRDZAKSA-N 382.460 3.064 0 1 GGAF C[C@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1C[C@@H]1CCCO1 20386835 PJVZTKJPTSFEAR-WMZHIEFXSA-N 384.520 3.462 0 1 GGAF O=C(C(=O)N1CCC[C@H](C(=O)OCc2ccccc2)C1)c1c[nH]c2ccccc12 28770935 YINBZIQMPAZHMF-KRWDZBQOSA-N 390.439 3.333 0 1 GGAF CCc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1 29044591 FIDZTZACZGCKKZ-UHFFFAOYSA-N 399.438 3.174 0 1 GGAF CC(C)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4COC(=O)[C@H](C)O)[C@]3(C)CC[C@@]2(C)CC1 2356483547 OKWCARPZJVGRQP-NTRGCPOVSA-N 390.520 3.497 0 1 GGAF CC(=O)O[C@]12CC=C(C)C=C[C@@]13CC[C@H]2[C@@](C)(C=CC=C(C)C(=O)O)OC3=O 2356776108 DMDYDVXEMCPQPC-XGARDCMYSA-N 386.444 3.494 0 1 GGAF NC(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)c1 34285196 ZVQZIVCQLFGXFZ-UHFFFAOYSA-N 383.795 3.445 0 1 GGAF in-vivo CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(N)(=O)=O)CC[C@@H]12 35079715 IUFDJFQKPDSMQD-SSGANFLRSA-N 379.522 3.399 0 1 GGAF CC(C)Cc1cc(-c2oc3cc(O)cc(OCCO)c3c(=O)c2O)ccc1O 85569471 JOONRNNIBRATNC-UHFFFAOYSA-N 386.400 3.146 0 1 GGAF biogenic,in-vitro CCOc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCCCOC)n2)cc1 82195957 ZDDJYCXRISGZSQ-SFHVURJKSA-N 389.521 3.330 0 1 GGAF Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)N2CCSCC2)cn1 141140677 XTPUBIDJCVFUPG-UHFFFAOYSA-N 396.472 3.208 0 1 GGAF COc1nc(-c2cccc3ncccc23)nc(=NCCc2ccc(F)cc2)[nH]1 473162789 MPPDLNMGISUZGG-UHFFFAOYSA-N 375.407 3.311 0 1 GGAF COc1cc2[nH]cc(C(=O)c3cc(OC)c(OC)c(OC)c3N)c2cc1OC 653715534 YRNUBQNVYGAWDA-UHFFFAOYSA-N 386.404 3.024 0 1 GGAF Cn1cc(-c2ncc(-c3nc4c(F)cnc(Br)c4[nH]3)s2)cn1 587021521 KVNIGRJOGWPSAO-UHFFFAOYSA-N 379.218 3.384 0 1 GGAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O[C@H](C)C(=O)O 587438277 DTRDQCJBELNWAK-GKABBXAVSA-N 398.411 3.435 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3nn[nH]n3)c2)N1 587797295 RPFFOGHHIVVFJH-ABKXIKBNSA-N 388.244 3.392 0 1 GGAF CC(=O)c1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C 587763721 LQEAVOFRVOFLCZ-VVVCHXIZSA-N 380.261 3.322 0 1 GGAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587093478 FHCRZXKGXURSCV-GSVOUGTGSA-N 375.660 3.106 0 1 GGAF CC(C)(C)OC(=O)NCCc1cc2c(O)nc(O)nc2nc1-c1ccccc1 587552654 BJHHJAHVKVPOIQ-UHFFFAOYSA-N 382.420 3.170 0 1 GGAF O=C1C=CC(=O)N1c1ccc(CC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587876333 QYZPXPUTACTOGM-UHFFFAOYSA-N 389.342 3.107 0 1 GGAF CN1CCc2c(Br)cccc2[C@@]1(CC(=O)c1ccn(C)n1)C(F)F 963280851 QCJBZPNXPTUFFS-KRWDZBQOSA-N 398.251 3.404 0 1 GGAF O=C(Nc1ccccc1)c1cc2n(n1)CCCN(C(=O)c1occc1Cl)C2 1772632268 YOAQRNJKTZXKAJ-UHFFFAOYSA-N 384.823 3.428 0 1 GGAF CCOc1ccc2nc(N3CCC[C@H](C(=O)NC[C@@H]4CCCO4)C3)sc2c1 5105759 GKZXSAISVVNISS-HOCLYGCPSA-N 389.521 3.207 0 3 GGAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2C(F)(F)F)c1 169707029 SVUBLYCTTBTAMX-ZDUSSCGKSA-N 380.370 3.054 0 1 GGAF COc1ccc(OC)c(CN2C(=O)CCC[C@@]2(C)c2nnnn2C2CCCC2)c1 203465237 DNAYUAJXULMMPD-NRFANRHFSA-N 399.495 3.233 0 3 GGAF Cc1cccc(C2=NN(C(=O)COc3ccccc3)[C@](O)(C(F)(F)F)C2)c1 1857751856 AWQRXFYJXIFZGL-GOSISDBHSA-N 378.350 3.261 0 1 GGAF Cc1c(C(=O)N2CCCC2)oc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc12 2459682 XZQDEEAFEGNQEN-CQSZACIVSA-N 390.505 3.398 0 1 GGAF Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(-c4ccccn4)cc3c12 28523733 DCMPIIIJXBLSKW-UHFFFAOYSA-N 382.427 3.166 0 1 GGAF CCCOc1ccc([C@@H]2O[C@@H](c3c[nH]c4ccccc34)C(=O)N[C@H]2CO)cc1 2356784340 OGAWCPDFNFONNX-ACRUOGEOSA-N 380.444 3.246 0 1 GGAF CS(=O)(=O)Nc1ccc(-c2cc(-c3ccccc3)cc(C(N)=O)c2O)cc1 34893168 ZSVIQVKJYLZYED-UHFFFAOYSA-N 382.441 3.197 0 1 GGAF CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C 218978232 YEIYTNALFFTPHD-KKLQWCBXSA-N 384.520 3.234 0 1 GGAF COC(=O)C1=C2C=C(C)OC=C2[C@@](C)(O)C1=CC(=O)[C@@H](C)CCCCCCO 14696176 WGHKHGDABDZHGB-FPTDNZKUSA-N 390.476 3.113 0 1 GGAF biogenic CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccc1F)C(C)C 43154485 OWFALUNDSZEADU-PBHICJAKSA-N 381.448 3.195 0 1 GGAF in-vitro COc1ccc([C@H]2CC(c3ccc4c(c3)OCO4)=Nc3c(N)ncnc3N2)cc1 42878026 UVMUOJRRNRWFSH-OAHLLOKOSA-N 389.415 3.474 0 1 GGAF COc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)ccc1OCC(=O)N1CCCC1 653878529 YYZMKKMVZQTXQS-YVLHZVERSA-N 396.418 3.328 0 1 GGAF CCOc1ccc(-c2nn(C(=S)NC)c(=O)c3ccccc23)cc1OCC 587671026 NVKLQQSYZUHQRI-UHFFFAOYSA-N 383.473 3.213 0 1 GGAF CCOc1n[nH]c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1Cl 587064560 CMHCZHKPHNGESY-UHFFFAOYSA-N 394.762 3.299 0 1 GGAF COC(=O)C[C@]1(c2ccc(OC)cc2OC)CC(=O)c2cc(C)cc(N)c2O1 587400667 RYCGSJSGVKEODG-NRFANRHFSA-N 385.416 3.018 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(Cc2ccccc2)C[C@@H]1C(=O)O 587479943 VQJPMSZONWWGFI-JPYJTQIMSA-N 395.455 3.265 0 1 GGAF CC(=O)Nc1ccc([C@@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587387193 NWVNGXKAUZFRPJ-DGSRBQDKSA-N 379.460 3.472 0 1 GGAF CCN(CC)c1ccc(-c2nn(C(=O)C(C)(C)O)c(=O)c3ccccc23)c(O)c1 587667620 QUYQAKRBNGUKBU-UHFFFAOYSA-N 395.459 3.026 0 1 GGAF CC[C@@H](c1nc2c(C)nccc2[nH]1)n1cc(I)c(C)n1 587185279 QVGQYMMZUNJXGN-LBPRGKRZSA-N 381.221 3.375 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnc2C(=O)O)N1 587769054 MJCLMIIWCYBOIN-XLFHBGCDSA-N 379.229 3.479 0 1 GGAF CCOc1ccc([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cn1 962672970 USAXFVCCCNDQDV-DENIHFKCSA-N 377.444 3.217 0 1 GGAF Cc1c(O)ccc2c1[C@@](c1ccc3c(c1)CCO3)(C(F)(F)F)N[C@H](C(=O)O)C2 963494274 ZVFFQGNQQIOBGP-LIRRHRJNSA-N 393.361 3.040 0 1 GGAF CCOC(=O)[C@H](CCC(=O)OC)[C@@]1(C)c2c(F)cccc2C[C@@H]2CCCN21 963104075 GZQTWQJHFLNYPR-QYWGDWMGSA-N 377.456 3.194 0 1 GGAF COc1ccc2c(c1)[C@](C)(c1ccc(S(=O)(=O)N(C)C)cc1)N[C@H]1CC[C@@H]21 962993577 KBRDKMRCBKANMD-JBACZVJFSA-N 386.517 3.058 0 1 GGAF Nc1ccccc1NC(=O)c1ccc(NC(=S)NCc2cccnc2)cc1 1772656560 IQJLZXBIJVTIKV-UHFFFAOYSA-N 377.473 3.403 0 1 GGAF NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1C[C@H]1CC[C@H]2N1 1772644183 AJGIZIGHRMYPRB-ZYHUDNBSSA-N 376.869 3.494 0 1 GGAF Cc1ccc(CNc2ncc3c(N4CCC[C@@H](C(=O)O)C4)nccc3n2)cc1 13366914 NTFSPRHHUJDZNA-MRXNPFEDSA-N 377.448 3.246 0 1 GGAF C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)OC[C@H]1F 169702969 QVPZORXMLIMRNH-RHSMWYFYSA-N 380.782 3.025 0 1 GGAF CNC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O 169710969 POAKOLFYXZPGDR-UHFFFAOYSA-N 385.423 3.177 0 1 GGAF O=C(Nc1ncccc1F)c1csc(CCNCc2nc3ccccc3[nH]2)n1 1857561099 ZMLLUPQXVCHMEX-UHFFFAOYSA-N 396.451 3.138 0 1 GGAF O=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2cncc(Cl)c2)CC1 205944052 MQJQYLQPSMPNAA-UHFFFAOYSA-N 384.867 3.053 0 1 GGAF O=C1c2c(O)cc(O)c3c2[C@@H]2[C@H](Oc4ccccc4[C@H]2[C@H]1O)c1cccc(O)c1-3 2356449338 JFOHOILWNMBZGW-UQHZHQPPSA-N 388.375 3.342 0 1 GGAF COc1ccc2nc(CO[C@@H]3CN(Cc4ccc(C(=O)O)cc4)C[C@@H]3F)[nH]c2c1 2356299279 DOFFAGNHOGHQAJ-QFBILLFUSA-N 399.422 3.009 0 1 GGAF CCC(=O)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 8677509 LBHIADOTBQKYAX-UHFFFAOYSA-N 378.428 3.238 0 3 GGAF COc1ccccc1Nc1ncc(C(=O)N2CCN(C)CC2)c2ccccc12 20114304 GRIKLSQVGXPMFA-UHFFFAOYSA-N 376.460 3.375 0 1 GGAF COC(=O)[C@H]1CC(=O)N(c2cccc(OCc3ccc4ccccc4n3)c2)C1 27325690 VQGIRZMLBWFEEP-INIZCTEOSA-N 376.412 3.340 0 1 GGAF NS(=O)(=O)c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 114363848 ABEMFKBBOBRDNL-UHFFFAOYSA-N 377.319 3.136 0 1 GGAF COC(=O)Cc1ccc(O[C@]2(C)CCN(Cc3ccc4c(c3)OCCO4)C2)cc1 61905468 MMFDLUKYQSHRBN-HSZRJFAPSA-N 397.471 3.217 0 3 GGAF CC1(C)OC(=O)C(Oc2cc(F)cc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1 26935113 CSYDLWAKOSNOAE-UHFFFAOYSA-N 394.395 3.494 0 1 GGAF COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C=O)Cc2ccco2)cc1 2356816481 DBPLCOMQTNRDOR-NRFANRHFSA-N 378.428 3.304 0 1 GGAF C[S@@](=O)C[C@H]1[C@H]2CC[C@@]3(CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]3C2)[C@@H]1O 28875669 RSTMEZAVUUMLEO-TYFKICDJSA-N 382.566 3.449 0 1 GGAF Cc1cc(C)c(C(=O)N2CCc3[nH]nc(CCC4CCCCC4)c3C2)c(=O)[nH]1 23310601 OILCBTWHEPWCTA-UHFFFAOYSA-N 382.508 3.426 0 1 GGAF COC(=O)[C@@H]1CCC[C@@H](N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)C1 66075811 ULGNQMQAXLOXHB-XFQXTVEOSA-N 380.479 3.278 0 1 GGAF COc1nc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)ccc1N1CC[C@H](O)C1 219364798 SPTALRPWQDHRDI-JTQLQIEISA-N 387.823 3.161 0 1 GGAF CN1C[C@H](c2cn(C)cn2)[C@H]([C@H](OC(=O)c2ccccc2)c2ccccc2)C1=O 13430795 VEEGOOQCXICNQB-HMXCVIKNSA-N 389.455 3.190 0 1 GGAF biogenic Cc1cc(Nc2ncc(Cl)c(CCc3ccccc3C3(C(N)=O)CC3)n2)n[nH]1 211099225 WQAZWPJKTOEOQF-UHFFFAOYSA-N 396.882 3.207 0 1 GGAF COc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3cccc4cn[nH]c34)CC1)O2 49070245 XXVUVOFFVZCTII-UHFFFAOYSA-N 391.427 3.212 0 1 GGAF COCCn1c(-c2cccnc2)nc2c(NCCc3cccc(F)c3)ncnc21 82179538 YLYHCYOFISDINS-UHFFFAOYSA-N 392.438 3.328 0 1 GGAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CC(n5cccn5)C4)ncn3)c2c1 225572406 AEJPPQPXZJGZDD-UHFFFAOYSA-N 375.436 3.065 0 1 GGAF CCNc1nc(N2CCC(N3CCCC3)CC2)nc2cc(OC)c(OC)cc12 40893381 BJFWREVOCITGCH-UHFFFAOYSA-N 385.512 3.143 0 1 GGAF O=c1c2ccccc2cc2n1Cc1c-2nc2ccccc2c1CN1CC[C@H](O)C1 40407694 KREKLSDBZNWOGN-INIZCTEOSA-N 383.451 3.145 0 1 GGAF CC1(C)C(Br)=C(c2nc3c(C(N)=O)cccc3[nH]2)C(C)(C)N1O 40892549 AZSNIXHNIPCNKQ-UHFFFAOYSA-N 379.258 3.030 0 1 GGAF CC(=O)O[C@@H]1C=C2C(=O)OC[C@]23CC[C@@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@@H]3C1 40380258 ALSAICPZWKIBDE-IMWSGINCSA-N 388.460 3.107 0 1 GGAF C[C@@]12CC3(O)CC(NC(=O)Cn4sc5ccccc5c4=O)(C1)C[C@](C)(C3)C2 230524550 KWWIQXSAESVAOP-WHSGIHJSSA-N 386.517 3.043 0 1 GGAF COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC(=O)[C@]2(O)[C@@H](C)O)C1 238734190 KYGPNWVAMZIKIS-FZNLMXJDSA-N 394.552 3.309 0 1 GGAF 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COc1cc(S(=O)(=O)c2cc(F)cc(F)c2)cc2c3c(oc12)CCNC3 147539996 CIAKIJJWFWXIJD-UHFFFAOYSA-N 379.384 3.198 0 1 GGAF CN(C)C(=O)[C@H]1[C@@H](C(=O)N(C)C)C2(C)c3ccccc3C1(C)c1ccccc12 68572277 FNHOXMWBSPLBHO-TUUBTQOTSA-N 376.500 3.034 0 1 GGAF biogenic NC(=O)c1cncc(OCc2cccc(NC(=O)CCc3ccccc3)c2)c1 653882371 OOJNXJDCMDYQRP-UHFFFAOYSA-N 375.428 3.331 0 1 GGAF N=c1cc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2c[nH]1 587112815 DCXYVIVYPKMGFQ-UHFFFAOYSA-N 381.383 3.261 0 1 GGAF COC(=O)c1cc2[nH]c(Cn3cc(-c4ccc(F)cc4)cn3)nc2cc1OC 587164996 HUTQLBVBTGLHHZ-UHFFFAOYSA-N 380.379 3.409 0 1 GGAF Cc1c(I)cnn1[C@H](C)c1nc2c(Cl)ccnc2[nH]1 587181969 JMYMDTVXENQDIL-SSDOTTSWSA-N 387.612 3.330 0 1 GGAF CCOc1ccc([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cn1 962672978 USAXFVCCCNDQDV-UGKGYDQZSA-N 377.444 3.217 0 1 GGAF Cc1ccnc2c1CCN[C@]21C=C(N2CCOCC2)Oc2c1ccc1ccccc21 963076882 SWYXIJOZCKYIQU-VWLOTQADSA-N 399.494 3.499 0 1 GGAF COc1ccc2c(c1)[C@@H]([C@H](CCO)NC(=O)OC(C)(C)C)N(C(C)C)CC2 962093660 SVRWFJAJBWZQRY-OALUTQOASA-N 378.513 3.279 0 1 GGAF CN1[C@H]2CCC[C@H]1CC1(C2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962656653 AWWVRQRWWPUUDH-BSRJHKFKSA-N 379.504 3.175 0 1 GGAF CC(C)N1C(=O)[C@]2(N[C@H]1N)c1ccccc1CC21CCc2ccccc2CC1 1772641195 BTDYPINICWJPMW-ISKFKSNPSA-N 375.516 3.086 0 1 GGAF COc1ccc(-n2ncc([C@H](C)NS(=O)(=O)c3cccs3)c2C)cc1 12763962 FZDRDXXDLNLRJS-LBPRGKRZSA-N 377.491 3.290 0 3 GGAF COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3[nH]nc4c3CCCC4)C2)cc1OC 15962402 UAIYSUYJKAYOLE-HNNXBMFYSA-N 397.475 3.041 0 3 GGAF CC(C)(O)[C@](C)(N=c1nc(-c2ccncc2)[nH]c2cnccc12)C(F)(F)F 1857606496 GSVWCAAXRHTWGQ-KRWDZBQOSA-N 377.370 3.013 0 1 GGAF O=C(c1ccco1)N(c1ncccn1)C1CCN(CCc2ccccc2)CC1 837992 OBRQIXPWUKGPHB-UHFFFAOYSA-N 376.460 3.424 0 1 GGAF CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCOC)cc1 4049651 GDRUDZNISDIOTM-PZJWPPBQSA-N 382.460 3.330 0 1 GGAF Cc1ccc(Cl)cc1N(C)C(=O)Cn1[nH]cc2c3ccccc3nc-2c1=O 103711205 NIMUZHLFJGBVJS-UHFFFAOYSA-N 380.835 3.454 0 3 GGAF CCOC(=O)c1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F 100816440 MMNMVFCPJPVVFU-UHFFFAOYSA-N 378.306 3.218 0 1 GGAF O=C1c2ccccc2C(=O)N1CCCCCN1CCN(c2ccccc2)CC1 28048431 YRCZJVPFEIPMMN-UHFFFAOYSA-N 377.488 3.275 0 1 GGAF CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cn3)s2)cc1 27548787 MVDDWTQHMIUMQG-UHFFFAOYSA-N 381.461 3.430 0 1 GGAF Cc1c(CC(=O)O)c2c(Cl)ccnc2n1Cc1ccc(S(C)(=O)=O)cc1 35943015 BUBIAPCEJNADFR-UHFFFAOYSA-N 392.864 3.077 0 1 GGAF O=C(c1ccc(F)cc1)C1CCN([C@H]2CN(Cc3ccccc3)CC[C@@H]2O)CC1 72178612 NXKOXFVSZFEZNX-GOTSBHOMSA-N 396.506 3.356 0 1 GGAF COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@H](C)[C@@]3(C)[C@@H](O)CC=C(C)C)C1=O 15222010 HVPDKSONVUABMQ-PVSQZPHNSA-N 386.444 3.447 0 1 GGAF biogenic O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc(CO[N+](=O)[O-])cc1 1911581507 DTSRZCMUDCPMBA-UHFFFAOYSA-N 397.475 3.079 0 1 GGAF CCOc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)N2CCCCC2)cs1 82070755 XAAJOBQRPZRJTD-CQSZACIVSA-N 387.505 3.340 0 1 GGAF O=C(O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(CO)cc3)cc2)c1 84845375 NHTLPWCMULUPID-UHFFFAOYSA-N 383.425 3.345 0 1 GGAF CCC(=O)N(CC(C)C)C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1 95895751 WJFNXVHTYUOYSG-VWPQPMDRSA-N 386.536 3.037 0 1 GGAF NC(=O)c1ccc(N[C@@H]2CNCC[C@H]2c2ccc(F)c(Cl)c2)c2cncnc12 143723127 DMKGGPGYGHAZLX-KPZWWZAWSA-N 399.857 3.079 0 1 GGAF CC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1 95794545 OREVKUIDZWHHQO-DNVJHFABSA-N 396.531 3.236 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@@H]1CN(C)CCO1)O2 587379483 VEAKLLKTCKKDDR-FPOVZHCZSA-N 386.879 3.422 0 1 GGAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN[C@@H](C(=O)O)[C@@H]1C4)-c1ccccc1C2=O 587096136 HAKCCISURCIQMT-DTJNWYTMSA-N 384.435 3.142 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cccs1)CC2=O 587494243 KISGNNBDHGWZCX-FQEVSTJZSA-N 388.441 3.399 0 1 GGAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 586951793 ZTPZZBFJYOBRCZ-UHFFFAOYSA-N 378.266 3.068 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(S(C)(=O)=O)cc1Cl)[C@@H](C2)C3=O 587448463 JILPHIZPCQPKLM-UGSOOPFHSA-N 378.833 3.241 0 1 GGAF COc1ccc(-c2nc3ccnc(OC)c3[nH]2)c(I)c1 587179814 GSZXNWHYOCDTRR-UHFFFAOYSA-N 381.173 3.247 0 1 GGAF CC(=O)C[C@]1(c2cnn(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587761649 BPGVVOXNEIKPKR-DYZYQPBXSA-N 380.261 3.079 0 1 GGAF N[C@@H](CCOc1ccc(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1)C(=O)O 587943589 JWKKGJSFMVQQSV-KRWDZBQOSA-N 388.370 3.309 0 1 GGAF N[C@@H](CCOc1ccc(O)n1CCCc1ccc(Cl)c(Cl)c1)C(=O)O 587943229 RDXAHPLUPFOKFY-AWEZNQCLSA-N 387.263 3.314 0 1 GGAF O=C(O)c1cc([C@@]2(C3CCCCC3)N[C@H](C(=O)O)Cc3cc(F)ccc32)c[nH]1 962896330 CCSQKGHDELQNID-GHTZIAJQSA-N 386.423 3.275 0 1 GGAF COC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962904381 VQMZYKMNLAUZMB-FUHWJXTLSA-N 383.341 3.333 0 1 GGAF Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963466374 CYDXPILJZHYEOO-LAUBAEHRSA-N 395.434 3.331 0 1 GGAF COc1cc2ncnc(N3CCN(C(=O)Nc4ccccc4)CC3)c2cc1OC 13474769 IOBJUORGEFFXQH-UHFFFAOYSA-N 393.447 3.001 0 1 GGAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2c(C(F)F)nnc12 200503337 VNRCPYKSCJJOCU-UHFFFAOYSA-N 387.369 3.460 0 1 GGAF S=C(Nc1cccnc1)NC1CCN(c2cc(OCC3CC3)ccn2)CC1 1857591978 PIEQZBNXHYKYJS-UHFFFAOYSA-N 383.521 3.221 0 1 GGAF C=C1C=C(C)[C@H](CC)OC(=O)[C@H](C)C(=O)[C@@](O)(CO)CC(Cl)=C[C@@H](C)C1 253688739 CGUZQJIBCFQKJK-IDVHHABFSA-N 384.900 3.292 0 1 GGAF CC1(C)Oc2cc(NS(=O)(=O)c3ccc(F)cc3Cl)ccc2NC1=O 1258916622 WWGNBJMKGKFXSN-UHFFFAOYSA-N 384.816 3.389 0 1 GGAF COc1cccc(OC)c1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O 1364999 QDSQUCRGTZVSJM-UHFFFAOYSA-N 379.416 3.065 0 3 GGAF CC(=O)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@](C)(CCC(=O)O)[C@H]([C@H](C)O)[C@H](O)C3 2356507831 IEJVINWWLWBFGT-XGDVJFTASA-N 378.509 3.331 0 1 GGAF CC(=O)O[C@H]1[C@H](O)[C@@]2(O)C(C)(C)CCC[C@@]2(C)[C@H]2Cc3occc3[C@@H](C)[C@H]21 2356425196 ACCJIJJOPXNXTB-SGIWYSPMSA-N 376.493 3.425 0 1 GGAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4215397 VJOFKDRWNYBCIW-SESVDKBCSA-N 385.508 3.438 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C[C@]3(OC)OC(=O)C(C)=C3C[C@]2(C)[C@@H]1C 2356489771 JEEFDVONXYYLJM-PZUZUOETSA-N 378.465 3.042 0 1 GGAF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)C(=S)NC(=O)c1ccccc1 10450369 UWDVVWOFGNHZKH-LBPRGKRZSA-N 376.865 3.330 0 1 GGAF COc1ccccc1CNC(=O)CSc1n[nH]c2c3cc(F)ccc3nc-2n1 101783365 XJGXEBHTSJCLIP-UHFFFAOYSA-N 397.435 3.014 0 1 GGAF O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12)c1cc[nH]n1 118402060 GYYROWSUKDACLU-QGZVFWFLSA-N 391.410 3.185 0 1 GGAF CCCCN1C(=O)[C@@H](CC(=O)NC2CCCC2)CC(C(=O)N(CC)CC)=C1C 61921480 NDKUZODLQAZPSE-QGZVFWFLSA-N 391.556 3.226 0 3 GGAF CN1CCN(c2ccc3nc(-c4n[nH]cc4/C=C/c4cccnc4)[nH]c3c2)CC1 28896791 LTPJBJXFWRHNJB-SNAWJCMRSA-N 385.475 3.270 0 1 GGAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@H]1CCCC[C@@H]1OC 29331362 KUVDELQPGAIHCS-ROUUACIJSA-N 397.947 3.330 0 1 GGAF CC[C@H](C)[C@@H]1OC(=O)[C@@H]2C[C@@]3(CC=C(C)C)c4ccccc4N(C=O)[C@H]3N2C1=O 2356786091 YXMCZBUWKBOYJA-VRHPOXPKSA-N 396.487 3.156 0 1 GGAF CC(C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)n2c1nc1ccccc1c2=O 15216249 DNPSVQYQTPYSPH-WOJBJXKFSA-N 386.455 3.489 0 1 GGAF biogenic CC(=O)Nc1cccc(N(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2ccccc2)c1 40414379 IKOUBUOLRKVECX-QFBILLFUSA-N 381.476 3.198 0 1 GGAF O=S(=O)(c1ccc2oc(N3CCNCC3)nc2c1)c1cccc2ccccc12 40863140 DLJBWYFUGPKXID-UHFFFAOYSA-N 393.468 3.223 0 1 GGAF CCc1cnc(-n2nc(OCCCN(C)C)c(Cc3ccccc3)c2C)nc1 299866629 PFJPIDCSAGIPEK-UHFFFAOYSA-N 379.508 3.454 0 1 GGAF O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@]12c1ccccn1 299821883 LMBKLWSPTMLAGN-QFIPXVFZSA-N 391.377 3.173 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NC[C@H](O)CC 299884919 URGRKJHTNNHKQB-LSBZLQRGSA-N 388.489 3.126 0 1 GGAF CN1CCN(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 587347932 VUXFRWWRRTUMQS-GGAORHGYSA-N 398.478 3.286 0 1 GGAF O=C1C[C@@H](Cc2nc3c(Cl)ncnc3[nH]2)c2c(Br)cccc2O1 587002351 DIOAQBXDGNBIPW-SSDOTTSWSA-N 393.628 3.404 0 1 GGAF CS(=O)(=O)Nc1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)cc1 586951384 ZKRMTLOHAWHDTJ-UHFFFAOYSA-N 393.472 3.433 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CS(=O)(=O)c3cc(C(F)(F)F)ccc31)O2 587383830 WKMJKNJKGKBPML-QGZVFWFLSA-N 397.374 3.244 0 1 GGAF CCOC(=O)[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797989 NIZNRAPRTQJDKJ-KMNYPPFZSA-N 386.261 3.106 0 1 GGAF COC(=O)c1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615746 XZXXKIYZJWIEMY-RHSMWYFYSA-N 383.381 3.338 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCCO)c1 587593788 DXTFUQGAJAWOIN-SIKLNZKXSA-N 378.380 3.466 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2[C@H]3C[C@@H]4[C@@H]2C2(OCCO2)[C@H]2[C@H]4[C@@H]3[C@H]21 587493775 VTKVSYQZXFSTIP-TYTZZUFHSA-N 394.467 3.180 0 1 GGAF O=C(O)[C@@H]1[C@@H]2[C@@H]3C[C@H]1[C@@]1(Oc4cc(O)ccc4C(=O)[C@@H]1c1ccc(F)cc1)[C@@H]32 587348021 BXGWWVJLGJNRQK-ZDTYTVRISA-N 380.371 3.226 0 1 GGAF CNC[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587739359 ATMYCXBBMWFRQV-ADLMAVQZSA-N 379.273 3.291 0 1 GGAF COC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 587770941 KZDGXAKWKFAXCB-JDNHERCYSA-N 379.229 3.393 0 1 GGAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2nccc3cc[nH]c23)N1 962697087 KWGXURRIQWGJTA-ZFWWWQNUSA-N 379.313 3.409 0 1 GGAF COC(=O)COc1ccc([C@@]2(C)N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1 963637472 SIKFLGYNPGMBRH-JLCFBVMHSA-N 385.460 3.053 0 1 GGAF COc1ccc(CN2CCCC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 14953054 XWFJCHUZRZMQMB-NRFANRHFSA-N 384.520 3.163 0 1 GGAF O=C(NCc1nc(NCCCc2ccccc2)c2ccccc2n1)[C@@H]1CCCO1 14981905 PIVBJKFOQAHDGY-FQEVSTJZSA-N 390.487 3.470 0 1 GGAF COc1cc([C@H]2NC(=S)N=C(C)[C@H]2C(=O)OC(C)C)ccc1OC(C)C 169688817 MGDCUCOGFRYHED-IAGOWNOFSA-N 378.494 3.440 0 1 GGAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1ccc(-n2ccnc2)cc1 169714461 HRFSLUYZQLQNAH-QUCCMNQESA-N 395.459 3.447 0 1 GGAF CN1C(=O)C(NCc2ccccc2Cl)=C(c2cn(C)c3ccccc23)C1=O 1857607009 UEHPBMWZXHGSEQ-UHFFFAOYSA-N 379.847 3.331 0 1 GGAF CCn1c(=O)c2c(nc(NC3CCCCC3)n2Cc2ccccc2)n(CC)c1=O 4199925 JMTKCNAWCZKERW-UHFFFAOYSA-N 395.507 3.192 0 1 GGAF CC1=C[C@H](CNC(=O)C2CC2)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 2356308585 GPZIFXZVUAVSAF-PWRODBHTSA-N 383.536 3.469 0 1 GGAF COc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 28760659 OFUQHYVLBCLSMB-UHFFFAOYSA-N 396.443 3.465 0 1 GGAF O=C(O[C@@H]1CN2CCC1CC2)[C@](O)(c1ccccc1)c1ccc(CCCF)cc1 29411935 HDCVIADZSOEXDV-VWNXMTODSA-N 397.490 3.462 0 1 GGAF CCOc1cccc2cc(S(=O)(=O)Nc3ccc(OC)cc3)c(=O)oc12 28376006 VBJCLELIFMIQRE-UHFFFAOYSA-N 375.402 3.001 0 1 GGAF CCCNC(=O)[C@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc23)C1 20564845 DRUFQAJNAZJUCE-KRWDZBQOSA-N 392.507 3.175 0 1 GGAF COc1ccc(NC(=O)[C@@]2(C)CCN2CCOc2ccc(C)cc2)cc1OC 61907553 YCGQLVIPYVHBQK-JOCHJYFZSA-N 384.476 3.494 0 3 GGAF CCOC(=O)CN1C(=O)[C@@]2(CC(C)=C[C@@H](C)O2)c2c(Br)cccc21 36381980 WNGRHFOZZPJEOQ-KZULUSFZSA-N 394.265 3.309 0 3 GGAF CC(C)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2 82205923 ZYJIBWXGBLRNLC-IAGOWNOFSA-N 386.471 3.175 0 1 GGAF O=C(NN1C(=O)CCS[C@H]1c1cccc(C(F)(F)F)c1)c1ccncc1 84616614 JVMIYXJOXGGZLI-INIZCTEOSA-N 381.379 3.410 0 1 GGAF CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1 95584051 FHXOMTCQJFBKEF-UHFFFAOYSA-N 389.496 3.408 0 1 GGAF CC(C)CCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O 95594998 DNJMCRPXQNYUQR-UHFFFAOYSA-N 383.423 3.135 0 1 GGAF O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCC[C@@H]1CO 144744045 CXCXOOTVFPWEFF-BFUOFWGJSA-N 377.362 3.062 0 1 GGAF CC(=O)[C@H](C)[C@](C)(O)C(=O)O/C1=C/C(C)=C/CC/C(C)=C/[C@@H]2OC(=O)[C@@H](C)[C@H]12 238767379 SWEZMQZVOMKDJW-GNFFGUGJSA-N 390.476 3.254 0 1 GGAF O=C1C[C@@H](c2nc3cc4c(cc3[nH]2)OCCO4)CN1Cc1ccc(F)cc1F 587148661 JSTYNKZCVGQQLQ-GFCCVEGCSA-N 385.370 3.128 0 1 GGAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 586881518 HAGOJIFKMDBWSH-UHFFFAOYSA-N 379.460 3.432 0 1 GGAF CC(C)(C)[C@]1(CS(C)(=O)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610290 XGLZKBOASNLUGE-OXQOHEQNSA-N 390.457 3.183 0 1 GGAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(C)cnc(Cl)c3[nH]2)cc1 586941439 STYHKEABIPORCV-FPLPWBNLSA-N 376.869 3.318 0 1 GGAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586984179 NPUXLBJUJLYMLN-ZDUSSCGKSA-N 385.265 3.453 0 1 GGAF CNC[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587753262 GYEORQBJKMSRBT-ADLMAVQZSA-N 379.273 3.291 0 1 GGAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)cc2N1 587126178 WVRCCMYIMLOOFI-PWCHPLFNSA-N 377.330 3.316 0 1 GGAF Cc1nn(C)c(N(C)C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587760027 WPDQJLGSDDYBGJ-FVMDXXJSSA-N 381.293 3.320 0 1 GGAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc(N(C)C)n1 587752194 CYAPFGGPFSALQC-XXFAHNHDSA-N 379.277 3.376 0 1 GGAF COc1ccc(OC)c(NC(=O)C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587433829 XEVXIYAGTLCDNZ-QRQCRPRQSA-N 397.427 3.247 0 1 GGAF CCOC(=O)C(=O)[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587594753 INBGUTVGAMXZED-ORHBMQHOSA-N 396.395 3.025 0 1 GGAF CCOC(=O)[C@]1(c2ccc(C(C)C)cc2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963551300 MUOCPLSHBABTTJ-WMZHIEFXSA-N 397.471 3.230 0 1 GGAF Cc1c2c(nn1C)[C@H](c1ccccc1C(F)(F)C(F)(F)F)N[C@@H](C(=O)O)C2 962720034 YIRVFQMDJRCXEX-OLZOCXBDSA-N 389.324 3.071 0 1 GGAF Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCN(C(=O)c3cc(C(C)C)nn3C)C2)n1 1772649871 CLOYPEOSPLNILY-MRXNPFEDSA-N 392.507 3.277 0 1 GGAF NCc1cc(O[C@@H]2CCN(C(=O)Nc3ccccc3)C2)nc(C(F)(F)F)c1 1857577692 ZWHOTPNCEFWATE-CQSZACIVSA-N 380.370 3.244 0 1 GGAF COc1cc(OC)cc(-c2nnc(SCC(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)o2)c1 100276181 JNYBWQUFLBASQM-XHBSWPGZSA-N 389.477 3.151 0 1 GGAF CN(C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-n4ccnc4)cc3)cc2)C1 28113752 XKHZEEWTGCJUDR-OAQYLSRUSA-N 375.476 3.265 0 1 GGAF C[C@]1(c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)COc2ncnc(N)c2O1 101448033 PTURRLPBGFGSSH-HKZYLEAXSA-N 383.448 3.494 0 1 GGAF O=C(Cc1ccncc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccc(F)c2)cc1 100107145 DLWQHUAJHSRMCB-ACHVPNTGSA-N 387.458 3.397 0 1 GGAF CN(C)C[C@@H](COc1ccccc1CCc1ccccc1)OC(=O)CCC(=O)O 29485308 FMMQQWLSGGDVIT-FQEVSTJZSA-N 399.487 3.189 0 1 GGAF CC(=O)S[C@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1ccc2ccccc2c1 27311682 AXTKUUGLRMYPBN-ZWKOTPCHSA-N 399.468 3.137 0 1 GGAF CC[C@@H]1C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C(=COC)C(=O)OC 2356871160 XXZOQSSCBPFYEH-AXHNFQJDSA-N 382.460 3.343 0 1 GGAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCS(=O)(=O)C2 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CCCCNC(=O)CCc1nc2ccccc2n(Cc2ccccc2F)c1=O 3042127 LWMHEEYCJSFJDP-UHFFFAOYSA-N 381.451 3.433 0 1 GGAF CC(C)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 100703168 MMVICUUPCRIAFS-QGZVFWFLSA-N 379.460 3.421 0 1 GGAF CCOc1cc([C@H]2C3=C(O)CCCC3=Nc3nc(C(=O)OC)nn32)ccc1OC 102362768 GFZXNAVXOBNLPH-KRWDZBQOSA-N 398.419 3.144 0 1 GGAF CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC2CC2)c1=O 101661487 MMIADXBECWJAKC-UHFFFAOYSA-N 396.418 3.419 0 1 GGAF O=C(c1ccc(Cl)cc1Cl)c1ccc(-n2ncc(=O)[nH]c2=O)cc1Cl 25964006 STDSVETYHZLIBJ-UHFFFAOYSA-N 396.617 3.112 0 1 GGAF CC1=C[C@@H]2C3=C(C)CCC[C@H](O)C3=CC(=O)O[C@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@H]1C 2356512816 FYDJLDITTIQVBM-IXYBHGPSSA-N 399.531 3.443 0 1 GGAF CC(C)Oc1cccc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1F 73197149 ZGQZTGDPCIETLK-YJBOKZPZSA-N 391.464 3.284 0 1 GGAF O=C(NC1CCCC1)c1cccc2c1C(=O)c1ccc(Cl)cc1S2(=O)=O 36382292 VMMPXYSJHPARFT-UHFFFAOYSA-N 389.860 3.390 0 3 GGAF C[C@@H]1CN(c2cc(=O)n3ccn(Cc4cccc(Cl)c4Cl)c3n2)CCO1 73313452 JDQCHVPEXLIUAD-GFCCVEGCSA-N 393.274 3.076 0 1 GGAF CCCN(Cc1ccccc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40917714 FHPGIDVSZKOTLE-NRFANRHFSA-N 386.446 3.356 0 1 GGAF CCOC(=O)[C@H]1CC(C(=O)c2cc(Cl)ccc2N)=NN1Cc1ccccc1 42889512 CDIVBNAPQCWONJ-GOSISDBHSA-N 385.851 3.299 0 1 GGAF O=C(c1cccs1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cccnc2)ccc1=O 25410801 HDIKPMYDPIVTLZ-ZBFHGGJFSA-N 377.469 3.231 0 1 GGAF biogenic CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cccc(Cl)c1 95794424 DLBWXYUMPSIVBF-PZJWPPBQSA-N 384.907 3.291 0 1 GGAF O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 95661714 CJAIOKNDHHIDHT-BHDDXSALSA-N 377.488 3.061 0 1 GGAF CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1 261103708 GZGMMCKOZRMGDA-IYARVYRRSA-N 387.524 3.012 0 1 GGAF COC(=O)[C@@H]1[C@H](C)CC(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587803715 BOCWGLFWQWUEBF-VMLMSMNQSA-N 398.272 3.106 0 1 GGAF O=S(=O)(Cc1nc2c(Cl)c(Br)cnc2[nH]1)C1CCCC1 586923929 AMYMFHUYXSWUBO-UHFFFAOYSA-N 378.679 3.231 0 1 GGAF COC(=O)c1ccnc2[nH]c(-c3cc(I)ccc3F)nc12 587182667 NCINCUIVHDQILL-UHFFFAOYSA-N 397.147 3.155 0 1 GGAF O=S(=O)(Cc1nc2cccc(I)c2[nH]1)C1CCCC1 586923997 DGVKSVXOBFRZRV-UHFFFAOYSA-N 390.246 3.025 0 1 GGAF O=C1COc2cc3[nH]c(-c4nc(Br)ccc4Cl)nc3cc2N1 587005157 AAIDKUKUGFPPSG-UHFFFAOYSA-N 379.601 3.372 0 1 GGAF COC(OC)[C@]1(/C=C\N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587756111 PZJIPJFIAURIQX-RGPKYWIOSA-N 387.293 3.012 0 1 GGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](Cn2ccnc2)(c2ccc(Cl)cc2)N1 962906677 HTPNJCVGWNYLNL-ICSRJNTNSA-N 385.826 3.218 0 1 GGAF COc1cc(OC)c([C@]2(C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1Cl 963494272 ZUIWREPEUIXORG-XOBRGWDASA-N 391.851 3.234 0 1 GGAF NC(=O)N1CCc2sccc2[C@@]1(c1ccccc1)c1cccnc1C(=O)O 962693824 BBOCACNMPQQOCA-FQEVSTJZSA-N 379.441 3.070 0 1 GGAF Cc1nc(Cl)cc([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)n1 962674931 WMOMBRXNSUQOSZ-FXAWDEMLSA-N 382.851 3.175 0 1 GGAF O=C(Nc1ccc2c(c1)CN(Cc1ccc3c(c1)OCCO3)CC2)[C@H]1CCCO1 12714360 CFSJWMBHANAVFZ-OAQYLSRUSA-N 394.471 3.134 0 1 GGAF CN1C(=N)N/C(=C/c2c[nH]c3cc(Br)c(Br)cc23)C1=O 13371065 XUVBKQXEGSJTDJ-BIIKFXOESA-N 398.058 3.030 0 1 GGAF COC(=O)/C=C/c1ccc(-c2ccc3c(=O)cc(N4CCOCC4)oc3c2)cc1 13677178 LZOUKNBRRFKJFR-RUDMXATFSA-N 391.423 3.483 0 1 GGAF CC(C)n1c(O)cn(Cc2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)c1=O 169717588 HQJDVRHZORVGDX-UHFFFAOYSA-N 384.219 3.471 0 1 GGAF Cc1nc(C(C)(C)NC(=O)c2ccc(C(F)(F)F)c(OCC3CC3)n2)no1 206691654 VWKXYIIHCHJWOA-UHFFFAOYSA-N 384.358 3.246 0 1 GGAF CN1c2ccccc2C(=O)NC12CCN(CCCC(=O)c1ccc(F)cc1)CC2 1640504 WHWSPTMNNYZUGM-UHFFFAOYSA-N 395.478 3.461 0 1 GGAF COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4ccncc4)C3)C2)cc1 3956353 KWIBNYAZBOWRRY-JOCHJYFZSA-N 394.475 3.250 0 1 GGAF Cc1cc(S(=O)(=O)c2ccc(N)cc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 100632712 DMYYRYKPLPEGAQ-KSSFIOAISA-N 381.501 3.251 0 1 GGAF NCCCc1c2c(nc3cc4c(cc13)OCCO4)-c1cc3ccccc3c(=O)n1C2 58541715 HHWQECNCSKSVHG-UHFFFAOYSA-N 399.450 3.241 0 1 GGAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(C[C@@H]4CCCO4)cc3)c3c(N)nccn32)C1 100618817 MQXVSKQUGFTESU-PNLZDCPESA-N 378.476 3.328 0 1 GGAF O=C1CN(C[C@@H]2CCCO2)C(=O)CN1CCC(c1ccccc1)c1ccccc1 28641731 YCZYEUHLVWJNNK-NRFANRHFSA-N 392.499 3.058 0 1 GGAF CCS(=O)(=O)CCn1c(=N)sc2cc(C(F)(F)C(F)(F)F)ccc21 26720009 ZVNNIQQEEIPQLY-UHFFFAOYSA-N 388.383 3.271 0 1 GGAF CC(C)(O)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12 63539513 UEJXQVWENDKSJQ-UHFFFAOYSA-N 396.401 3.107 0 1 GGAF CN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C1=O 72124330 IPQGNHCGMASCIK-UHFFFAOYSA-N 378.476 3.129 0 1 GGAF O=c1cc(NCCCNCc2ccc3c(c2)OC(F)(F)O3)[nH]c2ccccc12 45202794 QABMEZZOJXMNNA-UHFFFAOYSA-N 387.386 3.441 0 1 GGAF COc1ccc([C@@](C)(O)c2nc(N3CCSCC3)nc3ccccc23)cc1 1911572923 FYEWGTSHGZFLBR-OAQYLSRUSA-N 381.501 3.447 0 1 GGAF Cc1cnc(NCC2CC2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1 87612975 OGMZZUIJQWSZQQ-LJQANCHMSA-N 391.475 3.065 0 1 GGAF O=C(Cc1ccco1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 40763277 NUCIWDVKDFCRRW-UHFFFAOYSA-N 393.443 3.420 0 1 GGAF COc1cnc(COc2ccc(F)c(F)c2)cc1-c1cc2c([nH]1)CCNC2=O 95558235 GMIKNOQZLHKCFH-UHFFFAOYSA-N 385.370 3.228 0 1 GGAF in-vitro COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CC2)[C@H](CO)N3)c1 95866862 WTDKBUHNBUIAHQ-BVYCBKJFSA-N 378.472 3.448 0 1 GGAF COc1nc(-c2cccc(C(C)=O)c2F)nc(=NCCc2ccc(F)cc2)[nH]1 473162834 PQNKKZPJIVGOBN-UHFFFAOYSA-N 384.386 3.105 0 1 GGAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)cc2N1 587124191 LZZVKGRMYGAVMF-FDHQVAJDSA-N 379.346 3.458 0 1 GGAF COC(=O)/C(=C\c1cccc(Cl)c1Cl)c1ccc2c(O)nc(O)nc2n1 587368492 KSNNSRHOFRFCSK-YFHOEESVSA-N 392.198 3.456 0 1 GGAF COC(OC)[C@]1(/C=C\N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587751944 CBSZWHZJISQALJ-ZZRXLOMYSA-N 387.293 3.012 0 1 GGAF O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccn2N1 587342020 YGDVYBHXBAGBIL-PZJWPPBQSA-N 378.359 3.061 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\NC(=O)CS2)(C2CC2)N1 587859065 VGUPXXMJHPXRET-DMKQWHTJSA-N 397.313 3.432 0 1 GGAF CS(=O)(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587079875 LMXIUWQSTZAVMC-CQSZACIVSA-N 388.880 3.344 0 1 GGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccccn1)C1C[C@@H]2CC[C@H](C1)N2 963614673 YJWMJVQGFMKNHO-NKNOXCHXSA-N 393.531 3.407 0 1 GGAF COC[C@@H]1C[C@H]1c1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@H]1CCCNC1 1772584590 VNPQQGXWMYSECL-GARJFASQSA-N 397.306 3.116 0 1 GGAF COc1ccc(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)c(C)c1 12303140 MUUJUVUMJALEKQ-OAHLLOKOSA-N 391.464 3.426 0 3 GGAF O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1ccccc1OC(F)F 12644920 VTARJFYRXDMCGG-BRRVFRNMSA-N 395.402 3.101 0 1 GGAF COC(=O)c1ccc(C2=NO[C@](C)(c3nnc(Cc4ccccc4)o3)C2)cc1 12726491 ZQLLGVSVIBWHGU-NRFANRHFSA-N 377.400 3.487 0 3 GGAF OC1CCN(Cc2nc(-c3ccc4[nH]nc(-c5ccc(F)cc5)c4c3)n[nH]2)CC1 164762018 FEHMLFPRZDRXQV-UHFFFAOYSA-N 392.438 3.111 0 1 GGAF O=C(C1CC1)N1CCC[C@]12C(=O)Nc1ccc(-c3ccc4nccnc4c3)cc12 1857549897 PXPGVPPGCPSCSN-QHCPKHFHSA-N 384.439 3.477 0 1 GGAF CN(C)CCCOC(=O)Nc1nc2ccc(C(=O)c3ccc(F)cc3)cc2[nH]1 1857654250 FBXNXXGWXJBOGY-UHFFFAOYSA-N 384.411 3.433 0 1 GGAF Cc1cccc(C)c1NC(=O)C[S@](=O)CC(=O)N[C@H]1CCCc2ccccc21 4906708 HPYIOVGICBOHBE-VKGTZQKMSA-N 398.528 3.184 0 3 GGAF Cc1cccc2c1nc1n2[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)COC1 2356299299 FBFHDZMLGTXUEN-CQSZACIVSA-N 391.880 3.048 0 1 GGAF CC(C)c1c(Cc2ccccc2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O 66103410 IPRNYYLOHLEESV-UHFFFAOYSA-N 398.434 3.275 0 1 GGAF Cc1ccc2nc3n(c(=O)c2c1)-c1ncccc1C(=O)N[C@H]3Cc1ccccc1 61921458 KAWBUAMBZDCJOU-IBGZPJMESA-N 382.423 3.116 0 3 GGAF CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nc(C)cc4occc34)CC2)CC1 116880389 QGKIQQCQAJMJNK-KDURUIRLSA-N 384.524 3.343 0 1 GGAF O=C(c1ccccc1O)n1c(-c2ccc(S(=O)(=O)O)cc2)nc2ccccc21 66260268 FBDPXQQZUGOMFH-UHFFFAOYSA-N 394.408 3.344 0 1 GGAF COc1ccc([C@@]23OC[C@@]24[C@H]2[C@H](OC[C@H]24)c2cc(OC)c(OC)cc23)cc1OC 28219300 QNMXTGTWSBDJKC-XTSSOZKMSA-N 396.439 3.312 0 1 GGAF O=c1c2ccccc2nc2n1CCC2=CN1CCN(c2ccc(F)cc2)CC1 2356554186 LRJCUZOKFFTKRM-UHFFFAOYSA-N 376.435 3.102 0 1 GGAF O=C(CN1C(=O)CCc2ccccc21)Nc1scc(Cl)c1-c1ncn[nH]1 66077418 ZOUZXNPDTXVSEH-UHFFFAOYSA-N 387.852 3.105 0 1 GGAF CCOC[C@@H]1C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@H]2C)[C@]31CC=CN(C(=N)NC)C1 2356741288 ZUZIRKLITHSRDD-OOGYSAADSA-N 387.524 3.220 0 1 GGAF CC[C@H](C)[C@@H]1OC(=O)[C@@H]2C[C@]3(CC=C(C)C)c4ccccc4N(C=O)[C@H]3N2C1=O 2356786088 YXMCZBUWKBOYJA-DZFCUNEISA-N 396.487 3.156 0 1 GGAF Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@H](C(=O)NCCc2cccs2)N(C)[C@@H]31 36378274 GZZDLQKHHGJFCA-CWFSZBLJSA-N 394.544 3.449 0 3 GGAF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)O 38245396 PGTQRMPLONEWBV-YIBSWQHHSA-N 396.480 3.431 0 1 GGAF CN1C(=O)[C@](c2ccsc2)(c2ccc(F)c(-c3cccnc3F)c2)N=C1N 72183185 JCEVTYZGXQGFEM-LJQANCHMSA-N 384.411 3.119 0 1 GGAF COc1ccnc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c1 40950395 WLYGSDPNZQUPGJ-ZSEKCTLFSA-N 380.398 3.446 0 1 GGAF Nc1nc(=O)n([C@H]2CC[C@H](NC(=O)c3cccc(-c4ccccc4)c3)C2)cc1F 49021250 KUUSOUUWMBPQFS-ROUUACIJSA-N 392.434 3.155 0 1 GGAF CNC(=O)c1ccc([C@]2(C)SC(N[C@@H](C)c3ccc(F)cc3)=NC2=O)cc1 40848111 HLKILUBKCZMAKT-YUNKPMOVSA-N 385.464 3.381 0 1 GGAF COc1cc2c(cc1OC)CN(CCCN1CCc3cc(F)ccc3C1=O)CC2 96285652 XLBOZNDKLBRNMR-UHFFFAOYSA-N 398.478 3.290 0 1 GGAF Cc1cc(C)nc(NC(=S)N2CCN(c3nccc(C(F)(F)F)n3)CC2)c1 95568746 TVJGXHWAAUWSEW-UHFFFAOYSA-N 396.442 3.026 0 1 GGAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCc2ccccc2C1)c1ccccc1 43527001 SGNQDVJRDGBDAL-YFNKSVMNSA-N 389.543 3.185 0 1 GGAF biogenic COc1cc2nncc(-c3ccc(N4CCC(C)(O)CC4)nc3)c2cc1OC 299862583 JVAGCRPEDGRUIC-UHFFFAOYSA-N 380.448 3.060 0 1 GGAF FC(F)(F)Oc1cc(Br)c2[nH]c(C[C@@H]3COCCO3)nc2c1 586908566 CFXAWEDFXKPOET-MRVPVSSYSA-N 381.148 3.182 0 1 GGAF CN(C)CCOc1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 586996324 FIQKOMCHXPPXQW-QGZVFWFLSA-N 390.281 3.348 0 1 GGAF O=C(CCc1nc2ccc(Cl)nc2[nH]1)Nc1nnc(-c2ccncc2)s1 587024372 XOXPFLQNQARNDV-UHFFFAOYSA-N 385.840 3.096 0 1 GGAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3ncc[nH]c-3n1)C(=O)OC2 586916271 XIRNPEFAMAYMDZ-NYYWCZLTSA-N 394.431 3.119 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(S)nc2O)N1 587844158 MMYCXVRHNQUESE-MLXNANBUSA-N 384.274 3.170 0 1 GGAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOC(C)=O 587397718 AMCLVQGCTYYHAO-IBGZPJMESA-N 385.416 3.234 0 1 GGAF Cc1c(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)F)cnn1C 587648500 ANRXCTSMWTZPFT-UHFFFAOYSA-N 385.367 3.025 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)Sc3ncccn3)[nH]c2c1 586962910 BZNDNWQWGLVARQ-GFCCVEGCSA-N 391.522 3.285 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(CO)OC=C1OCc1ccccc1)O2 587415310 ZVHVKDDFQFVLSH-QFIPXVFZSA-N 379.412 3.246 0 1 GGAF Cc1c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587166621 XUKHVAZXGUQIDT-UHFFFAOYSA-N 384.436 3.330 0 1 GGAF CN1CCc2c(Br)cccc2[C@@]12C(=O)Nc1cc(F)cc(F)c12 963278393 AVCGXNLZASHFFT-QGZVFWFLSA-N 379.204 3.411 0 1 GGAF O=C(O)[C@H](Cc1ccccc1)N[C@@H](C(=O)NC1CCCCC1)c1ccccc1 1772611902 BGIZLVCSVIXABJ-LEWJYISDSA-N 380.488 3.462 0 1 GGAF COCCCCn1cc([C@H](C)N(C(=O)[C@@H]2CCNC2)C2CC2)c2ccc(C)nc21 1772593802 HSKVJYZVNXEPBI-ZWKOTPCHSA-N 398.551 3.433 0 1 GGAF CNC(=O)c1ccc(-c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)cc1 1772631356 PZQGKYKXYUTSSZ-UHFFFAOYSA-N 387.443 3.002 0 1 GGAF C[C@@H](c1ccc(-c2cccc(-c3nc[nH]n3)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14948255 SYSFQGYFFKSFIC-GKCIPKSASA-N 393.466 3.140 0 1 GGAF Cc1cccc(CCC(=O)Nc2cncc(C(=O)c3cn(C)c4ncncc34)c2)c1 169707868 AHFDJIJMHMONCB-UHFFFAOYSA-N 399.454 3.474 0 1 GGAF COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCCCN1CCOCC1 1857559387 WXMZDFZPAYBFSD-CYVLTUHYSA-N 394.471 3.289 0 1 GGAF Clc1cnc(OCc2cn(C3CCN(Cc4ccccc4)CC3)nn2)nc1 1857575107 RLTVQMMMUOQNPU-UHFFFAOYSA-N 384.871 3.138 0 1 GGAF O=C(O)CCCCCN1CCc2cc3c(cc2[C@@H]1c1ccncc1)OCCO3 1857641075 NQHAUOPGZHFURI-QFIPXVFZSA-N 382.460 3.445 0 1 GGAF CO[C@H]1CCCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857755125 IOZVAZDEWBYBFU-YWZLYKJASA-N 388.414 3.071 0 1 GGAF COc1cc([C@@H]2C(=O)NC(=O)N2c2ccc3ncccc3c2)cc(OC)c1OC 1857755597 KBYQWGYESXJUEV-GOSISDBHSA-N 393.399 3.058 0 1 GGAF CC(=O)OCC=C(C)C[C@@H](C=C(CC=CC(C)(C)O)COC(C)=O)OC(C)=O 2356403159 APEPJYDHTDGGGS-FQEVSTJZSA-N 396.480 3.024 0 1 GGAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@H](N3C(=O)Cc4ccccc43)C1)C2 101663657 PNUNTGVSYVVWCT-FFGOWVMKSA-N 397.519 3.050 0 1 GGAF COc1cc([C@@H]2[C@@H]3Nc4ccccc4[C@H]3C[C@H]3CCC(=O)N32)cc(OC)c1O 58666242 MZSKXOJALGTISZ-OUZAALOWSA-N 380.444 3.423 0 1 GGAF O=C1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)CCN1Cc1ccccn1 59288544 DDLLICZGDAYUFA-UHFFFAOYSA-N 397.784 3.238 0 1 GGAF CC(C)N1CNc2c(Nc3cccc(C(F)(F)F)c3)nc(NCCO)nc21 100442809 BVKBEKACCLGRAL-UHFFFAOYSA-N 382.390 3.241 0 1 GGAF Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1S(=O)(=O)N1CCC1 29038036 VZJCDUVIHBZYEA-WMZOPIPTSA-N 376.522 3.042 0 1 GGAF CC=CC=CC=C[C@]12OCC[C@@H]3OC[C@@](OC(=O)c4ccccc4N)(CO1)[C@H]32 2356324182 HPYHHCISGKKBRS-MPJJRAAHSA-N 383.444 3.015 0 1 GGAF COCC[C@@H](CC1(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CCCC1)C(=O)O 28641704 CQBVAAQFFFJGPG-RYQLBKOJSA-N 377.456 3.486 0 1 GGAF C[C@H](NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O 113664168 JSJOTTORWMGMAS-ZDUSSCGKSA-N 379.391 3.284 0 1 GGAF Cc1ccc(S(=O)(=O)N2C[C@H](c3ccc(Br)cc3)NC2=O)cc1 26570251 BUJOPJZHQRFQEB-OAHLLOKOSA-N 395.278 3.213 0 1 GGAF CCNC(=O)OCc1c(COC(=O)NCC)c2n(c1CC)Cc1ccccc1C2 66260130 ADOINQQANDXQMR-UHFFFAOYSA-N 399.491 3.495 0 1 GGAF C[C@@H]([C@@H](O)c1ccc2nc(O)oc2c1)N1CCC(O)(c2ccc(F)cc2)CC1 28952060 SBUUMDUQHYKBLC-ORAYPTAESA-N 386.423 3.078 0 1 GGAF CCCS(=O)(=O)Nc1cc(F)cc(C(=O)Nc2cnc3[nH]ccc3c2)c1F 72180450 QWRWICZZZHDQLH-UHFFFAOYSA-N 394.403 3.245 0 1 GGAF COc1ccc2c(=O)cc(-c3ccccc3)oc2c1[C@@H]1[C@@H](O)OC(C)(C)[C@@H]1O 14721607 XOVMVTBGLHJLEX-TYPHKJRUSA-N 382.412 3.040 0 1 GGAF biogenic CC1(C)OC(c2ccc(S(N)(=O)=O)c(F)c2)=C(c2ccccc2Cl)C1=O 138263805 IGLGRIJFEHGSAV-UHFFFAOYSA-N 395.839 3.373 0 1 GGAF CCOC(=O)c1ncn2c1Cc1cncnc1-c1cc(Br)ccc1-2 45245169 VGGIEUXCMQZQDL-UHFFFAOYSA-N 385.221 3.173 0 1 GGAF Cc1nonc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccccc1C(F)(F)F 45316444 NRURPLSZQBHNEP-ZDUSSCGKSA-N 391.353 3.390 0 1 GGAF CCc1ccccc1-c1ccc(Cl)c2[nH]c(C(=O)NC[C@@H](N)C(=O)O)cc12 43079658 PAAGAWRKHJGHRH-MRXNPFEDSA-N 385.851 3.192 0 1 GGAF COc1cc(OC)cc(-c2nc(C(=O)N[C@H](CO)Cc3ccccc3)cs2)c1 82075346 AROHIFHKEUXAMB-INIZCTEOSA-N 398.484 3.161 0 1 GGAF CC(C)(C)NC[C@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O 49034713 LUSQFJUMCWATFQ-QGZVFWFLSA-N 389.521 3.029 0 1 GGAF CN(Cc1ccc(F)cc1)c1ccc2ncc(-c3ccc(CNCO)cc3)n2n1 40975600 ZVLMRJLLEXWJPA-UHFFFAOYSA-N 391.450 3.211 0 1 GGAF COc1coc(COC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1=O 82156377 AFCBPJWBQFKCNG-OAQYLSRUSA-N 388.416 3.106 0 1 GGAF CC(=O)NCCn1c(C(C)C)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185201 DGRKCFBSKWJGKL-UHFFFAOYSA-N 386.887 3.351 0 1 GGAF Cc1cc(Cl)cnc1C(=O)Nc1ccc2c(c1)[C@@]1(COC(N)=N1)C1(CC1)CO2 149357555 UGPKGDXAPPRVIR-FQEVSTJZSA-N 398.850 3.009 0 1 GGAF CCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccccc3Cl)C[C@@H]21 95894490 NRBNEYGDSAPWKE-NLWGTHIKSA-N 399.878 3.457 0 1 GGAF OCCn1cc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cn1 473121108 FKLXLKYYJPYDEO-UHFFFAOYSA-N 387.418 3.468 0 1 GGAF Oc1nc(S)nc2[nH]c(/C=C\c3cccc(I)c3)nc12 587183556 DUUPFZGLOBPYLA-PLNGDYQASA-N 396.213 3.122 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnn1-c1ncccn1 587578481 AGMHCFIKNKDFGQ-FXAWDEMLSA-N 386.367 3.071 0 1 GGAF CCn1ncc(Br)c1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587411549 DONDFSUXMFCUBP-DIFFPNOSSA-N 377.238 3.337 0 1 GGAF CCOC(=O)CC[C@]1([C@@H](C)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587798598 PHGMALMSVHDPKN-CZIZLABSSA-N 388.277 3.042 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)c1ncc[nH]1 587586703 CWVDIQRFBDGSQI-PGRDOPGGSA-N 385.379 3.416 0 1 GGAF COC(=O)c1ccc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2c1OC 587247697 REMGVMQYQSRRQK-UHFFFAOYSA-N 382.420 3.405 0 1 GGAF Nc1ccc(C(=O)CCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 587251649 KZCUPIIKPBVDOD-UHFFFAOYSA-N 397.378 3.254 0 1 GGAF C[C@H](Nc1ncnc2[nH]cc(F)c12)c1nn2cccc2c(=O)n1-c1ccccc1 1772585559 XCNFGCBUHGJVHN-LBPRGKRZSA-N 389.394 3.069 0 1 GGAF Cc1ncc(C)n2nc(CCc3ccc4cc5c(cc4n3)OC(F)(F)O5)nc12 1772631075 KAWKUSXEOQYISU-UHFFFAOYSA-N 383.358 3.396 0 1 GGAF CCc1n[nH]c(=O)n1CCCCCCCCCCCCn1c(CC)n[nH]c1=O 5822435 AQNDBNVYIAGBKV-UHFFFAOYSA-N 392.548 3.182 0 1 GGAF Cc1ccc2oc(=O)c(C(=O)Nc3c(C(=O)O)cnn3-c3ccccc3)cc2c1 1857656695 LQWSWUKOXSJCLB-UHFFFAOYSA-N 389.367 3.238 0 1 GGAF CCC=CCC=CCC=CC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C=C[C@@H](O)CCC(=O)O 2356311902 XAFFULPVQSAGOV-XNTOXWQXSA-N 378.509 3.375 0 1 GGAF O=C([C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F)N1CCOCC1 4051924 HEKKCANACBVHGV-MJGOQNOKSA-N 388.826 3.430 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5ncccc54)ccc31)[C@@H]1CC[C@@H](C2)N1 100632885 BRAKEXHXQMNJDV-GUYCJALGSA-N 392.484 3.114 0 1 GGAF O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)CN[C@H](CF)C2 29339933 JATJBEWEQNLJRG-HNNXBMFYSA-N 399.285 3.234 0 1 GGAF COc1cccc2c1CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 22941250 GLQGPKHLGDLFOL-UHFFFAOYSA-N 399.922 3.056 0 1 GGAF COC(=O)CN1C(=O)C2(CCN([C@H](C)c3ccccc3)CC2)c2ccccc21 28528482 HAQCWNMMTOKDIL-QGZVFWFLSA-N 378.472 3.301 0 1 GGAF Cc1nc(C)c(COC(=O)c2ccccc2I)nc1C 26257040 CCIUZUQSPCBUCO-UHFFFAOYSA-N 382.201 3.363 0 1 GGAF CCCCn1cc(C(=O)O)c(=O)c2ccc3c(nnn3Cc3ccccc3)c21 66102424 GLCDACSNUVCEFL-UHFFFAOYSA-N 376.416 3.293 0 1 GGAF CCOC(=O)C1=c2cc(OC)c(OC)cc2=C(CC)N(c2ccc(C)cc2)[C@H]1C 2356865216 WJTVCMYUTZCNRD-INIZCTEOSA-N 395.499 3.153 0 1 GGAF CCOC(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)c(CN)c(C)n2)CC1 66128587 XUVHZYWRBXRGMV-UHFFFAOYSA-N 399.466 3.070 0 1 GGAF CC(=O)NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 36216368 BDDHGMFOOKYNHZ-UHFFFAOYSA-N 393.531 3.253 0 1 GGAF COCc1[nH]nc2c1[C@H](c1ccc3c(c1)OCO3)N(c1ccc(OC)cc1)C2=O 199731274 OOLQIVYVOIJUMT-FQEVSTJZSA-N 393.399 3.043 0 3 GGAF CN(C)CCN[C@H](C(=O)NCc1ccccc1C(F)(F)F)c1ccccc1 40566888 OJQZMFSOKHSUMP-SFHVURJKSA-N 379.426 3.214 0 1 GGAF Nc1[nH]nc2nc(N3CCC(F)CC3)c3c(c12)CCN(Cc1ccccc1)C3 49088861 UMVHTJBYCVSGRZ-UHFFFAOYSA-N 380.471 3.037 0 1 GGAF Cc1cc(C)nc(NC(=S)N2CCN(c3ccc4cn(C)nc4c3)CC2)c1 198797892 QKIYTKYAJHCFQE-UHFFFAOYSA-N 380.521 3.104 0 1 GGAF Cc1cnc(N2CCN(c3ncccn3)CC2)nc1N[C@@H](C)c1ccc(F)cc1 82203858 POYHDVRHAZRWEU-INIZCTEOSA-N 393.470 3.214 0 1 GGAF O=C(C1CCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 95893476 BIRAUTLKEYTQRA-FSSWDIPSSA-N 390.483 3.193 0 1 GGAF COc1cc(-c2cccc(=O)n2-c2ccc3c(c2)OCO3)cc(OC)c1OC 96929951 AYRSYQACNLENQT-UHFFFAOYSA-N 381.384 3.259 0 1 GGAF COc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3nc(C)cc(N(C)C)n3)CC2)c1 253673316 GUYUEXAJPOSFAC-CALCHBBNSA-N 383.496 3.013 0 1 GGAF CC(=O)OC[C@H](O)[C@@](O)(CO)[C@@H]1C[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@@]32C)C1 473088002 HDYYOZGCKVOQKY-NZKLXDHZSA-N 396.568 3.293 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC[C@H]2CC(C(N)=O)C1 587740319 ANFWYSUUEOQATF-TXPMXQDWSA-N 381.289 3.239 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Oc3cc(OCC(=O)O)ccc31)O2 587407214 BBYXLZJRFYRZBB-QFIPXVFZSA-N 397.427 3.462 0 1 GGAF C[C@H]1CCc2c(sc3nc(SCC(=O)c4cccs4)n(N)c(=O)c23)C1 958026532 OJBKANMULKOPMO-VIFPVBQESA-N 391.543 3.333 0 1 GGAF COc1ccc(Cl)c2c1CCN[C@H]2c1c(Cl)nc2ccccn2c1=O 963256800 FPAWWNQGHIOVNN-MRXNPFEDSA-N 376.243 3.245 0 1 GGAF COc1ccc(-c2cn3c(C(=O)N(C)Cc4ccncn4)csc3n2)cc1F 11817114 ZQNONFQQUXZWRD-UHFFFAOYSA-N 397.435 3.273 0 1 GGAF O=C([C@H]1CCC(=O)N(C2CCCC2)C1)N1CCC(Oc2cccc(F)c2)CC1 11842334 HGLCIAYEZRMEDB-INIZCTEOSA-N 388.483 3.377 0 3 GGAF C[S@@](=O)c1[nH]c2cc(Br)cc(Br)c2c1[S@](C)=O 13449782 AWVBMHXHQPJBDF-SJORKVTESA-N 399.129 3.168 0 1 GGAF biogenic Cc1ccccc1S(=O)(=O)NC[C@@H](CCCCCC(=O)O)c1cccnc1 13730239 DUZKWSCSIAEVMZ-GOSISDBHSA-N 390.505 3.487 0 1 GGAF O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NC[C@H]1CCCO1 14984011 OYMSFDHQRJBRNE-OFNKIYASSA-N 380.488 3.107 0 1 GGAF CCC[C@@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCC2)CC1 19501913 BNXLMJUHMLQMMU-NRFANRHFSA-N 382.556 3.317 0 3 GGAF CC1(C)OC[C@H](CNC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)O1 166099371 WTXMXEQQNFCGJR-IBGZPJMESA-N 395.459 3.116 0 1 GGAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-n2nccn2)c1 167362807 ZUPMANPIDIDUOM-QAPCUYQASA-N 392.459 3.394 0 1 GGAF Cc1nn(-c2cccc(F)c2)c2c1[C@H](c1ccc(F)cc1)CS(=O)(=O)O2 1857553006 HUWIMJHYMXVUNM-INIZCTEOSA-N 376.384 3.313 0 1 GGAF CCN1CCN(c2cc(Nc3ncc(-c4ccccn4)s3)nc(C)n2)CC1 1857574075 YUPVZEIZRAKIAK-UHFFFAOYSA-N 381.509 3.189 0 1 GGAF COc1ccc(CC(=O)N2N=C(c3cccc(C)c3)C[C@]2(O)C(F)(F)F)cc1 1857636867 UIHRDNXYPUBHLK-IBGZPJMESA-N 392.377 3.434 0 1 GGAF COc1ccc2oc(=O)cc([C@@H]3CC(=O)Oc4c3c(=O)oc3ccccc43)c2c1 1857748219 JXTPHZCRHLCUQY-HNNXBMFYSA-N 390.347 3.349 0 1 GGAF O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F 4055236 ULRAOCBHQOOPAD-DOTOQJQBSA-N 397.233 3.333 0 1 GGAF Cc1ccc(C(=O)[C@@H]2[C@H]3[C@H]4CO[C@H](O4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1 4357352 WATWLKMHBUEMTE-QFYUOOQESA-N 387.435 3.019 0 1 GGAF Cc1ccc(C)c(Cn2nnc(C(=O)NCCc3ccc(Cl)cc3)c2N)c1 4934401 WGDCQUSHEDWKMX-UHFFFAOYSA-N 383.883 3.151 0 1 GGAF Cc1c(N2CC[C@@]3(CCC[C@H]3N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520943 ZBNSKAZSACITID-VGSWGCGISA-N 399.466 3.030 0 1 GGAF CS(=O)(=O)c1ccc(C2=NN(C(N)=S)[C@H](c3ccc(Cl)cc3)C2)cc1 66260242 BZNFRRPUMXAVHO-INIZCTEOSA-N 393.921 3.138 0 1 GGAF CN(Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)S(C)(=O)=O 66113003 BHOFVHSAFRMNNU-UHFFFAOYSA-N 387.427 3.161 0 1 GGAF Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@H]2COc3ccccc3O2)CC1 27887780 YICUZQYJOMEAKO-KRWDZBQOSA-N 379.460 3.115 0 1 GGAF CCS(=O)(=O)NCc1cncc(-c2c(C#N)c3ccc(Cl)cc3n2C)c1 116648150 UNQXIRZDOXDTMH-UHFFFAOYSA-N 388.880 3.205 0 1 GGAF CC=CC=CC=CC(=O)O[C@@H]1C=C2CO[C@H](O)[C@]2(O)[C@]2(C)CCCC(C)(C)[C@@H]12 2356764345 BIBMODCOJDZAGU-CVKACTFSSA-N 388.504 3.439 0 1 GGAF O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2 49629705 VGBYSYYSZQCANC-SFHVURJKSA-N 378.900 3.279 0 1 GGAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCCNc1ccccc1 82203836 LMLMSKDSQDRYKE-UHFFFAOYSA-N 389.507 3.031 0 1 GGAF COc1cc(N[C@@H](C)CCCNC(=O)NCCCCCO)c2ncccc2c1 43070252 AEDOWFZTDBNXEQ-INIZCTEOSA-N 388.512 3.286 0 1 GGAF CCCN1CCN(c2ccc(S(=O)(=O)Oc3ccccc3OC)cc2)C1=O 199032351 VNKSBBLRLCFZQX-UHFFFAOYSA-N 390.461 3.115 0 1 GGAF CCCCO[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40412919 RTGSUFNIQMVPQC-CZUORRHYSA-N 380.876 3.481 0 1 GGAF COc1cc(-c2c(CO)c(CO)c3n2-c2ccccc2C3)cc(OC)c1OC 43019349 FMLOYIAKBSWZPS-UHFFFAOYSA-N 381.428 3.059 0 1 GGAF Cc1onc(-c2cccnc2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1 143522179 MFFJBQJTKAXDHI-UHFFFAOYSA-N 392.337 3.311 0 1 GGAF C[C@@]1(Cc2ncccc2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586648 JGYNDIFIHBXTBQ-AVRDEDQJSA-N 391.379 3.448 0 1 GGAF CC(=O)Nc1cccc([C@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 587385412 CMBDZOZNTNAZRE-UVIRAJKCSA-N 379.460 3.472 0 1 GGAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(Br)nc3[nH]2)c1 586921784 FZLCVMDMGZMIKC-UHFFFAOYSA-N 380.267 3.105 0 1 GGAF COc1cc(Br)c([C@H](N)c2nc3ccc(O)cc3[nH]2)cc1OC 586975044 JHNUAJHZDGXWMY-HNNXBMFYSA-N 378.226 3.096 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(/C=C/C(=O)O)=COc2ccc(F)cc21 587384550 LYLORDVAWUFDOG-XGLIRFAXSA-N 381.359 3.494 0 1 GGAF CCOC(=O)C[C@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556901 PKLAAQSDLZXWRQ-KXBFYZLASA-N 378.327 3.311 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(CCS(=O)(=O)c4ccc(Cl)cc41)[C@@H](C2)C3=O 587453264 RBGVDIIAZRPSNX-IFXJQAMLSA-N 390.844 3.169 0 1 GGAF CCOC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581701 JCZQMRBMSPKALQ-QGZVFWFLSA-N 383.400 3.345 0 1 GGAF COC(=O)[C@]1(c2cn(C)c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429941 DYINYPFYJIMRJU-QRQCRPRQSA-N 377.396 3.003 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)C3CC3)CC2)N1 587770765 UIDXGJFKHQFIRO-LLVKDONJSA-N 381.289 3.350 0 1 GGAF O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1cc(C(F)(F)F)ccc1Cl 587368719 VYGWPVVYBGJPBY-UHFFFAOYSA-N 398.728 3.289 0 1 GGAF CCOC(=O)[C@H](CCC(=O)OC)[C@@]1(C)c2c(F)cccc2C[C@H]2CCCN21 963104081 GZQTWQJHFLNYPR-XFQAVAEZSA-N 377.456 3.194 0 1 GGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](C(F)F)([C@H]2CCCC2=O)N1 962974710 LDLCASOJYRICGE-SVTHCXHUSA-N 379.737 3.047 0 1 GGAF CCCCCn1c(=O)n(CC(=O)NC2CCCCC2)c(=O)c2c(C)cccc21 1772615648 QEYTWOKTXVEPQK-UHFFFAOYSA-N 385.508 3.111 0 1 GGAF CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)c2ccsc2)C1 13596846 RJYLEHILSMFAEO-QGZVFWFLSA-N 385.533 3.477 0 3 GGAF CCCCCC(=O)N[C@@H](Cc1ccc(OCCCCCCN)cc1)C(=O)O 13731021 XPBNOXAUOAVKAG-IBGZPJMESA-N 378.513 3.277 0 1 GGAF COC(=O)[C@@H]1C(Cn2cnc3ccccc32)=NC(=O)N[C@H]1c1cc(C)ccc1C 169691626 XLHIDMIWDLJMDO-UXHICEINSA-N 390.443 3.348 0 1 GGAF COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCN1CCCCC1)C2 3814004 JIMPGPISVDHAIE-PTLVVNQVSA-N 398.547 3.097 0 1 GGAF in-vitro COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)N1CCOCC1 4880758 ZBIPMAQXAUBTJJ-UHFFFAOYSA-N 391.899 3.406 0 3 GGAF COc1cc(N(C)C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 28231808 KMYLBLPBNZMPMC-INIZCTEOSA-N 387.911 3.419 0 1 GGAF COc1ccc(Nc2ncc(-c3ccccn3)cc2-c2nc(C)nc(N)n2)cn1 113243066 LLLMDFBWRUCEFN-UHFFFAOYSA-N 386.419 3.033 0 1 GGAF C[C@@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccccc2)CC1 2356650450 FWHILBPTSGCWQX-MRXNPFEDSA-N 377.444 3.357 0 1 GGAF C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Br)nc1 1911578816 PJSOMLBPRAITSD-SNVBAGLBSA-N 378.226 3.054 0 1 GGAF O=C(Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=O)NN1CCCCC1 40405231 XPEFICAIPSJTDH-UHFFFAOYSA-N 377.444 3.292 0 1 GGAF COc1cccc(Cc2noc(-c3cccc(OC)c3OC3CCNCC3)n2)c1 225201604 LMLJWCIIMLJGMG-UHFFFAOYSA-N 395.459 3.475 0 1 GGAF CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2ccc(F)cc2F)ON1C 95591382 LSYQBGIGIYJHNA-KGLIPLIRSA-N 378.312 3.131 0 1 GGAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)c(=O)c2=O)cc1Cl 96928914 QMYLZTRBCRBRAV-UHFFFAOYSA-N 388.803 3.304 0 1 GGAF CN(C)c1ccc(C(=O)NCCN=c2c3c([nH]c4ccccc24)CCCC3)cc1 473090867 AYRWSXQHHKEJAX-UHFFFAOYSA-N 388.515 3.443 0 1 GGAF Cc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(C)C)P(=O)(O)O)cc2)s1 653716026 VKONUXHCJZOMEM-HNNXBMFYSA-N 389.435 3.162 0 1 GGAF Cc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(N(C)C)n1 587759021 ZTNFJAKHIQHGQN-ABKXIKBNSA-N 379.277 3.376 0 1 GGAF COC(=O)C[C@]1(c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587778214 LQNWFGHYUSLLCW-ADLMAVQZSA-N 393.256 3.324 0 1 GGAF O=S(=O)(Cc1nc2ccc(O)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950642 IKWYKRVYWBRFOS-UHFFFAOYSA-N 386.477 3.201 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1 586898718 KAUMBFHRAMEAGG-UHFFFAOYSA-N 391.537 3.178 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)(C(F)(F)C(=O)O)N1 587701176 AOJPTNIGNRCWEX-JKYUHCHBSA-N 378.188 3.448 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1ccc(Cl)cc1)O2 587408701 NTIXQWKUNNBRRD-GOSISDBHSA-N 379.865 3.136 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(F)cccc12 587571663 RNQRFHIALJUSIQ-IERDGZPVSA-N 377.327 3.341 0 1 GGAF COc1ccc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2n1 587111315 AEUJYILWBYKJIP-KRWDZBQOSA-N 378.354 3.385 0 1 GGAF C[C@@]1(Cc2ncccc2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586650 JGYNDIFIHBXTBQ-GCJKJVERSA-N 391.379 3.448 0 1 GGAF N=c1[nH]cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc-2[nH]1 587068677 WWYSNNQDGJKZTF-UHFFFAOYSA-N 377.795 3.483 0 1 GGAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Cl)ncc2[nH]1 586946492 ZACNQQYDSHTITD-UHFFFAOYSA-N 394.865 3.411 0 1 GGAF COc1cc(I)c([C@@H]2NCCc3cc(C)c(F)cc32)cn1 962377790 SJAWJWLIZHJENC-MRXNPFEDSA-N 398.219 3.377 0 1 GGAF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/CC1)O[C@@](O)([C@H]1CSC(=O)N1)C2 13827542 NSHPHXHGRHSMIK-VBAHMSQJSA-N 395.521 3.303 0 1 GGAF COc1cccc(C2=C(Nc3cc(Cl)c(O)c(Cl)c3)C(=O)NC2=O)c1 14946010 SDCHARFPZYFAKJ-UHFFFAOYSA-N 379.199 3.187 0 1 GGAF CN1C(=O)[C@]2(N=C1N)c1cc(C3CC3)ccc1CC21CCC(OC(F)F)CC1 150061164 CBQDXQVMGQAGBR-KUTOWUBSSA-N 389.446 3.270 0 1 GGAF O=C(NCc1ccc(CN2CCCCC2)cc1)c1csc2ncnc(O)c12 1857563843 HZBXQEGSUSKIMY-UHFFFAOYSA-N 382.489 3.313 0 1 GGAF Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)cnn1-c1nc(O)c2sccc2n1 1857578546 GXDGYNVUVVWKTI-NSHDSACASA-N 391.456 3.482 0 1 GGAF O=C(/C=C/c1ccc([C@@H]2CCCN2CCc2cnn3ccccc23)cc1)NO 117082980 LVZKUMSHZPXTOT-ZBWUASRJSA-N 376.460 3.233 0 1 GGAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCN1CCOCC1 4213436 RGVBPKLUYFPVEZ-RTBURBONSA-N 393.553 3.210 0 1 GGAF CCOCCCNC(=O)N[C@@H](C)c1c(-n2cccc2)sc2c1CCN(C)C2 6877422 FWIRTOGWWFBLQU-HNNXBMFYSA-N 390.553 3.314 0 1 GGAF CN(C)C[C@H](COc1ccccc1CCc1ccccc1)OC(=O)CCC(=O)O 29485311 FMMQQWLSGGDVIT-HXUWFJFHSA-N 399.487 3.189 0 1 GGAF COc1cc(CCNCCCN(C)C)c(Br)cc1Br 103269914 QCHYSIMRGVNXTL-UHFFFAOYSA-N 394.151 3.304 0 1 GGAF Oc1ccc(Br)cc1-c1nc2c[nH][cH-]c[n+]-2/c1=N\C1CCCCC1 61705228 DFAIDHGTPTUQFK-UZYVYHOESA-N 387.281 3.212 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C[C@]3(OC)OC(=O)C(C)=C3C[C@@]2(C)[C@H]1C 2356489770 JEEFDVONXYYLJM-OAJJXQPJSA-N 378.465 3.042 0 1 GGAF c1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@H](NCC5CCCCC5)CO[C@H]34)n2)cc1 2356810603 AZFAJCQJKRSIIJ-GXRSIYKFSA-N 394.519 3.260 0 1 GGAF O=C1c2cccc3c2c(nn3-c2ccc(F)cc2)CN1[C@@H]1CN2CCC1CC2 66104525 JCMOIELRWILJKV-HXUWFJFHSA-N 376.435 3.215 0 1 GGAF O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1Cc1ccc(Cl)cc1 6476531 ROGMKDFSAPPSLO-LJQANCHMSA-N 379.847 3.117 0 1 GGAF biogenic CNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 40934074 HLVKEFVFAFCJPE-UHFFFAOYSA-N 391.393 3.027 0 1 GGAF Cc1ccccc1-c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)co1 82074266 LHWVFTJEDMQOHG-SFHVURJKSA-N 380.400 3.050 0 1 GGAF CCCN1C(=O)N2C[C@H](CC)N=C2c2[nH]c(C34CCC(C(=O)O)(CC3)CC4)nc21 40575539 OPYSBGBVQBZGHC-GQKRIFGNSA-N 399.495 3.277 0 1 GGAF COCCNc1ncc2c(-c3ccccc3)nn(CC3CCC(N)CC3)c2n1 84653521 FWKPMQSKTCDKAE-UHFFFAOYSA-N 380.496 3.069 0 1 GGAF CC(=N)N1CC[C@H](Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)C1 148795305 KTJRHEDUTSBJEQ-AWEZNQCLSA-N 389.406 3.195 0 1 GGAF CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CN(C)C(C)=O 95895619 URWWHKBLCURBOC-XJUOHMSHSA-N 398.478 3.036 0 1 GGAF COc1cccc(NC(=O)N2[C@H](CNC(C)C)[C@H](c3ccccc3)[C@@H]2CO)c1 95894998 RLOBSZGUXAQKLP-HKBOAZHASA-N 383.492 3.054 0 1 GGAF C[C@]1(c2ccccc2)CC(=O)N(CN2CCN(c3ccc(Cl)cc3)CC2)C1=O 96921996 KRHKLCHAQOPRLP-JOCHJYFZSA-N 397.906 3.136 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(S(C)(=O)=O)cc1Cl)[C@@H](C2)C3=O 587448462 JILPHIZPCQPKLM-SCLBCKFNSA-N 378.833 3.241 0 1 GGAF O=C(O)/C=C\c1ccccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586878548 GFTBFBZLDAXAHL-KHPPLWFESA-N 387.399 3.387 0 1 GGAF CN1CCOc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc21 587585120 CKQMRMKWFRWETI-NQIIRXRSSA-N 390.395 3.319 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CS(=O)(=O)c3ccccc32)N1 587846604 UYVVDBOFZZGUKK-BTDLBPIBSA-N 396.281 3.153 0 1 GGAF CN(C)S(=O)(=O)c1ccc(OCc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 586931673 ITWSNIFMBWWKBC-UHFFFAOYSA-N 399.394 3.411 0 1 GGAF CCOC(=O)c1nnn(-c2c(C)[nH]c3ccc(F)c(Cl)c23)c1C(=O)OCC 587632540 ZFNFRXGSPXTSAW-UHFFFAOYSA-N 394.790 3.203 0 1 GGAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 586983337 BBCYRQAISHNIIG-GFCCVEGCSA-N 378.201 3.405 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](c1ccncc1)([C@@H]1CCCN(C)C1=O)CC2=O 587474175 FGSINCDOQLLVAJ-JPYJTQIMSA-N 394.471 3.469 0 1 GGAF O=S(=O)(O)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979203 JPLIYKQPUVKUAX-UHFFFAOYSA-N 388.630 3.288 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2c1 586878424 DAUHEAYKBIOTSU-FMIVXFBMSA-N 399.472 3.358 0 1 GGAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 586959056 NVCFPLIANZDOKZ-HNNXBMFYSA-N 385.367 3.051 0 1 GGAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586973654 QCBYPTJIQOOIER-LJQANCHMSA-N 396.516 3.375 0 1 GGAF CCCc1ccc([C@@]2(C(=O)OCC)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963026068 NEZGYRQFXNJYOD-BXKMTCNYSA-N 392.499 3.499 0 1 GGAF CN=[S@](C)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 1772576777 RVAMDEYUWMTDOW-HHHXNRCGSA-N 381.461 3.065 0 1 GGAF COc1cc(C(=O)O)ccc1NC(=O)NC(=O)c1ccccc1Br 13673981 QRQBZQJNBMQEPS-UHFFFAOYSA-N 393.193 3.118 0 1 GGAF O[C@H](Cc1cccc(Br)c1)CN1CCN(c2ccccc2)CC1 13824021 BHBJSXWPIOTVGL-LJQANCHMSA-N 375.310 3.175 0 1 GGAF COc1ccccc1C(=O)CCNC(=S)Nc1ccc(Br)cn1 14943876 CROHJOSBERFQRJ-UHFFFAOYSA-N 394.294 3.412 0 1 GGAF Cc1ccc(-c2noc(C3(O)CCC3)n2)cc1NC(=O)c1cnc2ccccn12 206125534 IMVBDLPHXQZTOB-UHFFFAOYSA-N 389.415 3.317 0 1 GGAF O=C(Nc1ccc(C(=O)N2CCn3cncc3C2)cc1)N1Cc2ccccc2C1 166093112 YBDCFBDWZWTOHA-UHFFFAOYSA-N 387.443 3.087 0 1 GGAF CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4c(F)cccc4o3)n2n1 205063372 RAPOHHXIZMPZAI-UHFFFAOYSA-N 389.408 3.095 0 1 GGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCc1ccccc1OC 4546426 HVAPQGWQARYBOF-DVNWRSDPSA-N 388.508 3.064 0 1 GGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(OC)c2c(C2CC2)n1)c1ccccc1 209402825 QJUJFIHZAGXFDM-OAHLLOKOSA-N 381.436 3.353 0 1 GGAF NC(=S)c1cccc(-c2cn(CC(CF)CF)c3cc(CO)ccc23)n1 1857595027 DKAJTYQJOCWKAM-UHFFFAOYSA-N 375.444 3.385 0 1 GGAF COc1cccc(Cc2cc(C)nn([C@@H](C)C(=O)Nc3ccc(F)cc3)c2=O)c1 1857595031 DVUHKFBZHDDROL-HNNXBMFYSA-N 395.434 3.490 0 1 GGAF COc1ccc(Cl)cc1[C@@H](C)NC(=O)NS(=O)(=O)c1ccc(C)cc1 1857635126 DCWDRRIMAIOERN-GFCCVEGCSA-N 382.869 3.406 0 1 GGAF Cc1c2c(=O)n(-c3ccc(F)cc3Cl)[nH]c2cc(=O)n1Cc1ccccn1 64447040 DMCXPJYWZNDCID-UHFFFAOYSA-N 384.798 3.025 0 1 GGAF Brc1ccc(OCCO[C@H]2CCCC[C@@H]2N2CCOCC2)cc1 117029305 ZRKQIHYNSZCMGE-ROUUACIJSA-N 384.314 3.488 0 1 GGAF CC(C)Nc1nc(-c2ccc(C3CCNCC3)cc2)cc2ncn(C)c(=O)c12 115625329 SSBBIZLECMBHFA-UHFFFAOYSA-N 377.492 3.283 0 1 GGAF COCCNC(=O)[C@@H]1C[C@@H](NCCC2=C(C)CCCC2(C)C)CN1C(C)C 20993907 PCPCDYHSYUAZAU-QUCCMNQESA-N 379.589 3.107 0 1 GGAF COc1cc(C(=O)O)nc(-c2csc(CCCCC(C)(C)O)n2)c1OC 1543512 XAJOGJGSQJPCNH-UHFFFAOYSA-N 380.466 3.404 0 1 GGAF biogenic CCCCCN1C(=O)[C@](C(=O)OC)(c2ccc3c(c2)OCO3)c2ccccc21 71333550 KJRILIYIVHUYLK-QFIPXVFZSA-N 381.428 3.411 0 1 GGAF COC1CCN(c2nccc(Nc3cc4[nH]c(-c5cn[nH]c5)cc4cn3)n2)CC1 219083018 ZYQLGVMUVCWJRA-UHFFFAOYSA-N 390.451 3.102 0 1 GGAF in-vitro Cc1cnc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)s1 40423340 BZNBQGZECIIUCR-UHFFFAOYSA-N 386.506 3.324 0 1 GGAF COc1cnc(N2CCC(CCCNc3ccc4c(c3)OCC4=O)CC2)nc1 84729815 JQGOEUVPXBVVGJ-UHFFFAOYSA-N 382.464 3.169 0 1 GGAF CO[C@H](C)c1cn(C2=NCC(=O)N3CCc4c(ccc(F)c4C4CC4)C3=C2)cn1 149205646 UGPTWQKBGHJFKJ-CYBMUJFWSA-N 394.450 3.293 0 1 GGAF NCc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1 96928689 PKNVADZYRVWQCE-UHFFFAOYSA-N 379.247 3.448 0 1 GGAF C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CCCOC(N)=N1 96929125 VSJNYKGDHZATGL-SFHVURJKSA-N 376.819 3.467 0 1 GGAF COc1ccc2oc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3Cc3cccnc3)cc2c1 95575848 BYPKCJYWMOWYEI-SIKLNZKXSA-N 391.471 3.272 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cncc(I)c1)O2 587386145 ILCUBJKUNCBILG-AWEZNQCLSA-N 380.185 3.283 0 1 GGAF CCCCCOc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1 587559929 PXEURFWWGSEWQC-UHFFFAOYSA-N 383.404 3.299 0 1 GGAF O=C1C[C@H](Cc2nc3cnc(Cl)[nH]c-3n2)c2c(Br)cccc2O1 587002317 DCLRKQMWWKROCC-ZETCQYMHSA-N 393.628 3.356 0 1 GGAF CC(=O)Oc1ccccc1[C@@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962971042 SHNDHXVZROAPNU-AUUYWEPGSA-N 395.789 3.406 0 1 GGAF Cn1c([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)nc2ccccc21 962968549 OTYWTEOMKQUUKI-MLGOLLRUSA-N 377.778 3.193 0 1 GGAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)N1Cc2ccncc2C1 205799034 DLHHFYXNVIMXSY-QGZVFWFLSA-N 386.496 3.144 0 1 GGAF in-vitro CCOC(=O)CCCNC(=O)C(=O)CCCCCCCCCCCC(=O)O 1857555162 CJUMAXNCELEBIY-UHFFFAOYSA-N 385.501 3.391 0 1 GGAF CC(C)n1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(Cc1ccccc1)CC2 1857557589 BBTMGYVRKJHSGO-UHFFFAOYSA-N 389.499 3.198 0 1 GGAF COc1ccc2[nH]c(N3CCC[C@@H](C(=O)NCc4ccc(F)cc4)C3)nc2c1 3048053 DYHNJGVRDOMWPE-OAHLLOKOSA-N 382.439 3.243 0 1 GGAF CSc1ccc(-c2nc(CSCC(=O)N3CCOCC3)c(C)o2)cc1 4101798 CYJJTSNMEGELMP-UHFFFAOYSA-N 378.519 3.464 0 3 GGAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCCOC 4153350 CRGSUWUMQBDEPW-PKOBYXMFSA-N 388.489 3.391 0 1 GGAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCCN1CCCC1=O 4214906 QFDCBJDKNHSKBF-UXHICEINSA-N 389.496 3.422 0 1 GGAF Cc1nc2nc(N(Cc3ccc(F)cc3)C(=O)c3ccco3)nn2c(O)c1C 103703370 HJUGGZVNGOPYBM-UHFFFAOYSA-N 381.367 3.026 0 1 GGAF Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)[C@H]3CCCO3)cc2c1 8579348 OEEDBHZQBUJUTR-LJQANCHMSA-N 380.444 3.446 0 3 GGAF CCOC(=O)N1[C@H]2CC[C@H]1CC(N1CCC[C@H](NC(=O)c3ccccc3C)C1)C2 101505661 AJSHPFXXSLQSKN-FHWLQOOXSA-N 399.535 3.341 0 1 GGAF COc1ccc(CNC[C@@H]2Cn3cc(-c4ccccc4OC)nc3CO2)cc1 2356298843 FRCVCAPCZIBINM-GOSISDBHSA-N 379.460 3.256 0 1 GGAF Cc1ccc(CN(C)C(=O)COC(=O)C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)c(C)c1 102256510 HGPRYHVFKGRADO-FFACFXHASA-N 385.504 3.136 0 1 GGAF COC(=O)c1ccc(OC)c(NC(=O)c2cnc3c(n2)C(C)(C)CC3(C)C)c1 26824375 MPEQMHJTYHTXNJ-UHFFFAOYSA-N 383.448 3.483 0 1 GGAF CC(C)C[C@@H](CN)CC(=O)OCC(C)(C)COC(=O)CC1(CN)CCCCC1 26567427 WKHCWCFXOORWMQ-GOSISDBHSA-N 398.588 3.409 0 1 GGAF CNC(=O)Nc1c(OCCCN2CCCCC2)c(OC)c2occc2c1OC 29408865 LKNPFABCVVXCCC-UHFFFAOYSA-N 391.468 3.456 0 1 GGAF C[C@H](O)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1ccccn1 29250272 GARPSDSXXHQDFE-VIFPVBQESA-N 377.322 3.248 0 1 GGAF C[C@]12CC[C@H]3[C@@H](C[C@H]4OC[C@]35CC[C@H](O)C[C@]45Br)[C@H]1CCC2=O 2356671930 PNLOSOCURUFDEO-LZPUMUNXSA-N 383.326 3.465 0 1 GGAF CC[C@H](C)[C@@H](NC(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C)C(=O)O 6358481 YLGBROPVSMFEAZ-HXPMCKFVSA-N 397.427 3.249 0 1 GGAF biogenic CC(C)N(Cc1ccccc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40918755 WNXCTRPTVDZMCG-OAQYLSRUSA-N 386.446 3.355 0 1 GGAF C[C@H]1C(=O)c2[nH]ncc2[C@@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 49035789 OFWZIXOHGWMONG-BJOHPYRUSA-N 399.394 3.155 0 1 GGAF CCN(CC)c1nc(NCCCCCO)nc(Oc2ccc(OC)cc2)n1 82067028 BKCMSAXMSFMVHZ-UHFFFAOYSA-N 375.473 3.093 0 1 GGAF Cc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccco2)sc1C 82165814 GWOWODTUUODTJD-ZDUSSCGKSA-N 383.477 3.179 0 1 GGAF CCCCCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195047251 NTMSESUVSZGDEE-MYUFBFDKSA-N 383.488 3.006 0 1 GGAF CCOC(=O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(OC)cc3)c2o1 96271909 RZJVSJYNTZDPDF-UHFFFAOYSA-N 385.347 3.370 0 1 GGAF CCc1cc2c(cc3c(=O)n(CC(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)ncn32)s1 250535265 WXLHPRCCYZJNIP-GZBFAFLISA-N 386.521 3.214 0 1 GGAF Cc1nccc([C@H]2C[C@@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)n1 261141051 NCFZOHVZLVQZGK-ONUMYQOESA-N 376.432 3.098 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1S(C)(=O)=O)[C@@H](C2)C3=O 587448712 MDZHPPVCZZWRFK-BBATYDOGSA-N 378.833 3.241 0 1 GGAF COC1=C[C@]2(C[C@@H](C(=O)O)C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587810794 LRXCOAKAXVPIAM-NSTVUXKKSA-N 384.245 3.343 0 1 GGAF C[C@@]1(c2nc3ccc(Br)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173402 ZVADLVQRAPBYJI-INIZCTEOSA-N 376.185 3.488 0 1 GGAF CCOC(=O)c1ccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 587093375 DCIXBMATEPLRRL-INIZCTEOSA-N 399.394 3.497 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)c1ncc[nH]1 587588979 MLAFXANWIMIBDG-GCJKJVERSA-N 385.379 3.416 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)CC(F)F)cc1)O2 587383841 WOKIDOWJZJRXOB-LJQANCHMSA-N 395.427 3.497 0 1 GGAF CC1(C)C[C@]2(C=C(C(=O)O)O1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617698 QNBWPKWZERAQQV-KKSFZXQISA-N 382.368 3.260 0 1 GGAF O=C1COc2cc3[nH]c(-c4ccc(C(F)(F)F)cc4C(=O)O)nc3cc2N1 587109906 WQFXJRUEFKKPFA-UHFFFAOYSA-N 377.278 3.278 0 1 GGAF COC(=O)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587147685 AOWXWFXOFMAUGU-ZDUSSCGKSA-N 385.370 3.144 0 1 GGAF COc1nccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586969950 REBDHSJUWPHZCS-UHFFFAOYSA-N 383.389 3.038 0 1 GGAF CSc1ccc([C@]2(c3[nH]c(O)nc3C)NCCc3c(C(=O)O)cccc32)cc1 963119370 DPFPMNKLDCQCMK-NRFANRHFSA-N 395.484 3.281 0 1 GGAF CNc1ncc([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)s1 962626356 BIUFPCIKRZQTHY-PMACEKPBSA-N 382.489 3.095 0 1 GGAF CCCCCn1c(C)c(-c2ccccc2)c(=O)n(CC(=O)NC(C)(C)C)c1=O 1772587795 XJAUXZAMCWNQTO-UHFFFAOYSA-N 385.508 3.090 0 1 GGAF Cc1cccc(N2C(=S)N[C@@H]3c4ccccc4O[C@@]2(C)[C@H]3C(=O)N(C)C)c1 13497262 OLXAPWYUDOSCJE-OPYAIIAOSA-N 381.501 3.244 0 1 GGAF Cc1cccc(Cc2c3c(nn2C)CCc2cnc(Nc4ccn(C)n4)nc2-3)c1 169702320 HZASYIVVEDYKSX-UHFFFAOYSA-N 385.475 3.352 0 1 GGAF COc1cc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)ccc1O 1857632762 NPLQYSCFDUPUHZ-UHFFFAOYSA-N 390.461 3.296 0 1 GGAF COCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccccc1OC 2481001 CZJQWAGJJQRJIG-UHFFFAOYSA-N 382.416 3.402 0 1 GGAF CCOC(=O)N1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 100973129 MIJPPTLQSWKNDA-IYBDPMFKSA-N 381.384 3.497 0 1 GGAF CNC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccc(Cl)c(Cl)c1 114347487 BYUUFRNHCFTPTI-OAHLLOKOSA-N 390.274 3.408 0 1 GGAF COC(=O)[C@@H]1[C@H](O)CC[C@]2(C)CN3CCc4c([nH]c5ccccc45)[C@@]3(C)C[C@H]12 2356551421 FLJIHEZYIPIYQV-GSSZLLCSSA-N 382.504 3.211 0 1 GGAF O=C(CCNC(=O)c1ccccc1)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28379807 IZABDGKTROMFFY-FQEVSTJZSA-N 399.922 3.241 0 1 GGAF CCOC(=O)[C@@H](C(C)=O)[C@H](c1ccc(O)cc1)c1c(O)c2ccccc2oc1=O 40918936 LJUVFUZXAXLULL-ROUUACIJSA-N 396.395 3.104 0 1 GGAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)co1 82069361 DSGZDSJOVPUGEK-MRXNPFEDSA-N 393.443 3.412 0 1 GGAF COc1cc(C2=NCC(=O)N3CCc4c(cccc4-c4ccccn4)C3=C2)ccn1 149161265 QDJCRGRXYWUJKB-UHFFFAOYSA-N 396.450 3.381 0 1 GGAF CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cnn(C(C)(C)C)c4)nc3n2C1 148461957 OJPHUPWPAOYDSF-UHFFFAOYSA-N 394.479 3.010 0 1 GGAF CCNC(=O)Nc1cn(-c2ncc(F)cn2)c2cc(-c3cccnc3)cnc12 653764450 KHZZWRJEDBHEHJ-UHFFFAOYSA-N 377.383 3.158 0 1 GGAF O=S(=O)(O)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587169570 ZMFAXJWNQRXPFP-UHFFFAOYSA-N 399.407 3.074 0 1 GGAF CC(C)(C)OC(=O)NC1(c2nc3cc4c(cc3[nH]2)OCCO4)CCC(=O)CC1 587234808 XBNPOIVTKKKLTM-UHFFFAOYSA-N 387.436 3.197 0 1 GGAF COc1ccc(Cl)c2c1CCN[C@@H]2c1c(Cl)nc2ccccn2c1=O 963256799 FPAWWNQGHIOVNN-INIZCTEOSA-N 376.243 3.245 0 1 GGAF CN1CCc2c(Br)cccc2[C@@]12C(=O)[C@H]1CC[C@@]2(C(=O)O)C1(C)C 963278497 BLPXPEJGSUMMSA-ZNOIYHFQSA-N 392.293 3.222 0 1 GGAF COc1cccc([C@@H]2CC(=O)C[C@]3(C2)NC[C@@H]2CC(=O)N(C)c4cccc3c42)c1 963016947 DCWXHGCQWPPVBD-KCYKTTMJSA-N 390.483 3.481 0 1 GGAF COC[C@H](NC(=O)Nc1cc2[nH]nc(N3CCCC3)c2cn1)c1ccc(F)cc1 1772585350 YJOPYOPRVHHFMQ-KRWDZBQOSA-N 398.442 3.206 0 1 GGAF C[C@H](CNc1ccc(CCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 11422466 PBYLYDVMGVRMLG-KUHUBIRLSA-N 376.884 3.481 0 1 GGAF CC(C)C[C@@H](CO)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CCC1=O 13111155 PLMNTVMJYWPDBQ-AWEZNQCLSA-N 387.307 3.075 0 3 GGAF COc1ccccc1[C@H]1CN(CC(=O)NCCOC(C)C)Cc2ccccc2O1 15005822 XNFUSWZKCUPGRN-JOCHJYFZSA-N 398.503 3.172 0 1 GGAF CCOC(=O)[C@@H]1C(C)=Nc2ncnn2[C@H]1c1cc(Br)ccc1F 169690534 JFNDRVCCNPPIIJ-OLZOCXBDSA-N 381.205 3.054 0 1 GGAF CC(C)Cn1nccc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cccnc2C1 1857568600 XYGCMGMIYDCXIG-UHFFFAOYSA-N 393.447 3.245 0 1 GGAF Cc1c(CC(N)=O)c2cc(OCCCC(=O)O)ccc2n1Cc1ccccc1 2046971 STENXUCYNKOBHJ-UHFFFAOYSA-N 380.444 3.269 0 1 GGAF in-vivo CC=C(C)C(=O)O[C@@H]1CC=C(C)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C 2356445391 AIRAUUXPYGGOPL-GJLVWMSMSA-N 390.476 3.350 0 1 GGAF COc1ccc(-c2c(C(=O)O)c(C(N)=O)cc3ccc4c(c23)OCO4)cc1OC 28118178 FBLSXGLXVIURDS-UHFFFAOYSA-N 395.367 3.050 0 1 GGAF O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](C(F)F)C2 114841570 UWTKUNBQKQJYNL-BPYAMOTFSA-N 387.839 3.395 0 1 GGAF C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]12Cc1c(O)cc(CO)c(CO)c1O2 2356614769 HKXDGWGXOYVXIO-HGUPDLDMSA-N 390.520 3.284 0 1 GGAF CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1 224750676 IDFHOZXTYLJPIG-UHFFFAOYSA-N 382.420 3.339 0 1 GGAF Cn1cc2c(nc(NCCc3c[nH]c4ccccc34)n3nc(-c4ccco4)nc23)n1 95579189 QCJSUMWNJLEJCF-UHFFFAOYSA-N 398.430 3.407 0 1 GGAF CC[C@H]1[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@H]2C[C@@H]([C@H]3C[C@H](C)C(=O)O3)N3CCCC[C@H]1[C@H]23 255214337 GYOGHROCTSEKDY-CHTJJOLOSA-N 375.509 3.015 0 1 GGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)ncc2[nH]1 586936005 LAYZZJXBJLWJGF-LBPRGKRZSA-N 396.925 3.384 0 1 GGAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587204311 PDIIQAHBMVADGW-LJQANCHMSA-N 394.475 3.221 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cncc(OC)c3[nH]2)cc1 587038630 AJJGUIJCEAQXLA-OAHLLOKOSA-N 384.461 3.253 0 1 GGAF N=c1[nH]ccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c12 587114421 SPURMZAEWALQDC-UHFFFAOYSA-N 381.383 3.261 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3[nH]c(=N)sc3C2)N1 587856545 IHQBKCXSXWSEBM-ZKANADHPSA-N 382.302 3.376 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@]2(Cl)CCOC2=O)N1 587691172 CVROJLZDRSIBIG-YIUPMNOESA-N 376.653 3.262 0 1 GGAF CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1Br 586980197 QXZOWSJDTUEFIV-UHFFFAOYSA-N 379.214 3.276 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H]1COCCN1C(=O)OC(C)(C)C)O2 587395531 NTKOWCRPTDSIJS-SZNDQCEHSA-N 390.480 3.327 0 1 GGAF COc1ccc(-c2cccc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c2)cc1O 587787844 YOLZWNIWXDFFLC-UHFFFAOYSA-N 395.440 3.259 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1c(Cl)cccc1N1CCOCC1)NCC2 962922661 FYJWAQYMPNBZCD-NRFANRHFSA-N 399.922 3.114 0 1 GGAF CCCN1CCN(c2nc(C(=O)OCC)nc3sc4c(c23)CCCC4)CC1 5093341 LROSDMCZLNDRIG-UHFFFAOYSA-N 388.537 3.279 0 1 GGAF O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C3CCCCCC3)CC2)CC1 12442178 ACHTVAWNTNIJDM-JOCHJYFZSA-N 391.600 3.181 0 3 GGAF CS(=O)(=O)c1ccc(-c2cc(CCO[N+](=O)[O-])nn2C2CCCCC2)cc1 13560522 DZDIEAKDIYWMBU-UHFFFAOYSA-N 393.465 3.210 0 1 GGAF COc1nc(N2CCOCC2)ccc1-c1cc2c(C(=O)O)c[nH]c2cc1Cl 205310000 CXERMAZBUDCCIL-UHFFFAOYSA-N 387.823 3.427 0 1 GGAF CCCn1c(O)c(C(=O)Nc2ccccc2C(=O)OC)c(=O)c2ccccc21 4328615 SLDUBZPTRPEQML-UHFFFAOYSA-N 380.400 3.156 0 1 GGAF COc1ccccc1N1CCN(CCCNC(=O)C23C[C@@H]4C[C@H]2C[C@@H](C4)C3)CC1 100840405 ZJOCEDFOQUAJHZ-GUHGBLDKSA-N 397.563 3.150 0 1 GGAF OC[C@@H]1[C@H](O)C[C@H](NC2CCCCC2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356289787 ZEQAMAHESFGWEN-XMGTWHOFSA-N 399.510 3.105 0 1 GGAF CCOC(=O)c1c(C)cc2cnn(-c3ccc(NC(C)=O)cc3)c(=O)c2c1C 28756350 QSPSUJAYIYSUQU-UHFFFAOYSA-N 379.416 3.138 0 1 GGAF COc1cc(O)c2c(c1)OC[C@](O)(c1ccc3c(c1OC)C=CC(C)(C)O3)C2=O 2356660274 DBYYEVTTXJMFLT-QFIPXVFZSA-N 398.411 3.057 0 1 GGAF O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)NC(=O)n1nnc2ccccc21 28113989 ANTPFYLQZPZACB-LJQANCHMSA-N 391.475 3.049 0 1 GGAF Cc1cc(NC(=O)c2nnc(Nc3ccccc3F)o2)ccc1N1CCOCC1 34635798 SEQUCPOOQSZJDC-UHFFFAOYSA-N 397.410 3.350 0 1 GGAF COc1ccc(Br)cc1[C@@H]1N(c2nccs2)C(=O)[C@H]2CCCN12 36082176 AVIOAFPKRLMJBI-OCCSQVGLSA-N 394.294 3.424 0 1 GGAF COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N)CC2 73293590 DSHKSQLFKDTXKT-ZDUSSCGKSA-N 391.851 3.348 0 1 GGAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO 78938965 YUKILNRONMAMTM-NKDIASRKSA-N 395.584 3.342 0 1 GGAF in-vitro Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(Cl)c1 34641397 RXMROYPWKDYKEM-UHFFFAOYSA-N 382.800 3.001 0 1 GGAF CCn1ncc2c(NC3CCOCC3)c(C(=O)N(C)Cc3ccccc3)cnc21 45484214 LXMPLULACZGKHT-UHFFFAOYSA-N 393.491 3.314 0 1 GGAF COCCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccccc1 82214629 WJOAYAYVYHRTHA-UHFFFAOYSA-N 380.448 3.423 0 1 GGAF COCCO[C@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O 49111471 BHUQHNKPTRMIAK-GOSISDBHSA-N 389.249 3.228 0 1 GGAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nc(-c3ccccn3)no2)n1 142083858 KACVVUGWNPNASY-TZMCWYRMSA-N 395.423 3.076 0 1 GGAF CCC(=O)N1[C@@H]2CN(C(=O)Nc3cccc(Cl)c3)c3ccccc3[C@@H]2[C@@H]1CO 95893929 QPNBZJWQHUKIQO-HBFSDRIKSA-N 399.878 3.457 0 1 GGAF COc1cccc(CNc2cccn3nc(Nc4ccc(OC)nc4)nc23)c1 96169894 UZIMONQAZGTUAD-UHFFFAOYSA-N 376.420 3.497 0 1 GGAF CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)O[C@@H]2O)[C@@]2(C)CCCC(C)(C)[C@H]12 96923691 ZHDFOHJIRGVVGC-IFQRYZMPSA-N 394.508 3.103 0 1 GGAF in-vitro CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(O)[C@@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@@]23O)C1 255271468 UICHNFBCPSZVBP-DBGHHUQMSA-N 392.536 3.396 0 1 GGAF O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc3[nH]ncc3c1)CC2 299858232 DLTXCYSLIIKVRM-UHFFFAOYSA-N 381.867 3.385 0 1 GGAF O=S(=O)(c1ccc(OC2CCCC2)cc1)N1CCC[C@H](Cn2ccnc2)C1 653912927 ZRCRTKJDNGKBTN-QGZVFWFLSA-N 389.521 3.305 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3[nH]c(=N)sc3C2)N1 587853555 AETRSDMPZJEXJK-ZKANADHPSA-N 382.302 3.376 0 1 GGAF O=C(O)CCN(CCc1nc2cc3c(cc2[nH]1)OCCCO3)Cc1ccccc1 587193318 HDDADVDTOZXFHS-UHFFFAOYSA-N 395.459 3.244 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCC(=O)[C@H](C)NC(=O)OC(C)(C)C)O2 587391149 SMQVWKSDSQSSRK-STQMWFEESA-N 376.453 3.174 0 1 GGAF CCN(CC)c1ccc(-c2nn(-c3ccnnc3)c(=O)c3ccccc23)c(O)c1 587664670 GPHJCFZDYDYYOT-UHFFFAOYSA-N 387.443 3.395 0 1 GGAF Brc1cc2nc(C[C@H]3COCCO3)[nH]c2cc1Br 586910591 RIBHIAUDTIIVMR-ZETCQYMHSA-N 376.048 3.046 0 1 GGAF Cn1cc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cn1 586987269 MIBPQRVVMSLTJO-UHFFFAOYSA-N 385.379 3.179 0 1 GGAF COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 587584764 AJFJNSHEALIMBX-XLIONFOSSA-N 377.352 3.277 0 1 GGAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 586983340 BBCYRQAISHNIIG-LBPRGKRZSA-N 378.201 3.405 0 1 GGAF COC(=O)c1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2n1 587023592 QUJFPFYIDVIGHK-UHFFFAOYSA-N 375.410 3.215 0 1 GGAF CCCCC[C@@H](O)CCC[C@H](CCCCCCC(=O)O)S(=O)(=O)CCO 144419515 RWCBBFGXZXCUJG-MSOLQXFVSA-N 394.574 3.299 0 1 GGAF O=C(O)CN1CCC2(CC1)CCN(c1cc(OC(F)(F)F)ccc1F)CC2 1772603534 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O=C(O)CC1(c2ccc(OC[C@H]3COc4ccc(Cl)cc4O3)cc2)COC1 1857654705 JSMAJKPIETZBGJ-INIZCTEOSA-N 390.819 3.302 0 1 GGAF CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@@H]1c1cccs1 6722152 SCWHCAYEFQZPMS-OALUTQOASA-N 377.469 3.370 0 1 GGAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1[nH]c(CC)nc1Cl 103287050 HMSCCUBVPVXWCT-OAHLLOKOSA-N 395.887 3.375 0 1 GGAF CCC(C)(C)[C@@H](O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1ccccc1 26970615 OTRNZHCNNPSPJM-OALUTQOASA-N 375.509 3.341 0 1 GGAF CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(F)cn4)CC3)c2o1 114868732 JYXZCGMXPABTBZ-UHFFFAOYSA-N 396.466 3.033 0 1 GGAF Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)CCCC3=O)cc2)cc1C 28524241 OWDQOZHDQPWDHV-UHFFFAOYSA-N 379.412 3.387 0 1 GGAF COc1cc2c(cc1OC)[C@@H]1C[C@]3(CNC(=O)O3)[C@@H](c3ccccc3)CN1CC2 29216309 CESOVOPGUGDXTL-MSYCTHLASA-N 394.471 3.269 0 1 GGAF Cc1cc([C@@H](c2ccc(C(C)C)cc2)N2CCN(S(C)(=O)=O)CC2)sn1 28249707 BZKOWCFEQIEUQL-LJQANCHMSA-N 393.578 3.242 0 1 GGAF CCOc1ccc(-c2ccnc3c2c(=O)n(Cc2ccccc2)c(=O)n3C)cc1 27704046 GSWXXVDIZZOKCV-UHFFFAOYSA-N 387.439 3.209 0 1 GGAF CN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1Cl 71296341 TWOICITWNIMEKO-UHFFFAOYSA-N 395.850 3.333 0 1 GGAF COc1cc(N[C@H](C)CCCNC(=O)NCCCCCO)c2ncccc2c1 43070256 AEDOWFZTDBNXEQ-MRXNPFEDSA-N 388.512 3.286 0 1 GGAF Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(C(=O)N[C@H](C)CO)s3)n2)c1 40915059 PEGXADGTBNRSGV-CYBMUJFWSA-N 397.504 3.380 0 1 GGAF CS(=O)(=O)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005891 YGISMPYLMZQEOI-UHFFFAOYSA-N 386.658 3.444 0 1 GGAF CCc1cc(O)nc(SCc2nc3ccc(Br)c(O)c3[nH]2)n1 586967871 GQINJBBXZTUAOJ-UHFFFAOYSA-N 381.255 3.381 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2ccnn2C)N1 587757300 GYTNCUKSNLXUEV-BACITOSSSA-N 393.304 3.175 0 1 GGAF O=S(=O)(c1ccc(Cl)c(-c2nc3ccnc(Cl)c3[nH]2)c1)N1CCC1 586955783 MTOJYAHGTANACZ-UHFFFAOYSA-N 383.260 3.326 0 1 GGAF CCCCOc1cc2nc([C@@H]3CSCC(=O)N3)[nH]c2cc1Br 587044591 ZMZYZIGSEZNZOO-LBPRGKRZSA-N 384.299 3.408 0 1 GGAF CCOC(=O)CSC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608770 SQAZWMMINFCDRH-YLJYHZDGSA-N 388.441 3.409 0 1 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CN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)N=C1N2)C1CCCCCC1 26935819 YKSFDUKDNBXUKV-UHFFFAOYSA-N 398.507 3.151 0 1 GGAF COC[C@@H]1C[C@@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1 117663678 RUJLVOBTFPKXGV-IRXDYDNUSA-N 389.459 3.090 0 1 GGAF COc1ccc(NCc2nc3c(c(SC)nn3-c3ccccc3)c(=O)[nH]2)cc1 64447735 KRCRFCMHEDRPHT-UHFFFAOYSA-N 393.472 3.451 0 1 GGAF COC1=C(OC)C(O)=C2C3=C4C(=C[C@H](OC)[C@@H]3OC)CCN(C)[C@@H]4CC[C@H]2C1 2356579916 LHDMAYOUGWKLGP-CUKHNGKTSA-N 389.492 3.087 0 1 GGAF C[C@H](O)[C@H](C=CC=CC(=O)O)[C@H](C)C[C@H](C)[C@@H](O)CC(=O)c1ccc(N)cc1 2356583127 KCSUEQGOSJTUAZ-GTXWJXBTSA-N 389.492 3.059 0 1 GGAF COC(=O)C=C[C@H](C)[C@@H](C=CC1=CCC(c2csc(C(C)(C)O)n2)=N1)OC 2356698231 OCOUTWGSFBZLMO-SUMWQHHRSA-N 390.505 3.384 0 1 GGAF CC(=O)O[C@@H]1C=C2CC[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)=C[C@]2(C)[C@@H](C)C1 2356797914 OPMBDFTWIJVUDF-RZTIYJNOSA-N 378.465 3.494 0 1 GGAF CCOC[C@@H]1C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@@H]2C)[C@@]31CCCN(C(=N)NC)C1 2356856923 SESVPRDMRMPBES-OZPJSICHSA-N 389.540 3.097 0 1 GGAF 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CNc1nnc(-c2ccc3[nH]cc(-c4ccnc(N5CCOCC5)n4)c3c2)s1 145439715 DWLRROMENORWQU-UHFFFAOYSA-N 393.476 3.022 0 1 GGAF COc1ccc(NS(=O)(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 96908635 IZXCIVOWGCTMRX-MDZDMXLPSA-N 379.434 3.134 0 1 GGAF CCCCCCn1c(-c2ccccc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 95592475 DSQCUCZJPJZOOD-UHFFFAOYSA-N 379.464 3.232 0 1 GGAF CC(C)CNc1cc(NCCNc2cc(-c3ccccc3)nc(N)n2)ncn1 96901504 VCWPYHKJCCZBJO-UHFFFAOYSA-N 378.484 3.108 0 1 GGAF CCC/N=c1\c(NS(=O)(=O)c2ccc(OC)cc2)c(O)oc2ccccc12 617996383 DTKPBPFAYDNUTB-JZJYNLBNSA-N 388.445 3.259 0 1 GGAF CCOC(=O)N1CCC(N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1 473150914 NHYLZNQBAJTZSS-UHFFFAOYSA-N 386.496 3.119 0 1 GGAF C[C@H](c1ccccc1)N(CC(=O)O)S(=O)(=O)c1ccc(OC(F)F)cc1 653795301 VPPQIKRYXIVXIE-GFCCVEGCSA-N 385.388 3.125 0 1 GGAF CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4cccc5c4c3CC5)CC[C@H]2CN1C(=O)OC 587212224 MCWGROCEYZCDRL-QOKNQOGYSA-N 394.471 3.383 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCn3nc(C(=O)O)cc32)N1 587797744 SGGVDMRYTIKHJH-XYZCENFISA-N 394.244 3.055 0 1 GGAF Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CN[C@H](C(=O)O)[C@H]41)-c1ccccc1C2=O 587096387 JIYORLFRJOZVJA-WAQMSGSHSA-N 384.435 3.457 0 1 GGAF N=c1[nH]c2c(s1)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617885 LSEQLGUFHHFWRO-YWZLYKJASA-N 380.425 3.455 0 1 GGAF CCS(=O)(=O)Nc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587450242 SCYCNGHGOVOCDK-UZLBHIALSA-N 387.457 3.120 0 1 GGAF C[C@]1(c2c[nH]c(C(=O)NC[C@@H]3CCCO3)c2)c2c(F)cccc2C[C@H]2CCCN21 963103757 LLQIIIPQFIQUPT-STSQHVNTSA-N 397.494 3.347 0 1 GGAF O=C1c2cc(O)ccc2O[C@@H](c2ccccc2)[C@]12NCCc1nc3ccccn3c12 962988385 YFZJQUCRQGOTTG-BJKOFHAPSA-N 397.434 3.398 0 1 GGAF CC(=O)NCC(=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 12224080 IDZXKTGUPPFUCK-GOSISDBHSA-N 380.444 3.036 0 3 GGAF O=C(Nc1ccc(C(=O)N2C[C@H]3CCO[C@H]3C2)cc1)N1Cc2ccc(F)cc2C1 167270314 XJIHPGKUHNEFIV-UZLBHIALSA-N 395.434 3.234 0 1 GGAF O=C(O)c1cccc(-n2c(/C=C/c3ccnc(O)c3)nc3ccccc3c2=O)c1 1857560673 IFNVTGHFHUTYRR-CMDGGOBGSA-N 385.379 3.355 0 1 GGAF CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N(C)C)cc1 4076889 QDRVVBVHIKYXLX-TZIWHRDSSA-N 381.476 3.331 0 1 GGAF O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(C(F)(F)F)cc3)ccc2O1 103262766 SRBAUVSQNXCPKM-UHFFFAOYSA-N 394.334 3.041 0 1 GGAF COc1ccc2c3ccc4cc5c(cc4c3n(CC(=O)O)cc-2c1=O)OCO5 26386081 ASHBLVQNGMSOOH-UHFFFAOYSA-N 377.352 3.081 0 1 GGAF Cc1ccc(S(=O)(=O)n2ccc3ccc(N4CCN5CCC[C@@H]5C4)cc32)cc1 29409606 LOCNIBUPFGMZHY-HXUWFJFHSA-N 395.528 3.471 0 1 GGAF O=C(Nc1nc2ccc3[nH]ncc3c2s1)[C@@H](CO)Nc1ccc(Cl)cc1 115719775 PXKQKKHBHPRTEG-CQSZACIVSA-N 387.852 3.238 0 1 GGAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2C(=O)CC[C@@H](C)[C@@]21C 2356847062 OTGXSXSAUGEVPE-WKPNBURKSA-N 376.449 3.106 0 1 GGAF CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC4(CC[C@]5(C)[C@H]3CC[C@@]21C)OCCO4 2128163 MVYBSGOPTLEZOA-RJNJOREHSA-N 390.520 3.224 0 1 GGAF biogenic Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3ccn[nH]3)n2)cc1 40934035 IJFMLKFWTKPUEN-UHFFFAOYSA-N 385.431 3.313 0 1 GGAF CC(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)CCN2 82204717 PJEJROPZSWEOQF-UHFFFAOYSA-N 397.306 3.249 0 1 GGAF CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2NC(=O)[C@H]1C 1911581729 YEMJIKMBTXBKRR-SNVBAGLBSA-N 377.395 3.397 0 1 GGAF O=C(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccn1 95894459 SDDANBMJLPDWNM-YTFSRNRJSA-N 385.467 3.071 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 95599824 RBMKJBGNFMBRRP-SFHVURJKSA-N 393.411 3.200 0 3 GGAF CCC[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(C)(=O)=O 95576675 PSOLULMELWKRFF-LLVKDONJSA-N 378.928 3.286 0 1 GGAF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 253619063 SDSTWQKFZBIDEK-XLLUQBADSA-N 390.520 3.462 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)c(F)cc12 587570435 KOTSXEFIJTYYPN-UWJYYQICSA-N 395.317 3.480 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2NC(=O)c3ccccc3N2)N1 587792959 IYCZQMSOLXDLJQ-XQYJLFIXSA-N 390.256 3.345 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1ccncn1 587585446 DTTMQRMZPVQDJP-OFNKIYASSA-N 397.390 3.483 0 1 GGAF O=C(O)c1cc(F)cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 587160882 HPUBOJSYKPAPAH-UHFFFAOYSA-N 389.749 3.500 0 1 GGAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@@H]1CN(C)CCO1)[C@@H](C2)C3=O 587420731 IXFBDSIMCPLTEF-LQBOVUBWSA-N 399.874 3.322 0 1 GGAF CN(C)CCOc1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 587038933 CJADEOOVZCKKFG-INIZCTEOSA-N 392.525 3.486 0 1 GGAF CCOC(=O)[C@@H]1CSC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587859640 YAGSDLYNQJTJTD-ABYOOWDOSA-N 388.302 3.244 0 1 GGAF C[C@H]1C[C@]2(C[C@@H](C)N1C(=O)OC(C)(C)C)N[C@H](C(=O)O)Cc1cc(F)ccc12 962890164 BYXJNOSZBPLTPD-KJKKEZGBSA-N 392.471 3.428 0 1 GGAF CS/C=C\C(=O)O[C@H]1Cc2c(cc3oc(C)cc(=O)c3c2O)OC1(C)C 5724661 SPAMVRJQZFCUHE-YVACAVLKSA-N 376.430 3.309 0 1 GGAF Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)CCN2CCCCO2)c1C 11879259 CSCARUAVYJYBQZ-LJQANCHMSA-N 382.508 3.400 0 3 GGAF CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)c2cn3cc(C)ccc3n2)C1 12445212 PNXKCKQVWQYZLE-IBGZPJMESA-N 377.492 3.164 0 1 GGAF C[C@@H]1CN(C(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)C[C@@H](C)O1 167465392 MCHRKTCZHVBNOL-HZPDHXFCSA-N 379.460 3.484 0 1 GGAF Cc1cccc(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)c1 205220257 DZEVRJRONYQBRC-CZUORRHYSA-N 394.855 3.211 0 3 GGAF COc1cc(OC)c(NC(=O)CSc2nc3cc[nH]cc-3n2)cc1Cl 103901012 CHMMAFKFZRHZLB-UHFFFAOYSA-N 378.841 3.311 0 1 GGAF CC(=CC(=O)OC[C@H](O)CO)CC[C@]1(C)[C@H](C)[C@H](O)C[C@@]2(C)C(C)=CCC[C@H]12 2356396161 CDDTUFYDAJIDKP-XPRTXTSQSA-N 394.552 3.379 0 1 GGAF O=C(c1cnn2c1N[C@H](c1ccccc1)C2)N1CCN(Cc2ccccc2)CC1 28704436 DJHMATLRCWOTQH-NRFANRHFSA-N 387.487 3.008 0 1 GGAF C[C@@H](N)CNc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1 66167123 AFCBIBSYJSKCST-CYBMUJFWSA-N 380.473 3.308 0 1 GGAF CCOc1ccccc1-c1nc2c(nc3ccc(Br)cn32)c(=O)[nH]1 28521697 FYNGKHZLJSDLKN-UHFFFAOYSA-N 385.221 3.399 0 1 GGAF CN(C(=O)OC(C)(C)C)[C@@H](CC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)O 2356866169 VMRWTXSZXQWXDI-XACAWQSSSA-N 381.469 3.209 0 1 GGAF CC(C)(C)c1ccc(OCCCON2C(N)=NC(N)=NC23CCCCC3)cc1 72105028 XOVLZAFANMHGAE-UHFFFAOYSA-N 387.528 3.290 0 1 GGAF Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2F)cn1 212121662 HFBVGOUBUMASPA-UHFFFAOYSA-N 398.463 3.316 0 1 GGAF CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CO[C@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O 13411514 PGTQRMPLONEWBV-DOGZNHFLSA-N 396.480 3.431 0 1 GGAF biogenic Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4ccccc43)c(F)c2)cn1 45350264 PYBJDZMLARNEFE-UHFFFAOYSA-N 377.375 3.288 0 1 GGAF COc1ccc([C@@H]2CC(=O)c3cc(OC)c(OC)c(OC)c32)c(OC)c1OC 40919217 JELOQNSSFIIARN-LBPRGKRZSA-N 388.416 3.457 0 1 GGAF C=Cc1ccc(-c2cc(=O)c3c(O)cc(O)c([C@H]4CCN(C)C[C@H]4O)c3o2)cc1 141095412 FULPMHLTPCRTKC-HNAYVOBHSA-N 393.439 3.294 0 1 GGAF COc1ccc(F)cc1[C@H](NC(=O)CCc1scnc1C)C1CC(O)C1 230583958 IYTMVSNGDVNOGD-JWIMFUQQSA-N 378.469 3.160 0 1 GGAF COc1ccc(-n2cnc3c(sc4ncnc(NCC5CC5)c43)c2=O)cc1 95560550 BKXACALZUUCPDW-UHFFFAOYSA-N 379.445 3.221 0 1 GGAF CC(C)n1cc(-c2cc(-c3ccc(F)c(CN4CCOCC4)c3)cnc2N)nn1 142688187 DSFUIEQGUQISBM-UHFFFAOYSA-N 396.470 3.142 0 1 GGAF O=C1CCc2cc3nc(CSc4nc(-c5cccnc5)no4)[nH]c3cc2N1 586966627 GYEONQZDARHJLX-UHFFFAOYSA-N 378.417 3.185 0 1 GGAF CC(C)n1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c2ccccc2c1=O 587653615 CFPLNYKALUFGKH-UHFFFAOYSA-N 394.818 3.029 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(-c3cccc(F)c3NC)[nH]c2c1 587135431 AISQRRJMSDRNJA-UHFFFAOYSA-N 376.457 3.489 0 1 GGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 587232465 XKUVOVCSGFTTHF-QWHCGFSZSA-N 385.386 3.498 0 1 GGAF N[C@]1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CCOC1 587245911 AVJLBNNJWNUKIU-GOSISDBHSA-N 388.265 3.479 0 1 GGAF Nc1ccccc1[C@]1(c2ccccc2C(=O)O)NCCc2nc3ccccn3c21 962984896 OKINDBAXFPKLGE-QHCPKHFHSA-N 384.439 3.052 0 1 GGAF Cc1[nH]nc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)OC3(C)C)c1Cl 1772630881 YSRXUGCRXKONTJ-UHFFFAOYSA-N 396.900 3.371 0 1 GGAF Cc1ncc(C2([C@@H](C)NC(=O)c3c(F)cccc3Cl)CCOCC2)cn1 1772649451 MQWUFPQPJYHBKY-GFCCVEGCSA-N 377.847 3.444 0 1 GGAF COc1ccc2cc(C(=O)N3CCN(c4ncccc4NC(C)C)CC3)[nH]c2c1 5963020 KNZJWJRPUPRXNG-UHFFFAOYSA-N 393.491 3.354 0 1 GGAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 169685534 GTMOGHHWTKSVCD-RPWFAHAXSA-N 377.506 3.257 0 1 GGAF NCc1cc(Oc2cccc(C(=O)NCc3cc4cc(F)ccc4[nH]3)c2)ncn1 1857568128 ZQKITIZLSXWKKH-UHFFFAOYSA-N 391.406 3.278 0 1 GGAF Cn1c(=O)n(CCC(C)(C)O)c2cc(N=c3c(Cl)c[nH]cc3Cl)ccc21 1857602837 LVTNWWJDTUVCBK-UHFFFAOYSA-N 395.290 3.368 0 1 GGAF CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCN(C)C)[C@H]1c1cccs1 6875803 VWZVVNHZPAWIAI-VQTJNVASSA-N 399.560 3.363 0 1 GGAF COc1ccc(C[C@@H](OC(C)=O)c2cc(OC)c(OC)c(OC)c2)cc1O 26493198 LNDHXTCZIQBJFB-QGZVFWFLSA-N 376.405 3.274 0 1 GGAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1ccc(O)cc1 26948241 WUOSFMIYDBTNGO-SFHVURJKSA-N 389.492 3.254 0 1 GGAF C[C@@H](O)CCC/C=C\[C@@H]1C[C@H](O)C[C@H]1[C@H](O)/C=C/C(=O)OCc1ccccc1 29226881 DVUQTGOKLDWGKV-ZQXTWRSYSA-N 388.504 3.141 0 1 GGAF O=C(N[C@H]1C[C@H]1c1ccccc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28523802 VBZKKCQAHSFQIC-FNAHDJPLSA-N 377.488 3.369 0 1 GGAF FC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCNCC1 117663491 XQTDEFZROIJVJH-UHFFFAOYSA-N 377.423 3.415 0 1 GGAF CCCCN(C)c1nc(N)c(C(=O)c2cc(OC)c(OC)c(OC)c2)s1 73141835 ZDGDVVKOQLGHKH-UHFFFAOYSA-N 379.482 3.218 0 1 GGAF Cc1cc(C)nc(N(C)[C@H]2CCc3c(c4cc(F)ccc4n3CC(=O)O)C2)n1 145816622 LTTJTUVRKQRRHE-HNNXBMFYSA-N 382.439 3.266 0 1 GGAF Cc1cccc(NC(=O)Nc2cccc3c2[C@H]2CC4(CCN2C3=O)OCCO4)n1 140937603 YTFLYBIUUKGWSA-MRXNPFEDSA-N 394.431 3.068 0 1 GGAF O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C1 95557314 WCKFYMJNMQXPSP-OAHLLOKOSA-N 379.865 3.492 0 1 GGAF CC(=O)N1CCN(c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)CC1 144731428 VWNNPIQREZYJIA-IBGZPJMESA-N 376.378 3.134 0 1 GGAF O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1c[nH]c2ccncc12 96282801 VEIYADBFPGJGGX-UHFFFAOYSA-N 391.452 3.326 0 1 GGAF CCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)Nc3ccc(Cl)cc3)C[C@H]21 95894153 MFUNPCSXQBQZQG-GGPKGHCWSA-N 399.878 3.457 0 1 GGAF O=c1cc(CNCCNc2ccnc3cc(Cl)ccc23)n(C2CC2)cc1O 299840009 UNTNQNFGAKCMMM-UHFFFAOYSA-N 384.867 3.292 0 1 GGAF O=C(Cc1ccccc1)N[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 299863313 KXRGLENGQWTKJJ-FGZHOGPDSA-N 390.414 3.347 0 1 GGAF O=C1COc2cc(Br)ccc2N1CCc1nc2cccc(F)c2[nH]1 586999828 ISDHOJHWXGCVBV-UHFFFAOYSA-N 390.212 3.433 0 1 GGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)cc1 586939731 SDZVDPDCKYJNTG-JTQLQIEISA-N 391.424 3.144 0 1 GGAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)C(F)(F)C1 587131691 BICJNZSADBUSNJ-SSDOTTSWSA-N 393.316 3.293 0 1 GGAF O=C(Cc1ccccc1)NCCc1nc2cc(Br)cc(F)c2[nH]1 587228899 TVTQOGFUGHAWMZ-UHFFFAOYSA-N 376.229 3.366 0 1 GGAF CCc1ccc([C@@]2(CN3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587397387 AJYGYCFSEFJZBE-QHCPKHFHSA-N 380.488 3.333 0 1 GGAF Cc1c(C(=O)n2ncc3ccc(Cl)cc3c2=O)cnn1-c1ccccc1F 587652257 ZMRAZXVHDZCGDH-UHFFFAOYSA-N 382.782 3.372 0 1 GGAF COC(=O)Cn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587432189 UUTXZZHKTOESQW-QRQCRPRQSA-N 377.396 3.312 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1ccncn1 587585438 DTTMQRMZPVQDJP-NFBKMPQASA-N 397.390 3.483 0 1 GGAF O=C(Nc1cccc(C(F)(F)F)c1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651883 QMWVNGCGJAGIOT-UHFFFAOYSA-N 395.724 3.348 0 1 GGAF COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cscn3)C2)c1 12440424 INJGGQKLKPRJBH-OAHLLOKOSA-N 387.505 3.101 0 3 GGAF O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)cc2)CC1 13560112 XAAKCGAPUOGSOP-UHFFFAOYSA-N 389.927 3.171 0 1 GGAF O=C(O)CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 13672457 JTVWWLKUEHXOQG-UHFFFAOYSA-N 399.794 3.384 0 1 GGAF CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CCN(C(C)=O)CC2)cc1 13814234 NZDDYXVQIGPPAR-QHCPKHFHSA-N 393.531 3.422 0 1 GGAF CCC[C@H](CC1(C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)CCCC1)C(=O)O 169354502 DXFWFDIVNNUBBJ-BRWVUGGUSA-N 380.529 3.201 0 1 GGAF CCn1c(NCc2ccc(C(=O)NC3CCN(C)CC3)cc2)nc2ccccc21 205760338 CYQLJOOZOYMCLP-UHFFFAOYSA-N 391.519 3.492 0 1 GGAF COc1ccc(C[S@@](=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1 3827062 PXKLONWVHOFNCZ-NDEPHWFRSA-N 397.456 3.054 0 1 GGAF COCCOCOc1cc(Cl)cc(Cl)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 29408678 FNRPSMYZZQFSQR-XCUNLHGCSA-N 391.247 3.072 0 1 GGAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1[C@H]2CCC[C@H]1C[C@H](C(N)=O)C2 101136194 VSBPAZLSKLWBGS-WSMBLCCSSA-N 378.900 3.294 0 1 GGAF CN(C)c1c(-c2ccnc(N[C@H]3CC[C@H](O)CC3)n2)cnn1Cc1ccccc1 100252226 SZNPQONVZOSPLO-HDICACEKSA-N 392.507 3.170 0 1 GGAF CC(=O)Nc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3o2)cc1 101650663 RSYNZNNTLJLPEB-UHFFFAOYSA-N 395.367 3.269 0 1 GGAF CC(=O)N1[C@@H]2CN(CC(F)(F)F)C[C@H]1[C@H]2c1ccc(Br)cc1 100087979 UGADQBGRJQOXJV-WDNDVIMCSA-N 377.204 3.010 0 1 GGAF CN1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1 27415247 LBEILEIHUXTGHJ-CQSZACIVSA-N 391.374 3.076 0 1 GGAF O=C(O)C(Cc1ccc(OCCOc2ccc3c(c2)CCCC3)cc1)C(=O)O 27101121 IERLBDBFWXMBTP-UHFFFAOYSA-N 384.428 3.351 0 1 GGAF CC1(C)CC[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)[C@@H]3C(=C[C@H](O)[C@@H]12)CO[C@H]3O 2356746387 RPWLIMQSJINJKC-YLUXMVHTSA-N 398.499 3.320 0 1 GGAF CCN(CC)CCCNc1ccc2c3c(cccc13)C(=O)N(CCN(C)C)C2=O 40949899 MCNXMUXZNJZFRD-UHFFFAOYSA-N 396.535 3.141 0 1 GGAF O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C[C@@H]2CCCCN2)CC1 45373281 DANVVPWDWWKCMM-QHCPKHFHSA-N 391.559 3.495 0 1 GGAF CC[C@@H]1C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O1 83923597 VLXJANUFVJNWKB-FHOPWKSGSA-N 382.497 3.401 0 1 GGAF in-vitro OCCCOc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3 40977524 QPPZFSRZSRBETL-TZRRMPRUSA-N 385.548 3.421 0 1 GGAF COc1cccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)c1OC 221947173 BBJAUSOOJCONTL-SFHVURJKSA-N 396.226 3.423 0 1 GGAF CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 82143060 AWDSHSTXLLHZGX-UHFFFAOYSA-N 386.496 3.327 0 1 GGAF CC(=O)N(C)[C@H]1C[C@@H](n2cnc(NC(=O)Cc3cccc4ccccc34)c2)C1 253850942 HLUQDCJXKVVBRH-KDURUIRLSA-N 376.460 3.399 0 1 GGAF CCOC(=O)c1cnc(NC(=O)CN2CCC(Cc3ccccc3)CC2)s1 653872512 LBSJQXDOUPTVBE-UHFFFAOYSA-N 387.505 3.213 0 1 GGAF Oc1nc2cc3nc(Cn4nc(C(F)(F)F)c5c4CCCC5)[nH]c3cc2[nH]1 587119819 GTMALJDZOICIPK-UHFFFAOYSA-N 376.342 3.287 0 1 GGAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cncnc3[nH]2)c1 587050388 MWSOLJFZHXQPLN-VOTSOKGWSA-N 384.827 3.397 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCO)cc1 587596392 OHVNYOVJXDLYMV-DENIHFKCSA-N 378.380 3.466 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(CCNc4nc(Br)ccc41)[C@@H](C2)C3=O 587417036 INHFIGNNWBGHFG-KPZWWZAWSA-N 387.233 3.311 0 1 GGAF Cc1cc2c(cc1O)[C@@H](Cc1cccc(OC(F)(F)F)c1)N[C@H](C(=O)O)C2 963547225 ANEHBWHPNMSSLT-CVEARBPZSA-N 381.350 3.482 0 1 GGAF CC(=O)C[C@]1(c2ccncc2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962713182 TXOPNMSSHVSQPR-FUHWJXTLSA-N 396.340 3.061 0 1 GGAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccc(F)cc2)cc1 1772642440 SVKWMNJUBVQCMA-FQEVSTJZSA-N 395.434 3.439 0 1 GGAF O=C(NC1CC1)C1CCN(C2CCN(Cc3ccc4ccccc4n3)CC2)CC1 11662493 PSDBJMCESLTLDL-UHFFFAOYSA-N 392.547 3.190 0 1 GGAF COC[C@H]1CCCN(C(=O)[C@@H]2CCCN(c3nc(C)c4ccc(C)cc4n3)C2)C1 11966402 LEIOYXDWDVPTCB-RBUKOAKNSA-N 396.535 3.348 0 1 GGAF O=C(C[C@H]1CCCO1)Nc1ccc(NC(=O)N2Cc3ccc(CO)cc3C2)cc1 166367685 JEHFQEOLSATJNE-HXUWFJFHSA-N 395.459 3.234 0 1 GGAF COc1nccc2oc(-c3cnc4ccc(OC[C@@H]5CCCCN5)nn34)cc12 205344293 WFGGSCDJNHNYQI-ZDUSSCGKSA-N 379.420 3.067 0 1 GGAF CN[C@@H]1[C@H]2C=C[C@@]34[C@H](O)[C@H]5C=C[C@H]6C[C@@]5(C)C[C@@](O)(C6)[C@@]3(C2)C[C@]42CCC[C@@H]12 2356370940 FTAZEDHYICELSB-XMJAQVFLSA-N 381.560 3.425 0 1 GGAF CC(C)(C)c1noc(-c2ccc(F)cc2Cl)c1C(=O)NCCOCCO 2483880 XXMGWJRUOHGQGG-UHFFFAOYSA-N 384.835 3.170 0 1 GGAF CN(C)c1ncnc2c1C(c1ccc(Cl)cc1)c1c(ncnc1N(C)C)O2 4546365 HABRNGKHUAQEBJ-UHFFFAOYSA-N 382.855 3.338 0 3 GGAF CCCCC[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](N3CCCC3)C(=O)N21 26953876 BVJROXPAKCJCCZ-DYXWJJEUSA-N 394.519 3.094 0 1 GGAF COc1cc(OC)cc(-c2cc(-c3ccncc3)nc(N3CCOCC3)n2)c1 28123407 JARJLJFUEZNPKX-UHFFFAOYSA-N 378.432 3.059 0 1 GGAF C[C@@H](Nc1nc(Nc2cn(C)cn2)c2ccc(Cl)nc2n1)c1ncc(F)cn1 103260259 KKRWFGBMTXVZCB-SECBINFHSA-N 399.821 3.258 0 1 GGAF O=C(O)C[C@H]1CCN(C2CCC(F)(F)CC2)C[C@H]1Cc1nc2cnccc2[nH]1 2356305771 DXSPBHJLQIPOKG-ZIAGYGMSSA-N 392.450 3.491 0 1 GGAF O=C(Nc1cc2cccnc2cc1OCCCO)c1csc2cncnc12 113651799 XEAUBYMYSUYGFX-UHFFFAOYSA-N 380.429 3.253 0 1 GGAF COc1oc(C=C[C@](C)(O)CC[C@H](OC)C(C)=C[C@@H](C)O)c(C)c(=O)c1C 2356839557 LVQGAOXDSKNQRU-DAESXHAQSA-N 380.481 3.152 0 1 GGAF CN1CC[C@@]2(CCCCCC2=O)[C@]12C(=O)Nc1ccc(Br)cc12 49072307 MJLCNQXTLJBIKL-MSOLQXFVSA-N 377.282 3.452 0 1 GGAF O=C(NC(=S)NNc1ncnc2ccccc12)c1ccc(C(F)(F)F)cc1 84653483 JPZKSWDJZXHKMO-UHFFFAOYSA-N 391.378 3.280 0 1 GGAF OCc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1 96168830 BSOZGJQVWSJOFN-UHFFFAOYSA-N 384.439 3.452 0 1 GGAF CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@@H]1CCN(C2COC2)C1 146455351 JCZIHXQHUKXTMQ-GFCCVEGCSA-N 395.429 3.315 0 1 GGAF CCS(=O)(=O)c1ccc2[nH]c(N3CCO[C@H](c4ccc(F)cc4)C3)nc2c1 95575597 MGWUAVNRNAHPHM-SFHVURJKSA-N 389.452 3.074 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1cc(C)cn1 587870057 UNCACIAWHQCFCJ-UHFFFAOYSA-N 379.342 3.208 0 1 GGAF CCCN=c1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 587754159 JFPCPFQFHPQAGF-MGPLVRAMSA-N 379.277 3.246 0 1 GGAF C=CN1CC[C@@H]([C@]2(CSC)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587491124 ITNSBARTYROYPY-FOIQADDNSA-N 375.490 3.404 0 1 GGAF C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2c(C(=O)O)cccc2c1C1OCCO1 587638177 NKADCGJHGFUAAH-SNVBAGLBSA-N 376.409 3.497 0 1 GGAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cs1 587014586 UFRRZXCKVHUMKM-UHFFFAOYSA-N 386.437 3.293 0 1 GGAF COC(=O)C[C@]1(c2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619738 YYTNSVWQFVNCPW-WIYYLYMNSA-N 380.352 3.405 0 1 GGAF N[C@H](Cc1ccc(I)cc1)c1nc2cc(Cl)ncc2[nH]1 587183694 GWHWUAVDQMSCLS-SNVBAGLBSA-N 398.635 3.458 0 1 GGAF COCCOC[C@]1(C(C)(C)C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962971903 SWRDAKHDXYOGLH-UGSOOPFHSA-N 391.842 3.122 0 1 GGAF CC(=O)OC(C)(C)CC[C@@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962989639 GQUFERNXSOVWKQ-QWHCGFSZSA-N 375.799 3.380 0 1 GGAF CCCc1noc([C@@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)n1 963174031 AKPGDNPKDZVMMY-WCQYABFASA-N 389.761 3.383 0 1 GGAF CCn1cc(C(=O)NC(=S)Nc2ccccc2)c(-c2ccccc2)nc1=O 1772605075 DUMNLFFNBWSEMF-UHFFFAOYSA-N 378.457 3.057 0 1 GGAF COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2)cc1 13490295 CBACKTMMJCDOHA-FQEVSTJZSA-N 383.492 3.068 0 1 GGAF CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3Cc3c(O)n(C)c(=O)n32)cc1 169728882 ZPHHRACZFCEKBC-HXUWFJFHSA-N 375.428 3.314 0 1 GGAF COc1ccc(O[C@@H](C)CN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 205637503 YVEBIHRSAGYHFR-KRWDZBQOSA-N 393.487 3.402 0 1 GGAF CN(C)CCCOC(=O)[C@@](O)(Cc1ccccc1)c1cccc2c1OC(C)(C)C2 1669059 ZFYALDDPNSZUCP-XMMPIXPASA-N 397.515 3.325 0 1 GGAF Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)c2C)no1 3464888 MYPUQEMJBLHGQB-QKVFXAPYSA-N 398.463 3.074 0 3 GGAF Cc1cc2ccccc2c(=O)n1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 3654747 AFDQTAOQWZHOCR-UHFFFAOYSA-N 395.890 3.312 0 3 GGAF O=C(Nc1ccccc1)N1CCCC2(CCN(C(=O)c3csnn3)CC2)C1 3956164 FRZWSVOCPRHAEZ-UHFFFAOYSA-N 385.493 3.088 0 1 GGAF COc1cc([C@H]2COc3c(ccc(O)c3OC)C2)c(OC)c(OC)c1OC 6483532 HXMFOQRLTFPKOD-GFCCVEGCSA-N 376.405 3.154 0 1 GGAF biogenic,in-vitro Cc1cccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3S(=O)(=O)c2ccccc2)c1 101837212 QXYZMICFLQFEPP-PMACEKPBSA-N 398.528 3.499 0 1 GGAF O=C(Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O)c1cccnn1 28948876 PHMXSCYSMAICDA-UHFFFAOYSA-N 392.802 3.179 0 1 GGAF CC=C1CN2[C@H]3C[C@H]1[C@@](COC(C)=O)(C(=O)OC)[C@H]2Cc1c3[nH]c2ccccc12 2356459868 BTWSGPSNLRSENY-RKCFAAOBSA-N 394.471 3.138 0 1 GGAF COc1cccc(-c2cccc(N3CCC(NC[C@H]4CCC(=O)N4)CC3)c2)c1 23339842 PQDAFLAYXIXXKC-HXUWFJFHSA-N 379.504 3.199 0 1 GGAF COc1ccc(C2=NN(CCCCN(C)C)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26571190 ZFPQQBRXDLRJDH-QZTJIDSGSA-N 387.524 3.398 0 1 GGAF C[C@](O)(CS(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 73388640 DAVSJIXXNULHKV-KRWDZBQOSA-N 378.837 3.071 0 1 GGAF CC(C)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)C1 15671892 AOCMCLMWRVBFEG-FGZHOGPDSA-N 382.504 3.229 0 1 GGAF biogenic CCCO[C@@H]1C[C@H](CC)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40408083 NUAGUSVYUAKFOF-GOEBONIOSA-N 380.876 3.481 0 1 GGAF Cc1nc2cccc(-c3cc4n(c3)[C@H](CCO)CNC4=O)c2nc1NC(C)(C)C 222423599 QWIPSLMHCCVXCL-OAHLLOKOSA-N 393.491 3.284 0 1 GGAF CCCN(Cc1ccccc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40917713 FHPGIDVSZKOTLE-OAQYLSRUSA-N 386.446 3.356 0 1 GGAF COc1cnc2c(Nc3ccc(F)c([C@@]4(C)N=C(N)O[C@@H]5C[C@@H]54)c3)nccc2c1 226072066 AHSUGOLUVUBUCR-LUQKVYGDSA-N 393.422 3.470 0 1 GGAF COc1cc2nc(NCc3ccc(F)cc3)nc(NC[C@H](C)O)c2cc1OC 82129226 NVDSBAWCIJNPJT-LBPRGKRZSA-N 386.427 3.191 0 1 GGAF COc1nc(Nc2ccc(C(=O)N(C)C)cc2)ncc1-c1cc(C(=O)O)cs1 98207889 HXQTUKJNZNLOBD-UHFFFAOYSA-N 398.444 3.357 0 1 GGAF in-vitro O=C1c2cnn(-c3ccccc3)c2CCCN1C1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 95591778 DXTVIGRKFLRQSS-LWEMVKECSA-N 377.488 3.200 0 1 GGAF CCCC[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@H]12 253777050 DTVYAHOULQCSMS-BWQGHXGSSA-N 387.476 3.090 0 1 GGAF CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437602 HOZSWWGKKRLLGY-PEBXRYMYSA-N 381.428 3.488 0 1 GGAF CCS(=O)(=O)c1ccccc1-c1nc2c(F)cnc(Br)c2[nH]1 586922457 NONOHJQAQWZKAN-UHFFFAOYSA-N 384.230 3.320 0 1 GGAF COc1cc(C2(c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)CC2)ccc1C 587926468 HQGJPRCKTMNRQU-UHFFFAOYSA-N 385.489 3.210 0 1 GGAF CCOC(=O)C(=O)[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587799903 UUFHHWHSPKVPMX-KWFDTGPKSA-N 398.272 3.250 0 1 GGAF NC(=O)c1cccc(C[C@H](N)c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587260554 UELZPQIADAZEIM-SFHVURJKSA-N 386.455 3.483 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(F)c(OC)c3N)[nH]c2c1 587133459 QBRMQOOTPAFRLB-UHFFFAOYSA-N 392.456 3.038 0 1 GGAF C[C@@H](CC(=O)O)[C@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962891593 BZVJXJYHJZDEDB-PJFOTGOESA-N 391.826 3.432 0 1 GGAF CCOC(=O)C(F)(F)[C@@H]1CCC[C@@]2(C1)NC[C@H]1CC(=O)N(C)c3cccc2c31 963035082 YWGWMOQKKSNIJY-JZKQVHKSSA-N 392.446 3.324 0 1 GGAF COc1ccc(C(=O)c2c(C)n3c4c(cccc24)C[C@@H](N2CCOCC2)C3)cc1 13447482 AXUUNHPPRGXURN-LJQANCHMSA-N 390.483 3.446 0 1 GGAF COC(=O)[C@H]1[C@@H](c2ccc(/C=C/I)cc2)C[C@@H]2CC[C@H]1N2 13493590 GZWPHROGQGOESZ-BQEIEHELSA-N 397.256 3.489 0 1 GGAF CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(N3CCCCC3)cc2C1=O 13781502 OYXXATFJACEJGE-UHFFFAOYSA-N 396.491 3.404 0 1 GGAF N=C(NCCCc1c[nH]cn1)NCC[C@@H](c1cccc(F)c1)c1ccccn1 13816113 BFIAWQUMMUHFNN-IBGZPJMESA-N 380.471 3.213 0 1 GGAF CC(=O)[C@@]1(C(=O)Nc2nccs2)CC(c2ccccc2C(F)(F)F)=NO1 203474293 VQNGCYJEXKWYJN-OAHLLOKOSA-N 383.351 3.253 0 3 GGAF COc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C 1857746570 WYPTZUAFKHZQFH-UHFFFAOYSA-N 394.884 3.213 0 1 GGAF CN(C)c1ccc2c(-c3ccccc3)nn(Cc3nc(C(=O)O)cs3)c2n1 1857751641 JRZTVZHVIPMUEC-UHFFFAOYSA-N 379.445 3.367 0 1 GGAF CCC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@]3(OC)C[C@H]2[C@H]1O 2356421064 XRRGBBOAMABCAA-MJNUUZQMSA-N 392.492 3.288 0 1 GGAF CC(C)Cn1cc(C(=O)NC[C@H]2CCCO2)c2c3ccccc3n(C)c2c1=O 4057595 VIHNWMZSOCQWNX-OAHLLOKOSA-N 381.476 3.058 0 3 GGAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4216291 BFVXDSIVYSWWMQ-QXAKKESOSA-N 391.537 3.499 0 1 GGAF CC(=O)Nc1ccc(CN2CC[C@H](Oc3cccc4ccc(N)nc34)C2)cc1 28387095 NKIZOYQJLUEZMZ-IBGZPJMESA-N 376.460 3.429 0 1 GGAF CC(C)(C)CNc1cc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 28883837 CVFAKQFLXUZYFO-UHFFFAOYSA-N 376.404 3.148 0 1 GGAF O=C1NC(=O)[C@]2(CN(Cc3nc4ccccc4s3)c3ccc(Cl)cc32)N1 28229380 FAZBQMIONFTMSA-GOSISDBHSA-N 384.848 3.005 0 1 GGAF CC(=O)O[C@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 28367276 XUDPZJSYCMSVHA-PNLZDCPESA-N 398.411 3.081 0 1 GGAF N=C(N)c1c[nH]c2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc12 28000033 BFSJARPMQDCRGO-UHFFFAOYSA-N 396.516 3.095 0 1 GGAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)[C@@H]3C)n1 218835013 DMCGPNZWXATPEH-MRVPVSSYSA-N 392.847 3.115 0 1 GGAF CCN(CC)Cc1ccc(C(=O)N2CCc3cccc4c3[C@@H]2CNC4=O)cc1 45347190 QDZQRHYQJZFYFB-FQEVSTJZSA-N 377.488 3.011 0 1 GGAF CCNc1nc(N2CCN(c3ccccc3)CC2)nc2cc(OC)c(OC)cc12 82132183 ZJWYPFXDLILQHG-UHFFFAOYSA-N 393.491 3.405 0 1 GGAF O=C(O)Cc1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1 82151479 YKRZAYWJYMWLIZ-UHFFFAOYSA-N 381.354 3.170 0 1 GGAF O=C(NCc1ccc2c(c1)OCO2)[C@H]1CNC[C@H]1c1ccc(C(F)(F)F)cc1 45323748 ILFDPRBCGOKYQG-HOTGVXAUSA-N 392.377 3.054 0 1 GGAF C[C@@H]1CCCC[C@@H]1NC(=O)NCCOc1nnc(C2CC2)n1-c1ccccc1 1911584079 HRXYOIQACQDULT-QAPCUYQASA-N 383.496 3.401 0 1 GGAF O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2 49629707 VGBYSYYSZQCANC-GOSISDBHSA-N 378.900 3.279 0 1 GGAF CN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)CC1 84635824 DPQONKTXXSIFKR-UHFFFAOYSA-N 375.480 3.240 0 1 GGAF CCCCOCCCNC(=O)[C@H](C)NC(=O)c1csc(-c2ccccc2)n1 82070434 XDQHUIDLTVTOOS-HNNXBMFYSA-N 389.521 3.251 0 1 GGAF Cc1nc2ccc(CN3CC[C@@H](O)C3)cc2n2c(-c3ccccc3Cl)nnc12 95594434 JLLMMQQXVRIGOZ-OAHLLOKOSA-N 393.878 3.473 0 1 GGAF COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 96175205 ZAKOAAGMLYVQEK-DYVFJYSZSA-N 382.485 3.369 0 1 GGAF O=C(CC1CC1)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccccc1F)C2 95794737 OTEBBRBEWVHQRM-FYYLOGMGSA-N 394.490 3.167 0 1 GGAF CNC(=O)Cn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144865970 NAXPDMPEHJBDJZ-LJQANCHMSA-N 387.361 3.075 0 1 GGAF Cc1ccc2nc(C)c3nnc(-c4cc(OCCCO)ccc4Cl)n3c2n1 145712047 MYTWOYABQDJPSU-UHFFFAOYSA-N 383.839 3.371 0 1 GGAF C[C@@]1(c2cc(Br)cc(NC(=O)c3ccno3)c2)CCSC(N)=N1 141705126 YLCKZEZNPMEAHS-HNNXBMFYSA-N 395.282 3.356 0 1 GGAF CCN(C[C@@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)C(=O)c1ccncc1 95895099 OPNPVISNSSGKSU-ZRBLBEILSA-N 391.515 3.228 0 1 GGAF Cc1ccc(N2CCN(C(=O)C(=O)c3cccc(Br)c3)CC2)cc1 95604854 YEVDKQDENWPAGT-UHFFFAOYSA-N 387.277 3.289 0 3 GGAF CCOC(=O)[C@H](C)Oc1cc(N2C(=O)[C@@H]3CCCC[C@@H]3[C@H]2O)c(F)cc1Cl 299846566 UXOCOOGEWMHURA-KVFJLYFUSA-N 399.846 3.281 0 1 GGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cccc(C(=O)O)c4[nH]3)cc12 587038917 UYVPEVKKSCHJHU-SECBINFHSA-N 383.433 3.009 0 1 GGAF COC1(OC)CCOC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587359527 RURNMPJDNNGDLF-QUCCMNQESA-N 388.391 3.038 0 1 GGAF O=C1CSC[C@@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)N1 587042274 CGYAPLRIMKFHBB-QMMMGPOBSA-N 380.189 3.248 0 1 GGAF O=C(N[C@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)C(=O)O)OCc1ccccc1 587201669 ASBCEDMRWIFDMB-CQSZACIVSA-N 391.786 3.278 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]2COC[C@H]1CN(Cc1ccccc1)C2 587400001 NBRYYBJRVRXSNX-FEJSZKPUSA-N 378.472 3.060 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(F)cccc12 587737955 ILJKQCNMIUXXKA-QPFGOUBPSA-N 379.204 3.457 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=Cn3c(C=O)cnc32)N1 587774082 LFUIXUHQAZZSLZ-DYZYQPBXSA-N 376.229 3.249 0 1 GGAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(Br)nc2[nH]1)C(C)C 586932459 FRNMXMYPZZOGDU-GFCCVEGCSA-N 389.319 3.137 0 1 GGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc5cn[nH]c5cc4[nH]3)cc12 587036819 ALUZIXZKDBZUII-SECBINFHSA-N 379.449 3.187 0 1 GGAF COC(=O)c1ccc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2c1 586973592 PPZAJBFFRCYUTC-GOSISDBHSA-N 383.473 3.460 0 1 GGAF CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)CN2CCCCC2=O)C1 12314579 RXIZALUYZUWLNG-SFHVURJKSA-N 398.482 3.154 0 3 GGAF CC(C)(O)CCC[C@@](C)(O)CC(=O)c1cc(O)c(Br)cc1O 13430776 KGQBMEHTCOJIMT-MRXNPFEDSA-N 375.259 3.125 0 1 GGAF biogenic CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H]2N=C(SCCCC(=O)OC)C[C@@H]21 169292887 TUOQTRVLPKMMDB-YYRREFMQSA-N 383.554 3.338 0 1 GGAF in-man CCOC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@@H]1N2C 169302150 VOUOGJPPHPSUFT-FZKCQIBNSA-N 399.272 3.421 0 1 GGAF CC[C@H](C)O[C@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 169369150 WSZQVSPKYXOCEM-WWGRRREGSA-N 380.876 3.479 0 1 GGAF Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C[C@H]12 206390815 WBPSRWKILRBCDW-KRWDZBQOSA-N 387.439 3.124 0 3 GGAF CC(=O)Nc1cccc(NCC(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1 202052940 QILDHEURHSGJQY-UHFFFAOYSA-N 380.433 3.182 0 1 GGAF CC(C)(C)c1noc(-c2ccc(-c3ccccc3)cc2)c1C(=O)NC[C@H](O)CO 776261 HLKQTIXJPLAKAP-SFHVURJKSA-N 394.471 3.389 0 1 GGAF CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ncccc1Cl 27317175 KDCZTKXILGUIHT-HNNXBMFYSA-N 391.880 3.144 0 1 GGAF C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(CCc2ccc(Cl)cc2)CC1 22812805 MKIYNFAWYNPOJY-GOSISDBHSA-N 397.950 3.478 0 1 GGAF COc1ccc(-c2oc(=O)oc2CCN2CCN(c3ccccc3)CC2)cc1 27898191 PDXJEUYKJRDNMK-UHFFFAOYSA-N 380.444 3.273 0 1 GGAF c1nc(NCCCN2CCOCC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 64580649 IRVSOTJWMNVWQC-UHFFFAOYSA-N 392.459 3.160 0 1 GGAF N=C(NCCCc1c[nH]cn1)NCCS[C@@H](c1ccccc1)c1ccccn1 29571512 VLKXHVJDQKSHGN-FQEVSTJZSA-N 394.548 3.374 0 1 GGAF C[C@H](CO)Nc1nc(SCc2ccccc2Cl)nc2nc(N)sc12 28820827 OGMXRJZEOMMPFL-MRVPVSSYSA-N 381.914 3.407 0 1 GGAF COc1cc2c(cc1OC)[C@H]1O[C@H](OC)c3c(ccc4c3OCO4)[C@H]1NCC2 33833243 JEUAVYPZVKRQOZ-SBHAEUEKSA-N 385.416 3.036 0 1 GGAF CN(C)c1cccc(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)c1 43014587 RPLZDPSMOXZJNK-UHFFFAOYSA-N 398.507 3.498 0 1 GGAF O=C(NN1C(=O)CCS[C@@H]1c1cccc(C(F)(F)F)c1)c1ccncc1 84616612 JVMIYXJOXGGZLI-MRXNPFEDSA-N 381.379 3.410 0 1 GGAF CC(=O)N1CCN(c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)CC1 144731611 VWNNPIQREZYJIA-LJQANCHMSA-N 376.378 3.134 0 1 GGAF O=P(O)(O)C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)P(=O)(O)O 96286202 VRCNSKZUURJQAN-UHFFFAOYSA-N 393.656 3.183 0 1 GGAF CCCCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O 141960620 HUCLTXHWXFAGPM-UHFFFAOYSA-N 385.291 3.497 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2C(=O)O)N1 587772755 WDMZFUGHNPDHLZ-XLFHBGCDSA-N 379.229 3.479 0 1 GGAF CS(=O)(=O)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587168873 QCJKOSJQYJUJMG-UHFFFAOYSA-N 397.435 3.231 0 1 GGAF C[C@]1(c2cccnc2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587741 OFTCXIVLUDNKOP-HRAATJIYSA-N 377.352 3.362 0 1 GGAF COc1ccc(CN2CC[C@]3(CC2=O)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 587435588 GSPNQXHFSRNCOO-WZONZLPQSA-N 393.439 3.013 0 1 GGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 587230104 FISUEEIFAAPCKR-RYUDHWBXSA-N 385.386 3.498 0 1 GGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(C)cnc(Cl)c3[nH]2)cc1 586941434 STYHKEABIPORCV-BQYQJAHWSA-N 376.869 3.318 0 1 GGAF Nc1cccc(C(=O)O)c1-c1nc2ccc(I)cc2[nH]1 587248910 YTVKSYVEQGXMFT-UHFFFAOYSA-N 379.157 3.115 0 1 GGAF COC(=O)c1ccnc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c12 587127537 WDOHHMQMYDWHLG-UHFFFAOYSA-N 377.282 3.186 0 1 GGAF CC[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)CC(=O)c2cc(C)cc(N)c2O1 587409293 LEZWWJFUUGWRIQ-SFHVURJKSA-N 394.880 3.149 0 1 GGAF C[C@@]1(CC(=O)NCc2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576778 IBZGMUVRHFRYCJ-KNQAVFIVSA-N 393.395 3.412 0 1 GGAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](c2ncccc2F)N1 962924875 OUCPVKWLHDDFSQ-RBUKOAKNSA-N 380.375 3.407 0 1 GGAF COc1cc2oc(=O)cc(-c3ccccc3)c2cc1OCCN1CCN(C)CC1 1772570764 GTJYKWNVHZMGCL-UHFFFAOYSA-N 394.471 3.095 0 1 GGAF COc1cccc(-c2nc(C[S@@](=O)CC(=O)NCc3ccccc3)c(C)o2)c1 5058221 PRIJQIVBUAOKHJ-NDEPHWFRSA-N 398.484 3.224 0 3 GGAF aggregator COc1cccc(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)c1 11909555 AECUHGGFVKDBMH-UHFFFAOYSA-N 387.911 3.291 0 1 GGAF C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2CCN1CCOCC1 169315322 KDNIVJJYFCANNI-WVQWTBLQSA-N 392.543 3.277 0 1 GGAF Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)c(F)c2)CC1 207299153 AYWHPILLEOWBLQ-UHFFFAOYSA-N 399.919 3.473 0 1 GGAF CCNC(=O)c1cccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n12 1857765473 BDAPMDVLAVZJOC-UHFFFAOYSA-N 398.894 3.237 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccco3)c(C)c2c1 2459861 DJQZBEJSAFTPPF-UHFFFAOYSA-N 390.461 3.295 0 1 GGAF COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)[C@@H]1c1ccc(F)cc1 3650848 SBSPABATXJNVTE-SFTDATJTSA-N 396.462 3.375 0 1 GGAF Cc1sc(C(=O)Nc2nnn[nH]2)c(OCc2ccccc2)c1Br 3779325 PJJDYQPIHXQAHQ-UHFFFAOYSA-N 394.254 3.163 0 1 GGAF CCN1CC[C@]2(c3cccc(O)c3)Cc3[nH]c(C(=O)N(C)C)c(C)c3C[C@H]2C1 3810483 NUVXFIRXXODNLS-GAJHUEQPSA-N 381.520 3.109 0 1 GGAF CCc1nn(CCCC(=O)N[C@@H]2CCCC[C@H]2C)c(=O)c2cc3occc3n12 6807441 VHAUTMGKMHFRAW-HUUCEWRRSA-N 384.480 3.280 0 3 GGAF Cc1c(Br)c(=O)oc2c(I)c(O)ccc12 29132587 MCBAQIXQBQAGFI-UHFFFAOYSA-N 380.963 3.174 0 1 GGAF CCCC[C@@H]1[C@H]2C[C@@H]3[C@H]4C(=C[C@@H](CN31)O2)OC(=C1OC(=O)C(C)=C1OC)[C@H]4C 2356471321 OWMYSJJZAWEDSL-MARWXMRQSA-N 387.476 3.256 0 1 GGAF OC[C@H]1O[C@H](n2cnc3c(NC4CCCCCCC4)cc(Cl)nc32)C[C@@H]1O 27325846 FQYKSUYXQAKFFJ-UXLLHSPISA-N 394.903 3.250 0 1 GGAF CC[C@@]1(C)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 26493602 DZHKGYPDWJRPGC-FPOVZHCZSA-N 382.416 3.258 0 1 GGAF CC(=O)OCC(C)=CCCC1=CCC[C@@](C)([C@H](O)CCC(C)=CCO)OC1=O 2356630555 VJXZNMFEQJQUKW-IRLDBZIGSA-N 394.508 3.378 0 1 GGAF O=C(CN1Cc2ccccc2O[C@H](c2ccccc2F)C1)NC1CCOCC1 39355538 HPUDIOJTDXIXJO-NRFANRHFSA-N 384.451 3.057 0 1 GGAF COc1ccc2nc(C)cc(-n3cc(CNC(=O)c4ccc(F)cc4)nn3)c2c1 71295189 NUPDDDXYJPEXSP-UHFFFAOYSA-N 391.406 3.202 0 1 GGAF CCCS(=O)(=O)N(C)Cc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](N)CC2 199678670 GGRCQDDVIQCLOA-FGZHOGPDSA-N 386.561 3.458 0 1 GGAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1 82214911 OVGKPKKNDKYSPZ-HNAYVOBHSA-N 398.482 3.428 0 1 GGAF CN1CCN(C(=O)Nc2ccc3c(c2)[C@@H](NC(=O)c2ccccc2)CCC3)CC1 299837420 QTWWLOSRVGQGNN-NRFANRHFSA-N 392.503 3.273 0 1 GGAF O=S(=O)(Nc1nccnc1Nc1cc(O)ccc1Cl)c1ccccc1 299825130 WSPCOBGPMKQBAU-UHFFFAOYSA-N 376.825 3.380 0 1 GGAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1C(=O)COCC1=O 587627984 NPPYWGNPCMBQAE-UHFFFAOYSA-N 380.244 3.404 0 1 GGAF CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=CN1C 587759477 LFZKYHLMOXZSEU-VVVCHXIZSA-N 381.245 3.135 0 1 GGAF O=S(=O)(O)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587127171 MXYWVNZTRYSKGO-UHFFFAOYSA-N 398.322 3.252 0 1 GGAF Brc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2n1 586967396 VOYWVIQUFXIYHJ-UHFFFAOYSA-N 389.238 3.458 0 1 GGAF CCCc1nc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)nn1-c1ccccc1F 587154327 CDXOQUWMIQWSKY-UHFFFAOYSA-N 377.383 3.484 0 1 GGAF CC(C)COc1cccc(OCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 587565549 DGAMBWWNRJFKAZ-UHFFFAOYSA-N 376.434 3.423 0 1 GGAF COc1ccc(-n2cc([C@@H]3c4c(ccc(OC)c4OC)C[C@@H](C)N3C)nn2)cc1 962637447 WWORFWIFQHTGAG-SPLOXXLWSA-N 394.475 3.259 0 1 GGAF COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N(C(=O)OC)[C@]15CC2)[C@H]43 1772570573 SQVLFJQJOPEBAA-XCDHXMKASA-N 396.487 3.091 0 1 GGAF N#Cc1cc(F)cc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)c1 168068940 DRTKCRBMELMEQA-UHFFFAOYSA-N 394.381 3.268 0 1 GGAF COCCN(C)C(=O)C[C@@]1(C)N=C(c2cccc(-c3ccccc3)c2)N(C)O1 205207389 GXHWKENJCAFOPI-QFIPXVFZSA-N 381.476 3.188 0 3 GGAF CN1O[C@@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N=C1c1cccc(Cl)c1 205206656 GMMGHMKJIJAGFJ-IBGZPJMESA-N 387.823 3.437 0 3 GGAF Cc1c(C)c2ccc(OCC3CCN(CCCO[N+](=O)[O-])CC3)cc2oc1=O 1857586366 OYUDOWGNEYPOED-UHFFFAOYSA-N 390.436 3.099 0 1 GGAF Cc1ccc(COC(=O)Nc2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1 1857534169 WKHMETWKHWYTEE-UHFFFAOYSA-N 376.416 3.420 0 1 GGAF Cc1ccccc1NC(=O)c1c(C)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 1663188 KCIZSJPSZAJMCW-UHFFFAOYSA-N 378.215 3.283 0 1 GGAF COC(=O)[C@@H]1[C@@H](c2cccc(I)c2)C[C@H]2CC[C@H]1N2C 100739570 XUBVUMLIQBPHGD-KBUPBQIOSA-N 385.245 3.031 0 1 GGAF O=C(c1ccc2c(c1)nnn2-c1cnc2ccc(F)cn12)N1CCCCCC1 115943860 URNCSWGGFSAWPD-UHFFFAOYSA-N 378.411 3.224 0 1 GGAF O=C(C=Cc1ccccc1)O[C@@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1 2356460304 PUFYZCKVLOYPHL-YHINDDMVSA-N 394.515 3.107 0 1 GGAF COc1cc2oc(=O)c3c(c2cc1OC)CCN(CCN1CCCCCC1)C3 27738169 NPUHYNMLNXZGPK-UHFFFAOYSA-N 386.492 3.044 0 1 GGAF Nc1nc(N)c2c(OCC3CCN(Cc4ccc(F)c(F)c4)CC3)cccc2n1 28971719 WDEBLYJCRJWXNX-UHFFFAOYSA-N 399.445 3.363 0 1 GGAF O=C(C[C@@H]1CC(=O)N2CCCCC[C@H]2[C@]1(O)c1ccccc1)N1CCCCCC1 2356768388 NQXMOUJMVXDKFM-DPLHUUCSSA-N 398.547 3.458 0 1 GGAF CC(C)(Cc1ccc(Cl)cc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 38279560 JLPFCLPUWJYNLF-KRWDZBQOSA-N 390.867 3.021 0 1 GGAF COc1cccc2c1C(=O)CC1(CCN(C(=O)c3cccc4cn[nH]c34)CC1)O2 49068188 CISXUVKUAIERRI-UHFFFAOYSA-N 391.427 3.212 0 1 GGAF CNc1nc(N2CCN(c3ccc(F)cc3)CC2)nc2cc(OC)c(OC)cc12 82131229 RVJNZXONHNGBSA-UHFFFAOYSA-N 397.454 3.154 0 1 GGAF O=S(=O)(NCC1CC1)c1ccc(NCc2ccncc2)cc1C(F)(F)F 145950698 YSJPDKNWAXNLER-UHFFFAOYSA-N 385.411 3.401 0 1 GGAF Cc1cnc(-c2cc(N3CCn4cc(C(=O)O)nc4C3)ncc2Cl)c(C)c1 146388250 UBAMJGOJLMKNRJ-UHFFFAOYSA-N 383.839 3.329 0 1 GGAF COc1cc(NC(=O)C(C)(C)n2cc(-c3cccc(OC)n3)cn2)cc(OC)c1 618008097 YPYRAMCPVYIJKM-UHFFFAOYSA-N 396.447 3.345 0 1 GGAF COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc3ccccc3[nH]1)C2 473171422 WDWJBCVEGBXLTA-AGRHKRQWSA-N 392.434 3.057 0 1 GGAF Cc1ccc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)nc1 299852810 XVUMOUNNIKYABN-IAGOWNOFSA-N 377.448 3.043 0 1 GGAF O=C(O)C[C@@H]1OC[C@@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 653741154 GWEOOHCWMXDNLK-GJYPPUQNSA-N 398.411 3.035 0 1 GGAF NS(=O)(=O)c1cc(-c2cc3c4c(cccc4n2)CC3)ccc1Br 587217136 UBFMGBAYWJULFH-UHFFFAOYSA-N 389.274 3.410 0 1 GGAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C(=O)O)[C@@H](C(=O)O)C4)-c1ccccc1C2=O 587100925 IXOYAZXMPJKCKS-LSDHHAIUSA-N 387.391 3.255 0 1 GGAF CCOC(=O)C(=O)C[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587792717 CGRCAFVMFSUSOG-QGHHPUGFSA-N 386.261 3.250 0 1 GGAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)cc2N1 587124455 ABOYOVDVHRDBKF-YLWLKBPMSA-N 391.279 3.494 0 1 GGAF CCOC(=O)[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587767259 AGSBUPXSBOMJMT-BBATYDOGSA-N 393.256 3.324 0 1 GGAF COc1cc(Br)c([C@@H](N)c2nc3ccnc(Cl)c3[nH]2)cc1OC 586976067 SPFSWQKHUYIGTO-GFCCVEGCSA-N 397.660 3.439 0 1 GGAF CN=c1nc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]s1 587371442 DSJMQTPIHCFTKY-XLIONFOSSA-N 399.447 3.207 0 1 GGAF CCn1cccc1[C@@]1(C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963148859 PAQFVFMURMNQJS-DJJJIMSYSA-N 391.493 3.474 0 1 GGAF CCOC(=O)c1ccc2c(c1)[C@]1(N[C@H](CC)Cc3c1[nH]c1ccccc31)C(=O)N2 962943837 CVPOWYFFBODBBQ-QKFKETGDSA-N 389.455 3.465 0 1 GGAF CC(=O)OC(C)(C)CC[C@@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962989646 GQUFERNXSOVWKQ-STQMWFEESA-N 375.799 3.380 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(CC(C)C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963639565 VPNHJZJJNFBWHM-SPLOXXLWSA-N 377.481 3.002 0 1 GGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](C(F)F)([C@@H]2CCCC2=O)N1 962974707 LDLCASOJYRICGE-GHTXELIDSA-N 379.737 3.047 0 1 GGAF CC(C)c1ccc(C(=O)C[C@@H](C(=O)NC2CCCCC2)N2CCN(C)CC2)cc1 169333789 HEAXQNMGHWXBQQ-QFIPXVFZSA-N 399.579 3.448 0 1 GGAF COc1cccc(Nc2nccc(-c3c(C(C)(C)O)nn4ncccc34)n2)c1 1857577994 QEHOFKQIGPKFAB-UHFFFAOYSA-N 376.420 3.166 0 1 GGAF COc1ccc2c(OCc3nnc4sc(-c5cc[nH]c5)nn34)ccnc2c1 1857766974 KCOKWTRSLKENOC-UHFFFAOYSA-N 378.417 3.317 0 1 GGAF CCc1cccc(-c2ccc(C[C@H](CC(=O)O)NC(=O)CCC(=O)O)cc2)c1 143917112 MLTHNHCKMIDZEQ-LJQANCHMSA-N 383.444 3.283 0 1 GGAF CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](O)CC 3939651 VFEDEOUBYBLDKN-JKSUJKDBSA-N 383.500 3.376 0 1 GGAF CC(C)N1CC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)C[C@H]3CCC[C@H]3N2C1 103204539 VRDIDMAVWCDZBG-HZPDHXFCSA-N 391.903 3.149 0 1 GGAF COc1ccccc1-c1ccc(C[C@@H](NC(=O)[C@@]2(C)CCCO2)C(=O)O)cc1 29216119 BYRKTALPFLWGRH-XMSQKQJNSA-N 383.444 3.043 0 1 GGAF COc1nnnc2c1sc1nc(N3[C@@H](C)COC[C@@H]3C)c3c(c12)CCCC3 28949405 YTZCADWXNRDHAC-QWRGUYRKSA-N 385.493 3.136 0 1 GGAF O=C(O)[C@H]1Cc2ccccc2C[C@H]1S(=O)(=O)c1ccc(Br)cc1 28330645 HALKBQWLGHJJBL-JKSUJKDBSA-N 395.274 3.091 0 1 GGAF CCNC(=O)OCc1c(COC(=O)NCC)c2n(c1C)Cc1ccccc1C2 66258723 RTMHDNWDEYRLSD-UHFFFAOYSA-N 385.464 3.241 0 1 GGAF NC(=O)C1(NC2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 27556965 NJIUVZMPUMVXGO-UHFFFAOYSA-N 389.515 3.031 0 1 GGAF O=C(Nc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c(Cl)c1)c1ccccn1 66165985 LJUABYFUJVRUSJ-FRVJLOGJSA-N 393.830 3.299 0 3 GGAF in-vitro COC(=O)[C@@H]1CC2=C(CN1CC1CCCCC1)N(Cc1ccc(OC)cc1)[CH]N2 2356815296 BXTZHNXLKCAIAH-NRFANRHFSA-N 398.527 3.259 0 1 GGAF COc1cccc(-c2cnc(N)c(N3CCC[C@H](Cn4ccnc4C)C3)n2)c1 32537439 XHWVTVNDBPAPSO-MRXNPFEDSA-N 378.480 3.156 0 1 GGAF CCCCc1c(-c2ccc(OCCOCCOCCN)cc2)[nH]c2nccnc12 43074269 SLOHIGYPBAVNRD-UHFFFAOYSA-N 398.507 3.338 0 1 GGAF CCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82224391 PBHNKEQOOGTTLC-MRXNPFEDSA-N 382.489 3.109 0 1 GGAF COc1cc2c(cc1OC)CN(c1ccc(C(=O)Nc3ccccn3)cn1)CC2 95591388 PDPVKIGVKVZKLR-UHFFFAOYSA-N 390.443 3.309 0 1 GGAF CCCCn1nnnc1[C@H](CC)N1CCC(n2c(O)nc3ccccc32)CC1 95569296 SVYWPHCHZXOQDY-KRWDZBQOSA-N 383.500 3.317 0 3 GGAF CC(=O)OC/C(=C\CC/C(C)=C/CO)CC[C@H](O)[C@@]1(C)CC[C@@H](C(C)(C)O)O1 238733591 HQNQQDPJKGHMFM-CPSXKLLGSA-N 398.540 3.044 0 1 GGAF COc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)co2)cc1OC 621431082 MAEPVIGVSVFOSS-QGZVFWFLSA-N 395.411 3.390 0 1 GGAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(C(N)=O)cc2[nH]1 587197989 CUHKIIADTOVMJI-UHFFFAOYSA-N 385.427 3.188 0 1 GGAF COC(=O)[C@@H]1C(=O)C[C@]2(C[C@@H]1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587811969 YERYLFOQGBVSMW-ODZRTUCBSA-N 398.272 3.106 0 1 GGAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C)cnc2[nH]1 586936357 LTCKTDAJRMVXSL-CQSZACIVSA-N 376.507 3.039 0 1 GGAF O=S(=O)(/C=C\c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccccc1 586924004 DKICSQCUWJYTSM-SREVYHEPSA-N 388.758 3.421 0 1 GGAF N[C@H](Cc1cccc(Br)c1)c1nc2nc(Br)c[nH]c-2n1 586983772 IWCNZZFNMXEGFC-SECBINFHSA-N 397.074 3.072 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3nc(Cl)c[nH]c-3n2)cc1 587042570 MMJNDFGUZLNWDL-GFCCVEGCSA-N 389.868 3.244 0 1 GGAF COC(=O)[C@@H]1C(=O)C[C@]2(C[C@@H]1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587805583 HTNRYZCRPNZILV-IMYRLMCESA-N 398.272 3.106 0 1 GGAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@]2(CSCc3c(F)cccc32)N1 963230035 LDOIVKRBUBYHCJ-CTNGQTDRSA-N 380.444 3.463 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(c1ncc(F)cc1Br)NCC2 962922694 GMTBWAKPYREIIT-SFHVURJKSA-N 392.272 3.094 0 1 GGAF COc1cccc2c1CCC[C@H]2C(=O)NCCN1CCN(c2ccccc2)CC1 12356288 ZNLVNNSCBPOHJX-JOCHJYFZSA-N 393.531 3.054 0 1 GGAF CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cn3cc(C)ccc3n2)C1 12445210 PNXKCKQVWQYZLE-LJQANCHMSA-N 377.492 3.164 0 1 GGAF O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1 13806267 HTBRQSCIUVUCRL-UHFFFAOYSA-N 381.395 3.286 0 1 GGAF O=C(Nc1ccc(C(=O)N2CCC[C@]23CCNC3)cc1)N1Cc2ccccc2C1 167171152 NADPGDAGPYRGIA-HSZRJFAPSA-N 390.487 3.202 0 1 GGAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(-n2cccn2)n1 167857221 CMOIZFQRFFEJJY-RDJZCZTQSA-N 392.459 3.394 0 1 GGAF OCCN=c1nc(O)c(Cc2c(O)ccc3ccccc23)c(-c2ccccc2)[nH]1 1857606963 JUFHFQRRMIBYLT-UHFFFAOYSA-N 387.439 3.125 0 1 GGAF COc1cc(OC)c2c(c1Cl)C[C@@H](O)C=CCC[C@H]1O[C@@H]1C[C@@H](C)OC2=O 253651222 NFTHHRKFJPFBSB-AYRXBEOTSA-N 396.867 3.313 0 1 GGAF CCN(CC)CCCn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21 26724705 UVHZRJHHSGWVQP-UHFFFAOYSA-N 375.476 3.467 0 1 GGAF COCCn1ccc2nc(C)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2c1=O 21538703 DAHJUKJNMZVGIL-UHFFFAOYSA-N 389.814 3.396 0 1 GGAF Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1 63539886 MGNQNQOSSLCUFP-UHFFFAOYSA-N 378.411 3.354 0 1 GGAF COc1c(O)c(Cc2cc[nH]c2)c2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 2356812849 OGWPIGBRDKPBDL-MRXNPFEDSA-N 381.384 3.437 0 1 GGAF CC1(C)CN=C2C(=O)c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3N2C1 38238842 ZTRWPSRAWREGQY-UHFFFAOYSA-N 387.436 3.068 0 1 GGAF COc1cccc(NC(=O)c2ncc(C(=O)O)c3cc(OC)c(OC)cc23)c1 73169364 IOHDJKVEEXVKED-UHFFFAOYSA-N 382.372 3.211 0 1 GGAF CS(=O)(=O)c1ccc(/C=C(/C(=O)O)c2cccc(Br)c2)cc1 35000809 DXMRCGHTBYSIBM-OQLLNIDSSA-N 381.247 3.478 0 1 GGAF CC(C)c1c(Cc2ccccc2)n(CCc2ccc(F)cc2)c(=O)n(O)c1=O 71296708 SABKQJJDOIEPBQ-UHFFFAOYSA-N 382.435 3.343 0 1 GGAF Cc1ccc(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)cc1CC(=O)N1CCOCC1 45300037 YXKKKXDMHWGXKH-NGYIFUPDSA-N 398.547 3.341 0 1 GGAF CCCCc1nc2ccc(C(=O)NCc3ccc(F)cc3)c(O)c2c(=O)n1C 84655344 AALWQMKSEZSHOZ-UHFFFAOYSA-N 383.423 3.051 0 1 GGAF COc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)cnc1N 146475708 PSQQHUAWOFHNTA-UHFFFAOYSA-N 397.523 3.229 0 1 GGAF CCC(=O)NC[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1C(=O)CC 95895362 YMMVOAVOSHGORU-ZRCGQRJVSA-N 398.478 3.084 0 1 GGAF CC(=O)O[C@@H]1C[C@@]23C(=C1C)[C@H](OC(C)=O)[C@@H](C[C@@H](OC(C)=O)[C@@H]2C)C3(C)C 257470992 LCYMMMXHRHJXJB-MOUKCHMMSA-N 378.465 3.184 0 1 GGAF endogenous,in-man O=C(NCCc1c[nH]c2ccccc12)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2=O 263590920 FYWFPWZAUIPSNV-MCYKXBRJSA-N 381.476 3.226 0 3 GGAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NC[C@H](O)CC 299884918 URGRKJHTNNHKQB-DKSSEZFCSA-N 388.489 3.126 0 1 GGAF CCOC(=O)C[C@]1(C(F)(F)C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423761 ZDMQEYSABMCJLH-BMIGLBTASA-N 394.292 3.332 0 1 GGAF CC(=O)C[C@@]1(c2cnn(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587763633 KRIXBCCFHCEPJC-BTDLBPIBSA-N 380.261 3.079 0 1 GGAF CCOC(=O)Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587779201 YPQRSMMRWXXVMH-UHFFFAOYSA-N 393.852 3.123 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c2c1 587081777 FUMPTSNHJQLXAO-LLVKDONJSA-N 381.889 3.053 0 1 GGAF N=c1[nH]c2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc(O)c2o1 587575019 HUDHFVWNUPPVLO-APWZRJJASA-N 390.351 3.354 0 1 GGAF COc1ccc2nc(SCC(=O)Nc3ccccc3C(=O)N(C)C)[nH]c2c1 1772646125 NBDFRUKPNZQQPV-UHFFFAOYSA-N 384.461 3.004 0 1 GGAF CC(C)N(Cc1nccn1C)C(=O)CCc1nnc(CCCc2ccccc2)o1 11663409 QADANRQWGFFNHQ-UHFFFAOYSA-N 395.507 3.348 0 3 GGAF NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(F)cc2)cc1 13762098 HPEAMDIOUYALCD-UHFFFAOYSA-N 385.342 3.345 0 1 GGAF CCN(CC)CCNC(=O)c1cc(-c2ccc(Cl)cc2)cc(-n2cnnn2)c1 14990910 DZNCSVFAMFGOLI-UHFFFAOYSA-N 398.898 3.054 0 1 GGAF Cc1nc([C@H](CC2CC2)NC(=O)c2cnc(C3CC3)c(OCC3CC3)n2)no1 207393221 ZXBXPOZKBYSIJK-HNNXBMFYSA-N 383.452 3.105 0 1 GGAF COc1cc(/C=C2\SC(=O)N(CC(=O)O)C2=O)ccc1OCc1ccccc1 1857556848 JWKUAZOIQZNCES-YVLHZVERSA-N 399.424 3.395 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)N1CCOCC1 770764 HVBLLACKLHHCNV-PZJWPPBQSA-N 380.444 3.036 0 1 GGAF CC=C[C@@H]1O[C@@H]2Cc3c(ccc4c3C[C@H](O)C[C@H](O)C4)[C@@H]3CC[C@@H]([C@]32C)[C@@]1(C)O 2356396350 IVFLABXZDZRHJH-CZGFXGGBSA-N 398.543 3.048 0 1 GGAF O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl 4055216 RCDATHGWQHAJLH-DOTOQJQBSA-N 397.233 3.333 0 1 GGAF CCCCN1C[C@@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@@H](C1)N2C 100831170 CGDPWMYKOHALQW-OALUTQOASA-N 384.568 3.441 0 1 GGAF C(=C/c1ccccc1)\CN1CCN(C[C@H]2ON=C3c4ccccc4OC[C@@H]32)CC1 26648690 MUUSOYWTPTTZII-SUGJADORSA-N 389.499 3.129 0 1 GGAF COc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C[C@@H](N(C)C)CC3)cc1 60325609 UZKROYHPNXXRML-HNNXBMFYSA-N 384.501 3.306 0 1 GGAF CC(C)(C)Cc1nc2c(n1CC1CC1)CCN(S(=O)(=O)c1cccnc1)C2 43073905 UJBWJNIDWMLPBD-UHFFFAOYSA-N 388.537 3.024 0 1 GGAF O=CN(O)C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 40873555 QTRSCHRIEVLLAQ-MJGOQNOKSA-N 393.443 3.198 0 1 GGAF O=C(O)c1ccc(/C=C/c2cc(Br)c(O)c(C(=O)O)c2)cc1O 40380161 HBBUDOGGTKQWCW-OWOJBTEDSA-N 379.162 3.427 0 1 GGAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H]3[C@@H]1[C@@H]1/C=C(/C)[C@H](O)CC[C@](C)(OC[C@@H]2C)[C@@H]3O1 299818152 QQUBMUOPSYDXCO-MMCQCRLDSA-N 378.509 3.100 0 1 GGAF CC(C)NCC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1 653724634 UBROJUQBKFFRKJ-HXUWFJFHSA-N 389.455 3.469 0 1 GGAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cnnc(O)c3[nH]2)c1 587147711 YIBBHSGSIBIGNL-UHFFFAOYSA-N 380.335 3.238 0 1 GGAF CNC[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587739361 ATMYCXBBMWFRQV-VOJFVSQTSA-N 379.273 3.291 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3nn[nH]n3)cc2)N1 587799855 ZJKKLNUKXFGVPL-JDNHERCYSA-N 388.244 3.392 0 1 GGAF COc1cnc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1Cl 587064164 CESVFPIEEQXXLE-UHFFFAOYSA-N 382.811 3.346 0 1 GGAF CCOC(=O)Cn1c(C)cc2c1CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587392215 XKFCVMPODKSUJJ-QFIPXVFZSA-N 382.460 3.447 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccnn2C)N1 587760082 NYWWZHVKJDCYGW-UULLWKHXSA-N 393.304 3.175 0 1 GGAF CN(C)/C=C/[C@]1(c2ccnn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581446 LGBOVNVOJHIULH-SQGWTHQZSA-N 391.427 3.058 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2C(CCC(=O)O)(CCC(=O)O)N1 587831196 WMAUEVNDHMKSST-VIFPVBQESA-N 388.233 3.047 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C[C@H](C(=O)O)Oc4ccc(Cl)cc41)[C@@H](C2)C3=O 587423032 SPSGCRUQGHUNSW-GQWAEJPESA-N 386.787 3.227 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CS(=O)(=O)C2)N1 587847423 XQEOCGQHGVPASI-HWPZZCPQSA-N 390.318 3.162 0 1 GGAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(CO)ccc41)[C@@H](C2)C3=O 587450570 MSLAYFPLCRGLLS-CPJSRVTESA-N 398.414 3.423 0 1 GGAF COC(=O)CC[C@]1(C(C)C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962721734 WHXMEVWBXVQLSX-WMLDXEAASA-N 391.361 3.248 0 1 GGAF NC(=O)COc1ccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962693804 DKSQOOZWJWCFLW-BTYIYWSLSA-N 386.492 3.143 0 1 GGAF NC1CCN(c2nc(Nc3cn(C4CC4)cn3)c3cc(Cl)ccc3n2)CC1 1772644784 SUEXJUBVWNYSPV-UHFFFAOYSA-N 383.887 3.486 0 1 GGAF CC(CN)=C1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 166563309 FLCYZBVOWWKYRN-UHFFFAOYSA-N 385.439 3.049 0 1 GGAF COC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 595500 HEZGTATZCDHJOU-UHFFFAOYSA-N 377.400 3.016 0 1 GGAF COc1cccc(Nc2ncc3nc(C)c(=O)n(Cc4cccs4)c3n2)c1 4238671 FPFFTEAVCWFSKS-UHFFFAOYSA-N 379.445 3.357 0 1 GGAF C[C@H]1CCC[C@H](NC(=O)COC(=O)COc2ccc(Br)cc2)[C@@H]1C 4979887 GNGFYASQEJVXRX-ZENOOKHLSA-N 398.297 3.312 0 1 GGAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(I)cc1)N2C 26501313 SIIICDNNMDMWCI-QPSCCSFWSA-N 385.245 3.031 0 1 GGAF Cc1cc(CO)n(C[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC2)n1 118636024 ACRFXQOGJGDSAR-FZNQNYSPSA-N 376.888 3.029 0 1 GGAF COCCOc1ccccc1C(=O)NCCCCCC(=O)Nc1ccccc1N 117587639 JAQAZWCBGFQIFX-UHFFFAOYSA-N 399.491 3.223 0 1 GGAF COc1ccc2cc(-c3nc4ccccn4c3NC[C@@H]3CCCO3)c(=O)[nH]c2c1 35310849 HCXPEUCHELEHCT-INIZCTEOSA-N 390.443 3.442 0 1 GGAF NC(=O)c1cc(I)ccc1NC(=O)/C=C/c1ccccc1 72171772 XTLFIHQBWVSBQT-RMKNXTFCSA-N 392.196 3.042 0 1 GGAF Cc1ccc(Cl)cc1NC(=S)OCCNC(=O)c1ccccc1C(=O)O 40939066 BQDQNUMAMWQGMO-UHFFFAOYSA-N 392.864 3.490 0 1 GGAF COc1ccc2c(c1)-c1cc(OC)c(OC)cc1[C@H]1CN3CCC[C@H]3[C@@H](O)[C@H]21 1911584532 BJNCGSCVPRHTNV-IYRWYFENSA-N 381.472 3.399 0 1 GGAF Nc1cnc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1 45301058 LWASRJZJGFUUCR-UHFFFAOYSA-N 395.536 3.185 0 1 GGAF COC1CCC2(CC1)Cc1ccc(CCC3CC3)cc1[C@@]21N=C(N)N(C)C1=O 140592834 BQUBZDBGLJUIQX-CKRJSAQMSA-N 381.520 3.143 0 1 GGAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(Cc4ccc(C)cc4)C[C@@H]23)cc1 95795673 BTBGJPBJMAHVIJ-QTHLIXRTSA-N 376.500 3.199 0 1 GGAF O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)N1Cc2ccncc2C1 96283099 BGECQVFGWHCTBJ-UHFFFAOYSA-N 393.468 3.140 0 1 GGAF CNc1nc(Nc2cnn([C@@H](CC(N)=O)C3CCCCC3)c2)ncc1Cl 653849099 TWJGGZORIBKPTC-AWEZNQCLSA-N 377.880 3.109 0 1 GGAF O=C1COc2cc3[nH]c(-c4c(C(F)(F)F)n[nH]c4C(F)(F)F)nc3cc2N1 587120976 LQTMGCSIAGEOAM-UHFFFAOYSA-N 391.231 3.322 0 1 GGAF COc1cc2nc(-c3ccc(NS(=O)(=O)C(C)C)cc3)[nH]c2cc1OC 586951389 ZQYBKHAOXAPUDY-UHFFFAOYSA-N 375.450 3.397 0 1 GGAF Cn1nc([C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1C(F)(F)F 962763268 JYDHZLSGXBZPMO-XHDPSFHLSA-N 391.315 3.348 0 1 GGAF CCN1CN([C@H]2CC[C@H](CNCC(F)F)CC2)c2c(c[nH]c3nccc2-3)C1=O 1772589944 AMWBCUBEPFWLOD-HDJSIYSDSA-N 391.466 3.168 0 1 GGAF Cc1cc(-c2cnn(C)c2)cc([C@H]2CCN(C(=O)c3cc(C4CC4)[nH]n3)C2)n1 1772586507 WCOMCPYVSHGEPF-HNNXBMFYSA-N 376.464 3.021 0 1 GGAF COc1ncc(-c2ccccc2[C@H]2CCCN(C(=O)c3cccnc3N)C2)cn1 1772615890 BQSDOBSCSFGUIP-HNNXBMFYSA-N 389.459 3.149 0 1 GGAF COC(=O)C1([C@@H]2C[C@@H](O)[C@]3(C)CC/C=C(\C)CCC[C@H](C)[C@H](O)[C@@H]2O3)CC1 5845233 KHHOOLUXFFPRTF-AHBGHTJRSA-N 380.525 3.372 0 1 GGAF O=c1c(-c2ccc(F)cc2)cccn1[C@@H](CN1CC[C@@H](O)C1)c1ccccc1 13488477 VUMJGYVMLYLAEA-IRLDBZIGSA-N 378.447 3.310 0 1 GGAF O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1cc(Cl)cc(Cl)c1 13612305 ZJXSMYCRPDPOKA-UHFFFAOYSA-N 390.182 3.144 0 1 GGAF CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC[C@H](O)CO)cc1 775409 UOIBFXWCYKLYTE-INIZCTEOSA-N 398.434 3.354 0 1 GGAF CCCC(=O)O[P@](=O)(O)C(Cl)(Cl)[P@@](=O)(O)OC(=O)CCC 3941178 WASFPDADYVSTSN-UHFFFAOYSA-N 385.073 3.133 0 1 GGAF COc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)CC2)cc1 4472832 APDUSXPRYNKWRC-GUMKIRRESA-N 396.487 3.224 0 1 GGAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(-c2nc3ccccc3c(=O)o2)cc1 101150965 CBBBWKJDXWKPLT-OHHBCXFOSA-N 384.391 3.167 0 1 GGAF O=c1c2ccccc2c(Cc2nnc(C3CC3)o2)nn1Cc1cnc(Cl)s1 64447381 YJLHJKUUOUYWJY-UHFFFAOYSA-N 399.863 3.406 0 1 GGAF Cc1ccc(NC(=O)NCCCO)cc1Nc1nccc(-c2cccnc2)n1 28377277 MZRCRDHXYKYBSB-UHFFFAOYSA-N 378.436 3.095 0 1 GGAF Cc1c2c(=O)n(Cc3ccc(F)cc3Cl)[nH]c2cc(=O)n1Cc1ccccn1 64448804 OIVBQOLEYJUBFJ-UHFFFAOYSA-N 398.825 3.084 0 1 GGAF CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](NCc4ccccn4)CO[C@@H]23)cc1 2356844547 NWKCHIFESNJOHM-NCYKPQTJSA-N 397.475 3.078 0 1 GGAF C[C@]12CC[C@H]3[C@H](CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@@]43C)[C@@H]1CCC2=O 40440238 HMABERXDSMXWFO-FMZZOXHWSA-N 390.549 3.217 0 1 GGAF C[C@H]1CNc2c(NCC3CCCCC3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82212258 LAAPIBLZHQEOMK-AWEZNQCLSA-N 386.471 3.176 0 1 GGAF CC(=O)NCCn1c(C2CC2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181393 SYRJGGIQHGVTMY-UHFFFAOYSA-N 384.871 3.105 0 1 GGAF Cc1csc(N2NC(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)n1 49112139 KYESWVXTUKXOKB-GMNCBBECSA-N 387.464 3.353 0 1 GGAF CCOC(=O)N1[C@H]2CC[C@@H]1CC(N1CCC[C@@H](NC(=O)c3ccccc3)C1)C2 84615473 OHFJWWZZUQRDMV-WRURNZQNSA-N 385.508 3.033 0 1 GGAF COCC(C)(C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1C 222370905 MDZQPPYWTULKAT-UHFFFAOYSA-N 379.464 3.056 0 1 GGAF CSc1nn(-c2ccccc2)c2cc(N3CCN([C@@H]4CCNC4)CC3)ccc12 147344555 RBSQJFZOPOFUJL-LJQANCHMSA-N 393.560 3.231 0 1 GGAF C[C@H](CC(=O)N(C)C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1 96173021 HFBPZSQYXYEUPH-OAHLLOKOSA-N 380.492 3.203 0 1 GGAF O[C@@H](CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)C1CCOCC1 261106358 HNHKGQUPTFIUQU-KRWDZBQOSA-N 381.398 3.040 0 1 GGAF CC/N=c1\c(NS(=O)(=O)c2ccc(F)c(C)c2)c(O)oc2ccccc12 617997472 KCGAPUDDMSFBHP-SILNSSARSA-N 376.409 3.307 0 1 GGAF O=C(Nc1ncnc2[nH]cnc12)c1ccccc1-c1cccc(-n2ccnc2)c1 653795736 CGSPCJYIHDVCNC-UHFFFAOYSA-N 381.399 3.458 0 1 GGAF CCOC(=O)c1cnn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12 587522197 DGZIMCKMMBFEDX-IBGZPJMESA-N 391.427 3.491 0 1 GGAF 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375.944 3.106 0 1 GGAF CC(=O)N[C@@H](CC(C)C)C(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 14978473 IVJCOYJTRQBIRX-KRWDZBQOSA-N 389.883 3.431 0 1 GGAF COc1ccc2nc([C@@H]3C[C@@H]3c3cc(-n4nc(C)nc4C)nc(C)n3)[nH]c2c1 205282986 XOBZSGZRUIINSE-LSDHHAIUSA-N 375.436 3.139 0 1 GGAF NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1cccc(C(F)(F)F)n1 205283825 WEMLZLDOVOESKB-NWDGAFQWSA-N 394.401 3.020 0 1 GGAF C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2cccc(O)c2)C1=O 1857570326 SVTYKQJVCXBJNT-GOSISDBHSA-N 380.488 3.221 0 1 GGAF CCc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)CC(=O)N32)s1 1857772631 WNVDDMMDUVNDAO-JXFKEZNVSA-N 379.485 3.107 0 1 GGAF COc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)NC3=O)cc1OC 28114606 PYUGWYMMPXGDSQ-UHFFFAOYSA-N 377.352 3.136 0 1 GGAF CCOC(=O)N1[C@H]2CC[C@H]1CC(N1CCC[C@@H](NC(=O)c3ccccc3C)C1)C2 101505600 AJSHPFXXSLQSKN-QYZOEREBSA-N 399.535 3.341 0 1 GGAF CC(=O)OC[C@@]1(O)OC[C@]23CC[C@H]4[C@@H](CC[C@H]5CC(=O)CC[C@@]54C)[C@@H]2CC[C@H]13 118919805 KHPQUAVODVOVLY-KGQMTQBUSA-N 390.520 3.476 0 1 GGAF 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C[C@H](Nc1ccc2c(c1)NC(=O)CO2)C(=O)Nc1ccc(Br)cc1 32792421 FFDQOYGHFIJSOQ-JTQLQIEISA-N 390.237 3.219 0 1 GGAF COC1CCC2(CC1)Cc1ccc(CCC3CC3)cc1[C@]21N=C(N)N(C)C1=O 140592985 BQUBZDBGLJUIQX-UWFXLKAESA-N 381.520 3.143 0 1 GGAF Nc1nccn2c(C3CCC3)nc(C3=CCN(C(=O)Cc4ccccc4)CC3)c12 96168249 SHKZWXHKSOOSGG-UHFFFAOYSA-N 387.487 3.437 0 1 GGAF CC(=O)O[C@@H]1[C@H](C)C[C@H]2[C@H]3[C@@H]1[C@@H]1/C=C(/C)[C@H](O)CC[C@](C)(OC[C@@H]2C)[C@@H]3O1 299818155 QQUBMUOPSYDXCO-QIXIEKPPSA-N 378.509 3.100 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(Br)cccc41)[C@@H](C2)C3=O 587417548 NUYKSCATSGKUJV-BBATYDOGSA-N 386.201 3.053 0 1 GGAF N[C@H](Cc1cccc(Br)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 586984775 URCVZGDXBNHSEZ-SECBINFHSA-N 386.175 3.328 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn3cccnc3n2)N1 587774700 NZLLDZJOCJODQG-QGHHPUGFSA-N 375.245 3.429 0 1 GGAF O=S(=O)(O)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587007144 MTYIGZFAHGEACO-UHFFFAOYSA-N 393.222 3.115 0 1 GGAF C[C@H](CCc1nc2c(I)cnc(Cl)c2[nH]1)CC(=O)O 587962673 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COc1cc(C(=O)c2cnn(-c3ccc(Cl)cc3)c2N)cc(OC)c1OC 1857654105 IKYPYTWLIQMPQF-UHFFFAOYSA-N 387.823 3.365 0 1 GGAF COc1ccc(-c2cc(CNS(=O)(=O)c3ccc(C)cc3)on2)cc1OC 1857772462 XIAFQBJLFSGEAR-UHFFFAOYSA-N 388.445 3.146 0 1 GGAF O=C(O)C[C@H]1CCN(C2CCC(F)(F)CC2)C[C@@H]1Cc1nc2cnccc2[nH]1 2356305769 DXSPBHJLQIPOKG-KGLIPLIRSA-N 392.450 3.491 0 1 GGAF CC1CCC(C(=O)N[C@H](C(=O)N2CCC(N3CCCCC3)CC2)C(C)C)CC1 4101778 UZHXZIXQZACHRL-GRERDSQWSA-N 391.600 3.430 0 3 GGAF C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1 4669994 NUTRZZDKYNDEFH-POAQFYNOSA-N 380.492 3.099 0 1 GGAF CCOC(=O)N1CCC(N(CCOC)C(=O)Nc2ccc(C)c(C)c2)CC1 4687148 PGRRWEWSNCBKPD-UHFFFAOYSA-N 377.485 3.405 0 3 GGAF Cc1c(Sc2ccccc2)n(COCCOCc2ccccc2)c(=O)[nH]c1=O 6520202 BAJHHABXVVMDBU-UHFFFAOYSA-N 398.484 3.187 0 1 GGAF COc1ccc(Cl)cc1C(=O)NC1C[C@H]2CC[C@H](C1)N2C[C@H]1CCCO1 101444613 RIEMXJMKVGFKQM-BRWVUGGUSA-N 378.900 3.253 0 1 GGAF COc1cccc(OC)c1NC(=O)CSc1n[nH]c2c3ccccc3nc-2n1 104996334 CIVMJQGSIHXIRK-UHFFFAOYSA-N 395.444 3.206 0 1 GGAF 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OC[C@H]1[C@@H](c2ccccc2)C2(CN(Cc3nccs3)C2)N1CCC(F)(F)F 95794265 YPMHUUPJSIUGKO-DOTOQJQBSA-N 397.466 3.110 0 1 GGAF CC1(C)Oc2ncnc(N)c2N=C1c1ccc([C@H]2CC[C@H](CC(N)=O)CC2)cc1 261126896 KIYMDDKISSTSMZ-HDJSIYSDSA-N 393.491 3.500 0 1 GGAF Cc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)P(=O)(O)O)cc2)s1 653716027 VKONUXHCJZOMEM-OAHLLOKOSA-N 389.435 3.162 0 1 GGAF Nc1cnnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1Cl 587652995 ATBUCJSLLDVXKR-UHFFFAOYSA-N 385.761 3.357 0 1 GGAF CS(=O)(=O)[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587605819 FGPLPQUIWKHJFC-HLIPFELVSA-N 388.441 3.080 0 1 GGAF Nc1ccnc2[nH]c(-c3ccccc3OCC(=O)Nc3ccccc3F)nc12 587153746 BTZVLVNMOROXPH-UHFFFAOYSA-N 377.379 3.364 0 1 GGAF COc1cccc2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598591 YFZDZGYTIWLFPZ-HTAPYJJXSA-N 389.363 3.210 0 1 GGAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)cc2N1 587125214 RAPUBDKWSLEGJF-LKFCYVNXSA-N 392.385 3.436 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CC)(C(C(=O)OCC)C(=O)OCC)CC2=O 587481381 LTOWGKUVPDERHF-NRFANRHFSA-N 392.448 3.201 0 1 GGAF CCS(=O)(=O)c1cccc(Cc2nc3cc(Br)c(C)nc3[nH]2)c1 586921851 GWIGQFVWCHHCIF-UHFFFAOYSA-N 394.294 3.413 0 1 GGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586916621 MWKWZEGMRJJONC-ZHRRBRCNSA-N 377.444 3.481 0 1 GGAF COC(=O)c1cccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c12 587037961 OHLRUSLLSYGZMP-SNVBAGLBSA-N 397.460 3.097 0 1 GGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@]2(C=CN(C(=O)OCc3ccccc3)CC2)N1 962901858 LMHQGSBTBSUGOR-AVRDEDQJSA-N 396.418 3.176 0 1 GGAF C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2nc(NC(=O)C3(C)CCC3)cs2)CO1 1772628271 WJELMSNRYNVXCO-DINDLPBHSA-N 380.539 3.163 0 1 GGAF COC(=O)C1=C(C)N2CCS[C@]2(C)[C@H](C(=O)OC)[C@H]1c1cccc(Cl)c1 5757484 HTOPLRWJQODIPS-TXPKVOOTSA-N 395.908 3.438 0 1 GGAF CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)CF 13606559 QZIRYCUFVRNOJW-SJORKVTESA-N 394.487 3.192 0 1 GGAF Cc1cc(C)c2sc(Cn3nc(CC(=O)O)c4ccccc4c3=O)nc2c1 13860783 VIVAMPKHBWEYAK-UHFFFAOYSA-N 379.441 3.298 0 1 GGAF COc1cncc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)c1 169708459 UHEMQQDCLNXFOB-WILYLXEWSA-N 391.443 3.403 0 1 GGAF CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccnc2)[C@@H]1c1cccs1 6722135 SCWHCAYEFQZPMS-MOPGFXCFSA-N 377.469 3.370 0 1 GGAF Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCC(N(C)C(C)C)CC3)c2)on1 7005362 RJQSAPWRZMEPOF-UHFFFAOYSA-N 391.537 3.452 0 1 GGAF Cc1ccc(S(=O)(=O)N2C[C@H](F)[C@H](OCc3nc4ccccc4o3)C2)cc1 2356298779 ANHHVCGPMWERAQ-MAUKXSAKSA-N 390.436 3.064 0 1 GGAF O=C(Cc1ccccc1)NC[C@@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1 2356299083 VRMISRKNFMSILJ-GOSISDBHSA-N 381.863 3.461 0 1 GGAF COc1ccc(C)cc1NC(=O)C1CCN(c2ncnc3onc(C)c23)CC1 20944825 ZMSCIGOVXMTRHF-UHFFFAOYSA-N 381.436 3.098 0 1 GGAF CN1CC[C@@H](n2cc(S(=O)(=O)c3ccccc3Cl)c3cccnc32)C1 28862222 XUWDAWJSAQOYPV-CYBMUJFWSA-N 375.881 3.399 0 1 GGAF C[C@@](O)(C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl)C(F)(F)F 26383113 WNNHGPUJFGHEIJ-OAHLLOKOSA-N 378.778 3.218 0 1 GGAF CCCCN1C(=O)[C@H](CC(=O)NC2CCCC2)CC(C(=O)N(CC)CC)=C1C 61921482 NDKUZODLQAZPSE-KRWDZBQOSA-N 391.556 3.226 0 3 GGAF COc1ccccc1N1CCN(CCCOc2ccc3c(c2)NC(=O)CC3)CC1 39333960 XRXBZJLXUCSIKS-UHFFFAOYSA-N 395.503 3.171 0 1 GGAF CC(=O)OC(COC(=O)C(C)C)(COC(=O)C(C)C)c1ccc(C)cc1C 14592200 ILXHONJSQKQPJO-UHFFFAOYSA-N 378.465 3.460 0 1 GGAF biogenic COc1ccc(Br)c(CCN(C)C[C@H](C)O)c1Br 13407395 FRNQKTWFKZWERX-VIFPVBQESA-N 381.108 3.075 0 1 GGAF biogenic C[S@@](=O)C[C@@H]1[C@H]2CC[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]3C2)[C@H]1O 40575824 RSTMEZAVUUMLEO-BKNDNMFZSA-N 382.566 3.449 0 1 GGAF O=C(O)[C@@H]1CN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCO1 43202663 WGNYIJNJSDBPLE-SSPYTLHUSA-N 377.484 3.409 0 1 GGAF Cn1c(-c2ccc(F)cc2)c(CCN2CCN(c3ccccc3)CC2)oc1=O 84495527 GHABTHQYUUAJRB-UHFFFAOYSA-N 381.451 3.149 0 1 GGAF C[C@H]1CN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)C[C@@H](C)O1 225546682 WVDBDJPWRKKQOV-OKILXGFUSA-N 389.463 3.034 0 1 GGAF NCCC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12CCOc1ccccc12 141986900 JEEPQMREUASVEU-LJQANCHMSA-N 389.427 3.186 0 1 GGAF COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cnc1OC 147825112 PHWROIPNYRVHJB-UKRRQHHQSA-N 393.443 3.217 0 1 GGAF O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 95893440 GTTYHYNLUWOOHE-BHDDXSALSA-N 377.488 3.061 0 1 GGAF O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCC2C[C@H]3C[C@@H]3C2)cc1F 261181916 WGLCINFFVGFEJW-QWRGUYRKSA-N 387.860 3.126 0 1 GGAF CCNCC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1 653724580 CAVZUUOEKYFUDX-IBGZPJMESA-N 375.428 3.080 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccnn1C(F)F 587868651 QURRFQFHYDRMAA-UHFFFAOYSA-N 387.268 3.253 0 1 GGAF CCOC(=O)/C(=C\N(C)C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587756930 SJQADENORQRAHX-SNGOGSRNSA-N 385.277 3.172 0 1 GGAF Cc1c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165780 DRIQHQHUCVZAED-UHFFFAOYSA-N 384.436 3.330 0 1 GGAF CC(=O)c1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C 587763572 KFXIMCQTBQBSRD-HUTHGQBESA-N 380.261 3.322 0 1 GGAF COC(=O)c1scnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587855822 WEIOBUDWPLUBLD-JMCQJSRRSA-N 385.258 3.455 0 1 GGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(Br)nc2[nH]1 587194661 XKBIASGRKUVAOC-LLVKDONJSA-N 398.305 3.238 0 1 GGAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCOCC1 587397532 BYDCKHXNOSXRCK-NRFANRHFSA-N 382.460 3.125 0 1 GGAF Cc1ccn(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587662285 YGKHWILYNXZPGN-UHFFFAOYSA-N 376.391 3.438 0 1 GGAF Nc1ncnc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc12 587019967 VBHDUYJZZSJENZ-UHFFFAOYSA-N 393.295 3.473 0 1 GGAF CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4cccc5c4c3CC5)C[C@@H]2[C@H]1C(=O)O 587211688 HTNOMCFECVCQGK-NJSLBKSFSA-N 380.444 3.293 0 1 GGAF FC(F)(F)c1cc2nc(-c3nccnc3I)[nH]c2cn1 587186749 RRBFEEFXCOBNHC-UHFFFAOYSA-N 391.094 3.038 0 1 GGAF CCOC(=O)[C@@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340683 VMCDWOHBROKNIY-PIYNUTBUSA-N 399.418 3.267 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(C(N)=O)c2)N1 587749990 QYAQLJHUPHPTBG-LZVRBXCZSA-N 393.256 3.190 0 1 GGAF CN1C(=O)C[C@H]2CN[C@@H](c3ccncc3NC(=O)C(C)(C)C)c3cccc1c32 963035491 RWDROJPCGWDKOR-RBZFPXEDSA-N 378.476 3.209 0 1 GGAF Cc1cc2c(cc1C)C(Cl)=C(COC[C@H](O)CN1CCN(C)CC1)CCC2 1772645993 FOPWTYVRRQHKTK-HXUWFJFHSA-N 392.971 3.215 0 1 GGAF COc1cc([C@H]2OC[C@@H]3[C@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)ccc1O 5665085 VJOBNGRIBLNUKN-FWSJURHISA-N 388.416 3.199 0 1 GGAF in-vivo CC(=O)c1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)[nH]n1 11819614 ZKPAVPWCSDBJHF-QGZVFWFLSA-N 377.448 3.222 0 3 GGAF O=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CCN(c2ccc(Cl)cc2)CC1 12199798 KBFJENUZSPPQRO-MRXNPFEDSA-N 389.927 3.170 0 3 GGAF CCOC(=O)C[C@H]1c2cc(F)ccc2S(=O)(=O)N1c1cccc(OC)c1 12479239 RKYGEHBUIFVGQN-INIZCTEOSA-N 379.409 3.038 0 3 GGAF CCOP(=O)(OCC)OCN1C(=O)c2c(C(C)C)cccc2S1(=O)=O 13602816 ZTBNRXOFFFAGPB-UHFFFAOYSA-N 391.382 3.110 0 1 GGAF Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccc(=O)n(C)n1 13637022 UXHLBAUIGULQHR-HSZRJFAPSA-N 398.466 3.358 0 3 GGAF NC(=O)c1ccc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc1 14957472 ZQGCVZAWSFLXOG-IBGZPJMESA-N 386.455 3.278 0 1 GGAF Cc1ocnc1C(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 169707997 PAYHANJDDQRKOX-UHFFFAOYSA-N 390.403 3.187 0 1 GGAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1F 1857576672 AWWUYDZLEDJEGP-FQEVSTJZSA-N 395.434 3.439 0 1 GGAF O=C(CCc1cccnc1)Nc1ccc(CN2C(=O)c3ccccc3C2=O)cc1 1857758891 JAQNNBSRSOVLAE-UHFFFAOYSA-N 385.423 3.449 0 1 GGAF c1ccc([C@H]2CCN(c3ncnc4c3cnn4CCN3CCCCC3)C2)cc1 208733416 MOEBXQNKDNLLMQ-IBGZPJMESA-N 376.508 3.306 0 1 GGAF COC(=O)C1=CCC[C@](C)(O)[C@@H](O)CCC(C(=O)OC)=CC=C(C(C)C)CC1 2356496475 VRJMJUCQLYGVBY-UGKGYDQZSA-N 394.508 3.234 0 1 GGAF CC(=O)O[C@@H]1C[C@H](C)[C@](O)(CCC2=CC(=O)O[C@@H]2O)[C@@]2(C)CCCC(C)(C)[C@H]12 2356417371 ZHDFOHJIRGVVGC-KKBWBPDBSA-N 394.508 3.103 0 1 GGAF CCN(CC)C(=O)[C@H]1CCC[C@H](NCc2cccc(Cl)c2)CN(C)C(=O)C1 2356501941 RPXSDABJXLBYAE-HKUYNNGSSA-N 393.959 3.315 0 1 GGAF Cc1ccc(C)c(SCc2noc(C(=O)NC[C@@H]3CCCO3)c2C(=O)O)c1 8691350 KYEAKVQAEYTNDI-ZDUSSCGKSA-N 390.461 3.191 0 3 GGAF O=c1c(O)cccn1CS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 29130074 GLZLLWJIHUOGHO-UHFFFAOYSA-N 391.832 3.431 0 1 GGAF COC(=O)[C@H]1CC(=O)N(c2cccc(OCc3nc4ccccc4s3)c2)C1 27318586 VGXUJYGWPFXFQH-ZDUSSCGKSA-N 382.441 3.401 0 1 GGAF CCOC(=O)Cc1csc(C(=O)c2ccc3[nH]c(NC(=O)OC)nc3c2)c1 27423517 LYASIVXFWCFXMP-UHFFFAOYSA-N 387.417 3.139 0 1 GGAF Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1N1CCC2(CCNCC2)C1=O 68208884 FWDIGXJMBTVNDB-PZJWPPBQSA-N 396.579 3.165 0 1 GGAF CN(C)CCNC(=O)c1ccc(-c2ccnc(Nc3cccc(F)c3)n2)cc1 63539921 MSTZEFKMCRIOTQ-UHFFFAOYSA-N 379.439 3.318 0 1 GGAF CCc1nc2ccc(C(=O)NC3CCN(C)CC3)cn2c1N(C)CCC(C)C 61897709 OJNOWFVSORSINA-UHFFFAOYSA-N 385.556 3.203 0 3 GGAF CC(=O)O[C@@H]1C=C2CC[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)=C[C@]2(C)[C@H](C)C1 2356797912 OPMBDFTWIJVUDF-IQRXFYDRSA-N 378.465 3.494 0 1 GGAF CCOC(=O)[C@@H]1CCCN(C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC=C(C)C4=C[C@@H]32)C1 504657005 COBANFXUQLODDA-IRFBUKLWSA-N 387.520 3.496 0 1 GGAF biogenic CN1CCN(c2cccc3[nH]c(CN(C)[C@@H]4CCCc5cccnc54)nc23)CC1 34641573 RARYKEKXHDOFGV-LJQANCHMSA-N 390.535 3.219 0 1 GGAF COc1ccc(-c2oc3cc(O)c(OC)c(OC)c3c(=O)c2OC)cc1OC 14436914 DFMQEEUDLFLPFL-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic CC(=O)O[C@]1(C)C(=O)C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(COC(=O)C1)O2 13455994 RQLCYKFHKADHTG-ZYXNFWPYSA-N 392.492 3.349 0 1 GGAF biogenic CC(=O)O[C@@]1(C)C(=O)C[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@]1(O)CCc1ccoc1 85724330 CJAPKANNYVSMFT-WFMNFSIZSA-N 392.492 3.043 0 1 GGAF Cc1cnc(N2CCC[C@@H](C(N)=O)C2)nc1NCc1cccc(C(F)(F)F)c1 82204329 XRAFYIOXAPPPBA-CQSZACIVSA-N 393.413 3.118 0 1 GGAF Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(CNN3CCCC3)ccc1C2=O 49068636 YYYIDTIJNXZLBB-UHFFFAOYSA-N 389.434 3.177 0 1 GGAF Cc1cccc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cn(Cc3ccc(C4CC4)cc3)c12 84668795 WNUKUQQCJQGENF-ONTLXTELSA-N 393.483 3.029 0 1 GGAF F[C@@H]1CNCCC[C@H]1Oc1cccc2ccc(-c3nnc4ccccn34)nc12 96175004 KDDDVGDVYWKNOE-NVXWUHKLSA-N 377.423 3.413 0 1 GGAF CC(=O)NCc1cccc(-c2cc(=O)n(C[C@H]3CCCNC3)c3ccccc23)c1 95590935 DQDBUGTUCPVHGY-IBGZPJMESA-N 389.499 3.304 0 1 GGAF CCOC(=O)[C@H]1[C@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2C 253636832 VOUOGJPPHPSUFT-QXSJWSMHSA-N 399.272 3.421 0 1 GGAF NS(=O)(=O)c1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1 299852243 PHNISBVYCVYISH-UHFFFAOYSA-N 383.458 3.144 0 1 GGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(F)cnc(Cl)c4[nH]3)cc12 587038361 RPEPXKDQYQGUMD-SSDOTTSWSA-N 392.847 3.498 0 1 GGAF CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440919 INBWDCIGWZYRCA-UZUQRXQVSA-N 394.423 3.169 0 1 GGAF CCOC(=O)[C@H]1CCc2ccccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587440328 GCYJHMYQFDNSLD-PMAPCBKXSA-N 378.424 3.464 0 1 GGAF CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(F)cc21 587572031 QJHPKNDQYZAGQM-PGRDOPGGSA-N 391.354 3.365 0 1 GGAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2nc(Br)c[nH]c-2n1 587108385 LPNJRHBSGKKHAI-UHFFFAOYSA-N 387.115 3.451 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc(F)cc1 587569277 HIPWAKGLVPXQDZ-UTKZUKDTSA-N 380.327 3.473 0 1 GGAF COC(=O)c1csc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587852048 JRJFMHZOQGVVBX-UHLUBPPHSA-N 385.258 3.455 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(OCCn4ccnc4)cc3)c3cccc1c32 963032837 TXPDRARDYRSNFR-HXOBKFHXSA-N 388.471 3.105 0 1 GGAF CC(=O)OC[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C[C@@H](C1=CC(=O)O[C@H]1O)O2 5664194 NOFRYDHCCCFKCU-IHBVCYBESA-N 392.492 3.121 0 1 GGAF CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccccc3)cc12 14977704 JXWIJRDNLAVHAV-UHFFFAOYSA-N 385.533 3.456 0 1 GGAF O=C(Nc1ccc(C(=O)N2CCC3(CCN3)CC2)cc1)N1Cc2ccccc2C1 166798450 QQNRPMNTXMUPFB-UHFFFAOYSA-N 390.487 3.202 0 1 GGAF CN(C)C(=S)SCC(CSC(=S)N(C)C)C(=O)c1nccs1 207735025 ADTVTWPIWAPEQH-UHFFFAOYSA-N 393.650 3.101 0 1 GGAF CN1C=CN(CCN(Cc2ccccc2)S(=O)(=O)c2ccccc2)/C1=C/N=O 209133737 HBEKZZYRKMONPU-CAPFRKAQSA-N 398.488 3.161 0 1 GGAF CCOC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)c(Cl)c3)nc12 1857580735 YRIPSXMUDOIREQ-UHFFFAOYSA-N 380.231 3.341 0 1 GGAF COC(=O)C1=C(N)Oc2c(OC)cccc2[C@H]1CC(=O)c1ccc(Cl)cc1 1857773070 ZFFOXRRSSVSHEW-CQSZACIVSA-N 387.819 3.441 0 1 GGAF CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC[C@](C)(C(=O)CO)C=C3CC[C@H]2C(C)(C)[C@H]1O 2356403023 XJODMDZLXVNEOR-KWPRLHDRSA-N 378.509 3.029 0 1 GGAF Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)c1 6805570 PZHMNUFWWQGXGV-UHFFFAOYSA-N 383.473 3.111 0 1 GGAF CC(C)NC(=O)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1 114773109 VMIQSCOZFCODSP-UHFFFAOYSA-N 380.448 3.321 0 1 GGAF COCCNC(=O)[C@@]1(C)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61904661 SCLZMOYOCNMLTB-GOSISDBHSA-N 380.366 3.224 0 3 GGAF CC(=O)N[C@H](c1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 61906901 DVBQMXSSPIFFBV-GOSISDBHSA-N 386.498 3.439 0 3 GGAF CC(=O)c1cc(C)ccc1OC[C@@H](O)CN1CCN(c2ccccc2C)CC1 28635903 KOOOVULVDNTNLZ-FQEVSTJZSA-N 382.504 3.068 0 1 GGAF COc1ccc(NC(=O)[C@H]2Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1 61905502 ARPGCALCXYLIFC-HXUWFJFHSA-N 390.395 3.428 0 3 GGAF C=COC(=O)NCCSc1nc2ccc(NC(=O)[C@H]3CCOC3)cc2s1 45253100 GVTVZGRZPYXRLV-NSHDSACASA-N 393.490 3.233 0 1 GGAF COCCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(F)cc1 82136368 SAIUPUGVOUROSU-UHFFFAOYSA-N 386.471 3.285 0 1 GGAF CSc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1 1911584385 MKNLNYPXJFOEJD-QGZVFWFLSA-N 395.532 3.450 0 1 GGAF CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCc3cccc(C(F)(F)F)c3)n2)C1 82204284 VSMVGPROYVEKCV-MRXNPFEDSA-N 393.413 3.131 0 1 GGAF Fc1ccc2nnc(-c3ccc4cccc(O[C@@H]5CCNC[C@H]5F)c4n3)n2c1 96175021 CTVPSIXLKPKNTQ-GDBMZVCRSA-N 381.386 3.162 0 1 GGAF CCOC(=O)CCN1c2c(ssc2=O)Sc2ssc(=O)c21 142256705 LBNZFSHDWNVSMZ-UHFFFAOYSA-N 379.531 3.209 0 1 GGAF CCOC(=O)CC[C@H]1CC[C@]2(CCCN(S(=O)(=O)C3CCCCC3)C2)O1 96018991 GPKHTZGGEXYMGW-LPHOPBHVSA-N 387.542 3.006 0 3 GGAF CCC(=O)N(C)C[C@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(C)=O 95895931 LFVZONGIIWXQAC-XJUOHMSHSA-N 398.478 3.036 0 1 GGAF COc1cc(C(C)=O)c(OC)n1-c1cc2cnccc2c(Br)n1 587939323 BRLSDAWNTWSCTN-UHFFFAOYSA-N 376.210 3.403 0 1 GGAF N=c1[nH]c2c(s1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617233 JIOIIJVHHQRKBB-QRWLVFNGSA-N 380.425 3.455 0 1 GGAF COc1ccc2c(c1)NC(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587793273 NDQDXRXUBUWYIX-NIVTXAMTSA-N 391.240 3.327 0 1 GGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1CCCN1C(=O)c2ccccc2C1=O 587651656 XIZJJCKKXRFDBT-UHFFFAOYSA-N 396.468 3.109 0 1 GGAF Nc1ccnc2[nH]c(CCC[S@](=O)c3ccc(Br)cc3)nc12 586959589 KJYGDJPIBYNNBZ-QFIPXVFZSA-N 379.283 3.043 0 1 GGAF NC(=O)Nc1cccc(-c2nc3ccc(I)cc3[nH]2)c1 587241792 IIHIFWMZOLFXCI-UHFFFAOYSA-N 378.173 3.325 0 1 GGAF Cc1nn(C(=O)OC(C)(C)C)c(C)c1[C@H]1c2ccsc2CCN1C(N)=O 962701823 CKBQAYSUBZIQIJ-OAHLLOKOSA-N 376.482 3.371 0 1 GGAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2cnc(C(F)(F)F)s2)N1 963216998 AXJFUXKGGQGXNC-TZMCWYRMSA-N 379.363 3.398 0 1 GGAF O=C([C@@H]1Cc2ccccc2[C@H](c2ccc(Sc3nc[nH]n3)o2)N1)C(F)(F)F 962729668 IXTFDYXSSPVQAD-SMDDNHRTSA-N 394.378 3.284 0 1 GGAF CC[C@H](Sc1nnc(C)c(O)n1)C(=O)Nc1ccc(OC(F)(F)F)cc1 5875134 WGDFCBMSNNKAIB-NSHDSACASA-N 388.371 3.294 0 1 GGAF O=C(NCCc1cn2ccccc2n1)c1cc(COc2c(F)cccc2F)on1 12429407 MUZKFDLJGQTNHM-UHFFFAOYSA-N 398.369 3.152 0 3 GGAF COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1cccc2ccccc12 13125873 FLWCJMBINCLEJX-IBGZPJMESA-N 382.416 3.218 0 3 GGAF NC(=O)Cc1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 13580936 XPEBENJJZXOJBA-UHFFFAOYSA-N 380.452 3.083 0 1 GGAF COC(=O)c1c(O)cccc1OCCNc1cccc(-c2cc(C(=O)O)no2)c1 14954242 GDNDGFOQLUIHEF-UHFFFAOYSA-N 398.371 3.023 0 1 GGAF Cc1cc(C)nc(N2C[C@H]3CCN(C(=O)c4ccccc4-n4cccc4)C[C@@H]32)n1 169701371 XBMJYTBILCSPGW-NQIIRXRSSA-N 387.487 3.235 0 1 GGAF COc1ccc(CC(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)cc1 206020371 PCUZUAPUDDUDRL-RHSMWYFYSA-N 388.826 3.292 0 3 GGAF O=C(NCCCn1ccnc1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166710386 DDWGZODGKBAHTO-UHFFFAOYSA-N 389.459 3.251 0 1 GGAF Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCCCC45CC5)ccc23)cn1 205653566 YHIXUZNVPSVRKH-UHFFFAOYSA-N 375.476 3.253 0 1 GGAF c1cc(N2CCCCC2)nc(Nc2ccc(OCCCN3CCOCC3)cc2)n1 1857541306 NGRIABCSAIJBMN-UHFFFAOYSA-N 397.523 3.312 0 1 GGAF CCOC(=O)C(O)(C(=O)OCC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1647607 YVGAGNKRDJQRDI-UHFFFAOYSA-N 380.481 3.301 0 1 GGAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1cccc(/C=C/I)c1)N2 101064480 AHEMMEONOCHONP-XLZHBIPXSA-N 397.256 3.489 0 1 GGAF C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4OC[C@@H]32)CC1 26648685 MUUSOYWTPTTZII-ZRZOGXOHSA-N 389.499 3.129 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc([C@H](C)N3CCOCC3)cc1)C2 28334340 CQESHWHFRATISZ-OYHNWAKOSA-N 397.471 3.283 0 1 GGAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCc3ccc4ccccc4c3)[C@H](C)[C@H]12 26495608 XHFNXZCUYJYMAW-XHSVMWQWSA-N 397.496 3.269 0 1 GGAF CO[C@]12C[C@@H]3C(=O)CC[C@H](C)[C@]3(C)[C@H](OC(=O)C=C(C)C)C1=C(C)C(=O)O2 2356860238 UDAQXTOMMRTMKH-KCIZEZAMSA-N 376.449 3.106 0 1 GGAF COc1cccc(-c2cc3nc(NCCN4CCCC4)n(C)c(=O)c3s2)c1 61908757 FWNCNSCNRYKSOG-UHFFFAOYSA-N 384.505 3.178 0 3 GGAF C[C@@]1(c2cc(NCc3nn(C(F)F)cc3Cl)ccc2F)COCC(N)=N1 143094788 UWJFBDWADBANMX-INIZCTEOSA-N 387.793 3.285 0 1 GGAF CN(c1nc(Cl)nc2ccccc12)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 143216718 YZUVZCHVPRGQEI-GFCCVEGCSA-N 379.855 3.270 0 1 GGAF Clc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NC[C@@H]1CCCO1 299852594 VBTKXKSMAGZSGU-INIZCTEOSA-N 389.887 3.301 0 1 GGAF Cc1ccc2c3c(c4c(nc13)C[C@H]1[C@@H](C(=O)O)NC[C@@H]1C4)-c1ccccc1C2=O 587097003 NIEFJPCGITUYKM-OLZZKDKNSA-N 384.435 3.142 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3c(c2)OCCN3C)N1 587774443 NPZWIAIEZJGARI-QGHHPUGFSA-N 392.272 3.435 0 1 GGAF C[C@H](Sc1ncccn1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586962394 RAPDTZJLRPYYBN-QMMMGPOBSA-N 388.396 3.500 0 1 GGAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587189790 DXGNHBOOEBPGOZ-LBPRGKRZSA-N 388.859 3.327 0 1 GGAF NC(=O)C1C[C@@H]2CC[C@H](C1)C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578091 MBTPXCIHAWFHSW-AKOFQBSRSA-N 379.412 3.014 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)NC(C)(C)C)cc1)O2 587409344 LQAQUELXOJPMQY-GOSISDBHSA-N 388.489 3.361 0 1 GGAF O=C1CSc2ccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2N1 587044357 UIRNLCILNGSEQX-UHFFFAOYSA-N 380.473 3.106 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](S(C)(=O)=O)C2)N1 587850806 RZGCXXUQJNRGBT-SIVJFFJCSA-N 390.318 3.305 0 1 GGAF O=C(O)COc1ccc2ccccc2c1[C@H]1NCCc2c(C(=O)O)cccc21 963120935 IAOSXIAWDQVKAT-NRFANRHFSA-N 377.396 3.237 0 1 GGAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@]2(CCCCc3c[nH]cc32)N1 962634998 NNDMGBFOKYPVGF-KBXCAEBGSA-N 380.366 3.482 0 1 GGAF Cn1cccc1CN1CCc2sccc2[C@H]1c1ccc2c(c1)n(C)c(=O)n2C 962400108 SJMFBGYSCUBUHX-OAQYLSRUSA-N 392.528 3.425 0 1 GGAF COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1 13761869 YUDKAOHWTPCIOC-UHFFFAOYSA-N 397.378 3.214 0 1 GGAF COC(=O)C1=C(C)N2CCS[C@@]2(C)[C@H](C(=O)OC)[C@H]1c1cccc(Cl)c1 17220869 HTOPLRWJQODIPS-BXWFABGCSA-N 395.908 3.438 0 1 GGAF O=C(C[C@H]1CCOC1)NCCc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 165840252 KOYHSOMKHOPSPM-GOSISDBHSA-N 393.487 3.320 0 1 GGAF COC1(c2cccc(F)c2)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 221799707 PSUHHZHLRLIGIY-UHFFFAOYSA-N 386.452 3.027 0 1 GGAF Cc1coc2c(C)c3oc(=O)c(CCC(=O)N4CCC[C@@H]4C(=O)O)c(C)c3cc12 2152940 MPNAVHPQOSRCPO-QGZVFWFLSA-N 397.427 3.473 0 1 GGAF biogenic O=S1(=O)C[C@@H](N2CCC(c3ccccc3)CC2)CN1Cc1ccc(F)cc1 72139681 KYVVKAJNOHMCMX-NRFANRHFSA-N 388.508 3.219 0 3 GGAF C[C@@H](OC(=O)CCc1ccccc1)[C@@H]1CN(C(=O)CCc2ccccc2)C1=O 45315639 CTJHECFOTWAHFR-XLIONFOSSA-N 379.456 3.169 0 1 GGAF C/N=c1\[nH]c2cnc(Nc3cc(OC)c(OC)c(OC)c3)cc2n1CC1CC1 82083009 NEQFMUYHONTNNM-UHFFFAOYSA-N 383.452 3.074 0 1 GGAF O=C(NCCN1CCOCC1)c1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1 45227034 ULEMYFZXRSIDNR-UHFFFAOYSA-N 394.393 3.140 0 1 GGAF N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3ccco3)c2=O)cc1 25235598 ZPIYPFDTGXZQME-AEFFLSMTSA-N 385.423 3.239 0 1 GGAF biogenic COc1ccc(-c2cccc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1O 96930122 HTDYMQCSVCEHBS-UHFFFAOYSA-N 383.400 3.245 0 1 GGAF COC1CCC2(CC1)Oc1ccc(-c3ccccc3)cc1[C@@]21N=C(N)N(C)C1=O 141472285 VCBWNXHWXUEHCC-KGBGCIRMSA-N 391.471 3.056 0 1 GGAF O=C(c1c(O)ccc2cccnc12)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 473170802 PSWFZILNDVZSTQ-IKGGRYGDSA-N 375.428 3.408 0 1 GGAF Cn1c(=O)n(C)c2cc(Nc3nc4n(n3)CCC[C@@H]4c3ccc(F)cc3)ccc21 299834274 RTOQDKSHWYJEHW-MRXNPFEDSA-N 392.438 3.277 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1ccccc12 587770394 QGAPLESZHAMBIY-XTZNXHDOSA-N 375.241 3.342 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)O)n(C)c2)N1 587754032 XMUOSZICFIKFSS-XLFHBGCDSA-N 381.245 3.423 0 1 GGAF O=C1Cc2nc3nc(O)nc(O)c3cc2[C@H](c2ccc(C(F)(F)F)cc2)C1 587367955 CYRSSPAAMVRHNI-NSHDSACASA-N 375.306 3.102 0 1 GGAF O=C(c1cc(O)ccc1O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655854 GGZWLRGMZFCRQB-UHFFFAOYSA-N 394.333 3.441 0 1 GGAF O=C(O)c1cccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587117758 GSEDWYVGTJGXQT-UHFFFAOYSA-N 377.282 3.180 0 1 GGAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 587168492 YDCCWQSPTGBHBE-QGZVFWFLSA-N 392.398 3.047 0 1 GGAF COC(=O)C[C@]1(c2cccc(OC)c2OC)CC(=O)c2cc(C)cc(N)c2O1 587400709 SEYQHXRUZOCKSR-NRFANRHFSA-N 385.416 3.018 0 1 GGAF c1ccc2c(c1)OC[C@@H](CNCC1CCN(c3cccc4c3OCCO4)CC1)O2 13799910 OGFDOBGWVXITBG-GOSISDBHSA-N 396.487 3.104 0 1 GGAF [11CH3]OC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(/C=C\I)cc1)N2 169353195 GZWPHROGQGOESZ-ODVVZMKQSA-N 396.256 3.489 0 1 GGAF COc1ccc2[nH]cc([C@]3(O)C(=O)N(C)c4ccc(Br)cc43)c2c1 205213403 DNNBCGKMIDQTST-SFHVURJKSA-N 387.233 3.151 0 3 GGAF COc1ccccc1CC(=O)N1N=C(c2ccccc2C)C[C@@]1(O)C(F)(F)F 1857637164 BQQUHDACNAKOGU-LJQANCHMSA-N 392.377 3.434 0 1 GGAF O=C(O)c1csc(-n2nc(-c3ccccc3)c3ccc(N4CCC4)nc32)n1 205479135 VYZFMHDHVMLELE-UHFFFAOYSA-N 377.429 3.452 0 1 GGAF COc1ccc(OC)c2[nH]c(CCc3nc4c(OC)ccc(OC)c4[nH]3)nc12 13285089 NBINHNJBMXCKQF-UHFFFAOYSA-N 382.420 3.259 0 1 GGAF COc1ccc(-c2noc(N3CCC(C(=O)N4C[C@@H](C)C[C@@H](C)C4)CC3)n2)cc1 6833830 DOQQOACJDODUJH-IYBDPMFKSA-N 398.507 3.466 0 1 GGAF CCCC[C@@]12[C@@H]3C[C@H]4[C@H]5[C@@H](C)C(=C6OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 2356402324 DTVYAHOULQCSMS-OHMGMYBTSA-N 387.476 3.090 0 1 GGAF CN(C(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O)C1CCCCC1 20574605 KQQJPCFAUQTHBU-UHFFFAOYSA-N 398.438 3.372 0 1 GGAF Cc1ccccc1NC(=O)Cn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O 20563031 RBQDXLAWWREAEX-UHFFFAOYSA-N 387.443 3.146 0 1 GGAF C[C@]1(O)CCN(C(=O)C2CCCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356320412 FSIGGWGMMJHNFO-JTAQYXEDSA-N 384.520 3.186 0 1 GGAF Cc1ccc(C2(O)CCN([C@@H](C)[C@@H](O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1 28952098 DSRUIFDXWAYHHS-GAJHUEQPSA-N 394.515 3.285 0 1 GGAF O=C(NC1CCCCC1)[C@H](Cc1ccccc1)NC(=O)n1nnc2ccccc21 28113996 ANTPFYLQZPZACB-IBGZPJMESA-N 391.475 3.049 0 1 GGAF CCCCn1nnnc1[C@@H](C1CC1)N1CCN(C/C=C/c2ccccc2)CC1 72104810 FUKYUXJKZORQBF-TYOLEZHBSA-N 380.540 3.255 0 3 GGAF CC(C)CCn1c(Cn2c(=O)n(C(N)=O)c3ccccc32)nc2ccccc21 38142815 WKGNSTZTPYHNFZ-UHFFFAOYSA-N 377.448 3.174 0 1 GGAF COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cncnc4N)ccc23)cc1 221625086 CGJGELTYXBIHNQ-UHFFFAOYSA-N 399.454 3.167 0 1 GGAF C[C@]1(C(=O)NCc2ccccc2)CCC(=O)N1CCc1c[nH]c2ccccc12 199397584 JQKBSOHTAQAMQD-HSZRJFAPSA-N 375.472 3.408 0 3 GGAF Cc1ncc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)s1 225559829 FYPMLSDRIOYKRB-UHFFFAOYSA-N 378.461 3.288 0 1 GGAF COCC(=O)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C1CCCC1 95664499 SCTSVEPETZLQBP-CQOQZXRMSA-N 398.547 3.088 0 1 GGAF CCCNC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(C)=O 95895582 ICLDRKSGEYCSHN-FKBYEOEOSA-N 399.535 3.028 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ncccn1)CC2 587582878 ORUPCJQYUZUGSU-GOSISDBHSA-N 389.411 3.183 0 1 GGAF Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnc2ncnn12 587798786 WDKWGOULTRJNNY-VVVCHXIZSA-N 390.260 3.132 0 1 GGAF O=C(NCCc1ccccn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661334 XKXQHWOYNPBQAR-UHFFFAOYSA-N 388.402 3.398 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccccn1)CC2=O 587489169 SREZGNPMLWEIPA-QFIPXVFZSA-N 397.427 3.123 0 1 GGAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(I)cc2[nH]1 587094183 LUQCWLRCCUJDFD-ZCFIWIBFSA-N 397.138 3.297 0 1 GGAF COc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Cl 587171372 XRJBLMQLEBLRSN-UHFFFAOYSA-N 383.832 3.185 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(C(C)(C)C)N1 587847651 GRROSWHTRXMVQP-QLJPJBMISA-N 392.334 3.408 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)n[nH]c2C(=O)O)N1 587704187 IKPFHXSBPUSRQD-BLTYZCFWSA-N 388.624 3.287 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1NC(=O)CCC(=O)O)O2 587385391 CLLMUAPICGYFNV-OAQYLSRUSA-N 382.416 3.261 0 1 GGAF Cc1ccc(S(=O)(=O)n2cccc2[C@]2(C)NCCc3c(C)ccnc32)cc1 963075556 SOSGPFYBFWJESQ-NRFANRHFSA-N 381.501 3.146 0 1 GGAF O=c1nc(-c2ccc(OS(=O)(=O)c3ccccc3)cc2)[nH]c2ccccc12 1772590548 MFEIQEWSTXSNLB-UHFFFAOYSA-N 378.409 3.358 0 1 GGAF COc1cccc(CN2C[C@@H](C(=O)NCc3ccc(C)c(F)c3)CCC2=O)c1 12073209 QYEMZIMBLLNIMG-SFHVURJKSA-N 384.451 3.198 0 3 GGAF COc1cccc2c1CCC[C@@H]2C(=O)NCCN1CCN(c2ccccc2)CC1 12356287 ZNLVNNSCBPOHJX-QFIPXVFZSA-N 393.531 3.054 0 1 GGAF O=C(NCc1ccccc1)N[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2)C1 13493792 UNKDOCMYERTLKJ-BGYRXZFFSA-N 380.492 3.296 0 1 GGAF O=C(O)c1cc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2cc1-c1ccncc1 205519333 UFJBMYFODFJPEU-UHFFFAOYSA-N 388.305 3.200 0 1 GGAF O=C(COc1ccccc1)Nc1nc2ccccn2c1C(=O)NC1CCCCC1 1857616218 XTTMAWDBMODHHA-UHFFFAOYSA-N 392.459 3.414 0 1 GGAF COc1cc2nc(C3CC3)n(NC(=O)c3ccc(Cl)cc3)c(=O)c2cc1OC 1365114 WUBSCAIZXLESNO-UHFFFAOYSA-N 399.834 3.328 0 3 GGAF Cc1c2cnn(CC(=O)NC(C)C)c(=O)c2c(C)n1Cc1cccc(Cl)c1 6808017 ZXBZBEFMPHMRKU-UHFFFAOYSA-N 386.883 3.041 0 1 GGAF CC(=O)N1C[C@H]2C[C@H]1CN2Cc1ccc(Oc2nc3ncccc3s2)cc1 101597614 MYVQRDNUBADNBB-CVEARBPZSA-N 380.473 3.289 0 1 GGAF O=C([C@H]1CC12CCN(c1ccncc1)CC2)N1CCN(C2CCCCC2)CC1 103243018 VBIOHMFBWGEKCI-OAQYLSRUSA-N 382.552 3.165 0 1 GGAF Cc1ccc2c(c1)OC[C@H](CN1CCC(n3c(=O)[nH]c4cc(C)ccc43)CC1)O2 27883474 KCMJCGZQPVIBOK-SFHVURJKSA-N 393.487 3.423 0 1 GGAF CCCN(CC)[C@@H](C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 27745171 PQENCFPZEXGXCE-HNNXBMFYSA-N 388.508 3.289 0 1 GGAF O=C(O)C[C@H]1CCN(C(=O)c2cccc(F)c2)C[C@@H]1Cc1nc2ccccc2[nH]1 2356302769 YEIKQLICDCFEAN-ZBFHGGJFSA-N 395.434 3.498 0 1 GGAF Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)o1 110652394 DAACUMHLEGOAHT-RBUKOAKNSA-N 392.386 3.274 0 1 GGAF Nc1ccccc1NC(=O)CCCCNC(=O)c1ccnc(N2CCCCC2)c1 117587418 ZCMLAAGGNAXIPD-UHFFFAOYSA-N 395.507 3.193 0 1 GGAF CCOc1c(NC(=O)NC)c(OCCN2CCCCC2)c(OC)c2occc12 29407508 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GGAF C/C=C(\C)C(=O)O[C@@H]1C[C@H](O)[C@H](O[C@H](C)CCCCCCC(=O)O)O[C@@H]1C 263614365 IARVMWOCDIKRTC-KPDNTERGSA-N 386.485 3.191 0 1 GGAF in-vitro Cc1ccc(N2CCN(C(=O)COc3cc(=O)oc4ccccc34)CC2)c(C)c1 299839313 XSBSBLHHMSRTIG-UHFFFAOYSA-N 392.455 3.137 0 1 GGAF O=C(NCCc1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)S(=O)(=O)O 653704166 DWQHSBLLKHGBND-OAHLLOKOSA-N 388.272 3.281 0 1 GGAF CCOc1cc(CC(C)=O)c(OCC)n1-c1nc(N2CCCCC2)ncc1F 587946078 RYGVFVGSJXNEPI-UHFFFAOYSA-N 390.459 3.326 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)CN1CCOCC1 587863067 CBGNUJDNQMMBFZ-CYBMUJFWSA-N 397.397 3.186 0 1 GGAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 587346548 JIGZHWGJTMANNI-UGKGYDQZSA-N 391.354 3.443 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(N)=O)N1 587740411 AUDVMXYHPMDEPH-MLCYQJTMSA-N 393.256 3.076 0 1 GGAF CCCc1c(O)ccc2c1O[C@](c1ccncc1)([C@@H]1CCCN(C)C1=O)CC2=O 587474177 FGSINCDOQLLVAJ-WZONZLPQSA-N 394.471 3.469 0 1 GGAF COc1c(F)ccc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1N 587132551 DALCMINXOCWHGG-UHFFFAOYSA-N 389.330 3.253 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc3nc(O)n(c23)CC[C@@H]1N=O 587395891 VRRCAOLRVIPUMY-OXJNMPFZSA-N 378.388 3.032 0 1 GGAF O=C(C[C@]1(C2CC2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21)C(F)F 962980330 UGLACORHPCOICS-MGPLVRAMSA-N 379.737 3.047 0 1 GGAF FC(F)(F)C(F)(F)CN[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772598247 MTLUDIPPATWNEI-MGCOHNPYSA-N 388.344 3.419 0 1 GGAF CCCC1(CCC)C(=O)OC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 13558772 PPPVQLWFQFWGDJ-CQSZACIVSA-N 393.427 3.496 0 1 GGAF CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1ccccc1 13584488 JRWOCXRWGCBZFZ-UHFFFAOYSA-N 388.533 3.154 0 1 GGAF COc1cc2c(cn1)CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 169711703 ATNKIZKOAYUJMJ-UHFFFAOYSA-N 390.422 3.205 0 1 GGAF CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201103517 YMHHOMWYJPBNDD-LQNXUBFPSA-N 384.520 3.092 0 1 GGAF CC[C@@H]1[C@H](C(=O)O)[C@H]1[C@@](N)(CC1c2ccccc2Oc2ccccc21)C(=O)O 4394180 NBAKIHCDPVZWRB-KQLBNOIASA-N 381.428 3.453 0 1 GGAF Cn1c(SCC(=O)NCc2ccc(F)cc2)nc2c3ccccc3nc-2c1O 100705177 AMFOZHVKUIVWBV-UHFFFAOYSA-N 396.447 3.326 0 1 GGAF COc1cc(C)cc(O)c1C(=O)c1cccc(OC=C[C@H](C)C(=O)O)c1C=O 2356525484 QLMLRTCODOKNMY-ZDUSSCGKSA-N 384.384 3.366 0 1 GGAF COCCN/C=C1\C(=O)N(C)c2ccc(C3CC3)cc2N(c2ccccc2)C1=O 66263290 CMCVHLNXTUCBKZ-XDJHFCHBSA-N 391.471 3.325 0 1 GGAF C[C@@H]1CC=CCCC=C[C@@H](O)CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 1911576153 TUWXCBZAZLTDAW-CHWSQXEVSA-N 394.851 3.455 0 1 GGAF COc1cc([C@@H]2[C@@H]3Nc4ccccc4[C@@H]3C[C@H]3CCC(=O)N32)cc(OC)c1O 40449513 MZSKXOJALGTISZ-NEGFDYCVSA-N 380.444 3.423 0 1 GGAF O=C(NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1)c1ccccn1 49115283 DNZVJMREPQKCOP-UHFFFAOYSA-N 385.427 3.444 0 1 GGAF CC[C@@]1(O)c2ccc(C(=O)N3CCN(C)CC3)cc2Oc2ccc(Cl)cc21 45366504 ZTUBMABUIBUAFO-OAQYLSRUSA-N 386.879 3.479 0 1 GGAF O=C(Nc1ccccc1)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)c1 195473469 MNPKRGHVMCTCKN-OLGWUGKESA-N 384.435 3.496 0 1 GGAF CCCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccc(F)cc1 95894631 CSSMSPNQBLKMRG-IRFCIJBXSA-N 397.450 3.333 0 1 GGAF Cc1cc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)cnc1N(C)C 143125792 GOFSIDFUVFJQQS-UHFFFAOYSA-N 378.480 3.234 0 1 GGAF COc1cn2c(c(CCCCC(C)=O)c1=O)C(=O)c1ccnc(CC(C)C)c1-2 29042112 AMAJESHGZRCEHZ-UHFFFAOYSA-N 382.460 3.286 0 1 GGAF biogenic O=C(N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)n1cccn1 299831158 IDKIWSBAUWXKAS-UHFFFAOYSA-N 376.460 3.248 0 1 GGAF COc1ccc(-c2cnn3c(=O)cc(-c4ccc5c(c4)OCCO5)[nH]c23)cc1 653624597 DTVBQMAMPMRGBO-UHFFFAOYSA-N 375.384 3.136 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 587871656 AWQYSHRTDNSWNM-OAHLLOKOSA-N 397.406 3.370 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc3c2NCCO3)N1 587793756 KXHIQHQYEPBNSE-HUTHGQBESA-N 378.245 3.411 0 1 GGAF COC(=O)Nc1ccc(-c2nc3cccc(I)c3[nH]2)cn1 587245836 ZLEABRXCUJAYQO-UHFFFAOYSA-N 394.172 3.408 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(S)nc2O)N1 587844160 MMYCXVRHNQUESE-NZFNHWASSA-N 384.274 3.170 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2ccc(=O)n3C)N1 587769096 NHJZWYAWYOUYBY-JEOXALJRSA-N 391.284 3.401 0 1 GGAF COc1cc2c3c(c1)O[C@](C)([C@H]1[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]41)[C@@H](C2)C3=O 587445302 UPJFSMAQENPDFX-GYBHKZTNSA-N 385.460 3.314 0 1 GGAF COC(=O)C[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587775601 SFQVLLJKXUYZHE-ADLMAVQZSA-N 393.256 3.324 0 1 GGAF COc1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)ccn1 587867345 BTWTUOIPIKZGCV-UHFFFAOYSA-N 378.310 3.065 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(C=C(CN3CCCCCC3)OCC1=O)CC2=O 587475839 QIDLIFONEQYOTP-QHCPKHFHSA-N 399.487 3.408 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C[C@H](CC(=O)O)c4cc(OC)ccc41)[C@@H](C2)C3=O 587442212 KKAXKWMQTZADPV-KRYGIPSASA-N 380.396 3.309 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1cc(F)ccc12 587735285 SYSNNYCKBMIGLC-NIVTXAMTSA-N 393.231 3.482 0 1 GGAF Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2cc3ccncc3[nH]2)cc1 1772631922 IPYPRGFJKANZMN-UHFFFAOYSA-N 385.427 3.327 0 1 GGAF CC[C@H]1CN(S(=O)(=O)c2ccccc2)CC[C@H]1CC(=O)NCc1ccco1 5412922 XVTYLYBRBQRSJO-IRXDYDNUSA-N 390.505 3.023 0 1 GGAF biogenic Nc1nc(N)c(-c2ccc(NC(=O)C3CC3)cc2)c(COCc2ccccc2)n1 13983434 ATKRWWYTIGCNEA-UHFFFAOYSA-N 389.459 3.373 0 1 GGAF CCOC(=O)[C@H](C)Oc1cc(N2C(=O)[C@@H]3CCCC[C@@H]3[C@@H]2O)c(F)cc1Cl 169305852 UXOCOOGEWMHURA-PXDYOCJYSA-N 399.846 3.281 0 1 GGAF CC1=C2C(=NC(=O)C[C@@H]2c2ccc(NC(=O)Nc3cccc(C)c3)cc2)NN1 207268515 FRIXDVCUSGTPAF-QGZVFWFLSA-N 375.432 3.433 0 1 GGAF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)[nH]cc2C)nc1 209442284 KOFQTNLYDZAPAI-PBHICJAKSA-N 378.432 3.035 0 1 GGAF CC(C)=CCN1Cc2c(I)ccc3[nH]c(=O)n(c23)C[C@@H]1C 6495328 HJJDAPOEFQATIV-NSHDSACASA-N 397.260 3.105 0 1 GGAF CC(=O)S[C@@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1ccc2ccccc2c1 27311677 AXTKUUGLRMYPBN-ROUUACIJSA-N 399.468 3.137 0 1 GGAF COc1cc2c(cc1OC)-c1c/c(=N\c3ccc(C)cc3C)n(C)c(=O)n1CC2 100788450 VXPPDSJBISYSNB-ZNTNEXAZSA-N 391.471 3.276 0 1 GGAF Cc1ccc(Oc2ccc(S(=O)(=O)N(C)c3cccn(O)c3=O)cc2)cc1 29128867 GVTAXPJFCIKNRR-UHFFFAOYSA-N 386.429 3.011 0 1 GGAF O=C(CN1CCN(CCc2ccccc2)CC1)[C@@](O)(c1ccccc1)C1CCC1 22940447 JSXGZWZYRXLLHZ-RUZDIDTESA-N 392.543 3.104 0 1 GGAF O=C1CSC[C@H]2Nc3ccnn3[C@H](c3ccc(F)c(Br)c3)[C@@H]12 29248689 YNZQUMXEPSTFGV-KCPJHIHWSA-N 382.258 3.100 0 1 GGAF CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O 34717744 CQPXKOPODPJAKY-SFHVURJKSA-N 382.416 3.309 0 1 GGAF CC(=O)c1cccc(OCC(=O)CN2CCN(c3cccc(C)c3C)CC2)c1 40762193 RMIBLBJEXXSICP-UHFFFAOYSA-N 380.488 3.276 0 1 GGAF CC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(=O)O 40956307 LWXQAQCBSRALPS-SFHVURJKSA-N 379.416 3.259 0 1 GGAF FC(F)(F)c1nc(NCCC2CCCC2)c2nnn(C[C@H]3CCCO3)c2n1 84729670 XUOZIZDLPTXDMR-GFCCVEGCSA-N 384.406 3.411 0 1 GGAF O=C(c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)N1CCOCC1 43023791 KKHZZAJHZSMPMV-UHFFFAOYSA-N 390.483 3.105 0 1 GGAF CC[C@H](C)c1nc2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2[nH]c1=O 82231541 JXEUXBSYCGGMRF-AWEZNQCLSA-N 381.455 3.297 0 1 GGAF CC(=O)N1CCC(N2CC[C@@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)CC1 51076760 GARRUMSXQVSUBG-CYBMUJFWSA-N 380.414 3.382 0 1 GGAF biogenic COc1cncc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 587118596 PQYUYMRDQGRYJM-UHFFFAOYSA-N 390.163 3.187 0 1 GGAF CS(=O)(=O)[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587605823 FGPLPQUIWKHJFC-UWVAXJGDSA-N 388.441 3.080 0 1 GGAF O=S(=O)(NCc1nc2ccc3ncccc3c2[nH]1)c1ccc(F)c(F)c1F 587135434 AJSXYLOWXQVXRL-UHFFFAOYSA-N 392.362 3.007 0 1 GGAF CN=c1[nH]c(SC)ncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610604 CYLQUVGAOJDFAV-MAUKXSAKSA-N 395.440 3.071 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]1OC1CN(C(=O)OC(C)(C)C)C1)O2 587397349 ZYEDPIOKQZKFPZ-DYESRHJHSA-N 388.464 3.080 0 1 GGAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnc2c(C(=O)O)cnn12 587525772 NNJZXQCBQFGWNB-JOCHJYFZSA-N 391.427 3.495 0 1 GGAF CCOC(=O)C(=O)C[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587792733 CPRRMQCJLIBDCY-QGHHPUGFSA-N 386.261 3.250 0 1 GGAF O=C(c1ccc(N2CCOCC2)cc1)c1ccccc1I 84397711 BQHOUMSYAAPXQC-UHFFFAOYSA-N 393.224 3.359 0 1 GGAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1cc(CC#N)no1 118710565 APJTZXVBWKJSFY-UHFFFAOYSA-N 396.403 3.347 0 1 GGAF CCCNC(=O)c1onc(CSc2ccc(F)cc2)c1C(=O)NCC1CC1 12726541 QOFDTEUGXXOPMV-UHFFFAOYSA-N 391.468 3.386 0 3 GGAF CCC(CC)(NC(=O)c1ccc(OC)c(-c2cccc(Cl)c2)n1)C(=O)NC 206685075 ZBZZGDPXELZQMT-UHFFFAOYSA-N 389.883 3.445 0 1 GGAF Nc1cccc(CNC(=O)c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)c1 166191644 NRBMYBPBHISIJE-UHFFFAOYSA-N 387.443 3.142 0 1 GGAF Cc1ccc(-c2ccc3c(c2)N(CCN2CCOCC2)C(=O)COC3)cc1C 205228850 OHIBNSCGURLZJC-UHFFFAOYSA-N 380.488 3.166 0 3 GGAF CC(=CC(=O)OC[C@H](O)CO)CC[C@]1(C)[C@H](C)[C@H](O)C[C@]2(C)C(C)=CCC[C@@H]21 2356396159 CDDTUFYDAJIDKP-MTMVXOAJSA-N 394.552 3.379 0 1 GGAF CCNC(=O)Nc1nc2cc(-c3ccc(OC)nc3)c(=O)n(C(C)C)c2s1 103263657 IFJKXJLNGMWOHT-UHFFFAOYSA-N 387.465 3.251 0 1 GGAF CC1(C)[C@H]2CC[C@H]3[C@@H](C[C@H](O)[C@@]4(C)[C@@H]5C(=CC[C@H]34)CO[C@@H]5O)[C@@]2(C)CC[C@H]1O 2356314201 RGGDHBJRMKFIJA-MCLCQFNOSA-N 390.564 3.498 0 1 GGAF C[C@@H](Nc1ncnc2c(C(N)=O)cc(-c3cnn(C)c3)cc12)c1cccc(F)c1 114347238 NNNVEAQZJOPFCS-GFCCVEGCSA-N 390.422 3.441 0 1 GGAF c1cnc(NC[C@H]2CCCO2)c(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c1 28570849 WNVFEKUGIWQBCB-CQSZACIVSA-N 395.419 3.237 0 1 GGAF CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCc2ccncc2)O3)cc1 61928733 XCMQZMMZBHGDDQ-HSZRJFAPSA-N 388.471 3.220 0 3 GGAF O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1cc(F)ccc1Br 113894453 TXBCOCGENUWIHP-AWEZNQCLSA-N 389.184 3.262 0 1 GGAF Oc1nc(-c2ccc(Cl)cc2)c(CCN2CCN(c3ccccn3)CC2)o1 26376981 HTYDYHZGNAVKBG-UHFFFAOYSA-N 384.867 3.460 0 1 GGAF O=C(O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCC1 64573402 YSXQSVXCIQHACF-SFHVURJKSA-N 390.480 3.375 0 1 GGAF CCCS(=O)(=O)Nc1ccc(C)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F 72182176 UGPIZHHQSBRTIR-UHFFFAOYSA-N 390.440 3.414 0 1 GGAF COC(=O)C1=C2C=COC(C)=C2[C@](C)(O)C1=CC(=O)[C@@H](C)CCCCCCO 14696193 BJRVUWKADRHSIV-RCDICMHDSA-N 390.476 3.113 0 1 GGAF biogenic Cc1c2c(n3c1CNCCCCNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O 71296555 LAXQKYDCHHCCKI-UHFFFAOYSA-N 394.519 3.335 0 1 GGAF COc1ccc(-n2c(=O)[nH]c3c(=O)oc4ccc(-c5cccnc5)cc4c32)cc1 210283938 MFVQQJFSEBQHRH-UHFFFAOYSA-N 385.379 3.496 0 1 GGAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2)C1 82133315 WSPNPRXVUDQVIE-CALCHBBNSA-N 380.492 3.098 0 1 GGAF CCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1OC 45315162 HYOOIXPPYXUKSR-UHFFFAOYSA-N 399.495 3.312 0 1 GGAF Cc1c(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(F)ccc2n1CC(=O)O 95559360 URWHPURUWKXBSW-UHFFFAOYSA-N 391.402 3.445 0 1 GGAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)c1nc(-c2ccccc2)c[nH]1 95572047 MPKSCXRJQWSUIH-KXBFYZLASA-N 378.476 3.146 0 1 GGAF COC(=O)c1ccc(Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1 473159654 XMVBONCFTOUODA-UHFFFAOYSA-N 381.453 3.378 0 1 GGAF CC1(C)CC(=O)C[C@]1(C)C1=CC=C(C(=O)OCC[C@@](C)(O)CC(=O)O)CC1 473134947 JZUOBSDSXWOFCX-NHCUHLMSSA-N 378.465 3.187 0 1 GGAF COC(=O)c1ccc2oc(=O)n(CCOc3ccnc4cc(OC)ccc34)c2c1 653737693 AGJSYNQWPMYBLI-UHFFFAOYSA-N 394.383 3.017 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440916 INBWDCIGWZYRCA-HXOBKFHXSA-N 394.423 3.169 0 1 GGAF O=C(NCCc1nc2cc(Br)ncc2[nH]1)OCc1ccccc1 587228534 NOOQYISJXBWVJM-UHFFFAOYSA-N 375.226 3.189 0 1 GGAF COc1cc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ncn1 587779999 XGSICGQLPPVWHG-BTDLBPIBSA-N 380.261 3.379 0 1 GGAF COC(=O)C[C@]1(c2ccc(C(F)(F)F)nc2)CC(=O)c2cc(C)cc(N)c2O1 587381823 HZKIUQCLUXEFMG-SFHVURJKSA-N 394.349 3.415 0 1 GGAF Brc1ccc(Br)c2[nH]c(C[C@@H]3COCCO3)nc12 586910347 OPHXMZJUHTZVPN-SSDOTTSWSA-N 376.048 3.046 0 1 GGAF COc1ccc2c(c1)CC[C@](N)(c1nc3c(F)cnc(Br)c3[nH]1)C2 587247464 SECSNQSFSAYYMV-QGZVFWFLSA-N 391.244 3.211 0 1 GGAF CN(Cc1nc2ccc(C(C)(C)C)nc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169925 KYMFITBBQILFNP-UHFFFAOYSA-N 376.457 3.215 0 1 GGAF CCOc1ccc(C(=O)C[C@@H](C(=O)O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 957719828 YZWNLXPTGQVHDP-GOSISDBHSA-N 394.427 3.314 0 1 GGAF CCCc1noc([C@@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)n1 963174029 AKPGDNPKDZVMMY-DGCLKSJQSA-N 389.761 3.383 0 1 GGAF CCOC(=O)CCC[C@]1(c2ccccc2OC(C)=O)NCCc2c(C)ccnc21 963071835 LMQYIIVLQNDPMN-HSZRJFAPSA-N 396.487 3.438 0 1 GGAF Cc1cc(=O)oc2cc(NC(=O)COc3ccc(-n4ccnc4)cc3)ccc12 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3.311 0 1 GGAF Cc1ncc(-c2ccn(C)c(=O)c2)c(OC[C@H]2C[C@@H]2c2ccc(Cl)cn2)n1 209428256 YCVQFIHEJZVWBI-ZBFHGGJFSA-N 382.851 3.382 0 1 GGAF COC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@@H]4CCC[C@@]15c1cc[nH]c1C[C@]3(C)[C@@]245 2356292215 FCBMLMGOGOOCQL-PUYPCPGMSA-N 383.488 3.187 0 1 GGAF C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccc(Cl)nc2n1)c1ncc(F)cn1 103260257 KKRWFGBMTXVZCB-VIFPVBQESA-N 399.821 3.258 0 1 GGAF CCCCCC=CC[C@@H](O)C=CC=CC=C[C@H](O)CCCC(=O)NCCO 2356534488 DQLVVNIINUTUIU-RTWAWAEBSA-N 379.541 3.182 0 1 GGAF C[C@](O)(C(=O)Nc1cccc(C(=O)N2CCCCC2)c1Cl)C(F)(F)F 26380105 NLHSXYGKBUOFPL-HNNXBMFYSA-N 378.778 3.218 0 1 GGAF CN1C(=O)[C@]2(SC[C@H]3C(=O)N(C4CCC(C)(C)CC4)C(=O)N32)c2ccccc21 66259000 KVBGMLCLLFGKEN-HRAATJIYSA-N 399.516 3.164 0 1 GGAF C[S@](=O)C[C@H]1[C@H]2CC[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]3C2)[C@@H]1O 34430704 RSTMEZAVUUMLEO-MHTDZZFBSA-N 382.566 3.449 0 1 GGAF Nc1ccc(S(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1 72171810 OVLRRNWUEGAUDW-UHFFFAOYSA-N 381.457 3.423 0 1 GGAF Cc1noc(C)c1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 225037525 HRXGNZAMYDNJEP-UHFFFAOYSA-N 381.417 3.097 0 1 GGAF C[C@H](NC1=NC(=O)[C@](C)(c2ccc(CC(N)=O)cc2)S1)c1ccc(F)cc1 40379476 ZEEXJIISUUERJX-YUNKPMOVSA-N 385.464 3.049 0 1 GGAF O=C1OCCN1CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 143444557 ZVEXAPZRWVWGBG-SFHVURJKSA-N 379.334 3.296 0 1 GGAF O=C(CNC(=O)c1ccc(-c2cnco2)cc1)N[C@@H]1CCCc2ccccc21 148871365 RSIRXLMZUSFWLF-LJQANCHMSA-N 375.428 3.265 0 1 GGAF CC(C)[C@]1(O)CC[C@@]2(CO1)[C@H]1CCC3=C4[C@@H](CC3)[C@@H](C(=O)O)C[C@]42CN(C)C1 238775210 FYMJJUNOXPGERO-YRPZOVBESA-N 389.536 3.281 0 1 GGAF CN[C@H]1CC[C@H](Nc2ncc(C(N)=O)n3cc(-c4ccc(Cl)cc4)nc23)CC1 261145833 NVNJXYOVWGMPAO-SHTZXODSSA-N 398.898 3.091 0 1 GGAF COc1ccc(/C=C/c2nc3ccccc3c(=O)n2CCN(C)C)cc1OC 299861371 KXZMQAVOXVNJMW-ZRDIBKRKSA-N 379.460 3.146 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3ccccc3OC2=O)N1 587843132 SACRBEUNOIKARX-MLCYQJTMSA-N 376.225 3.479 0 1 GGAF CS(=O)(=O)[C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586993913 LUOLWCNEWVKCSZ-LLVKDONJSA-N 379.437 3.054 0 1 GGAF Cc1c(-c2nc3cc(C(=O)N(C)C)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029288 LLVMHDMLDUWDFT-UHFFFAOYSA-N 393.472 3.414 0 1 GGAF COc1ncc(F)c(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587655468 ILYRWHLTFUFMGC-UHFFFAOYSA-N 384.317 3.269 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2cnn(C)c2)N1 587766460 WJCJQQRHUIZGQB-SQLGAGMBSA-N 393.304 3.175 0 1 GGAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(-n3cnnn3)cc2[nH]1 587201895 YJPUULSSBYFWPJ-UHFFFAOYSA-N 385.472 3.120 0 1 GGAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(CO)cc2[nH]1 587113633 QUUCQGACFQMJKX-SFHVURJKSA-N 377.366 3.474 0 1 GGAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc[nH]c(=N)c3[nH]1)N2 587033008 WYSZGVYFLNFBSP-NJQKBMNKSA-N 386.506 3.497 0 1 GGAF CC(=O)c1cnn(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587764808 RGXIFCQBQMYIQR-VVVCHXIZSA-N 380.261 3.322 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccccn1)CC2=O 587489163 SREZGNPMLWEIPA-JOCHJYFZSA-N 397.427 3.123 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(O)(c3ccc4c(c3)OCO4)CC1)O2 587408048 KSFNLJAJYGJLNH-UHFFFAOYSA-N 381.428 3.472 0 1 GGAF CN(C)S(=O)(=O)c1cccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587079802 HLWXEVHDMNOIBB-AWEZNQCLSA-N 377.853 3.143 0 1 GGAF CCOC(=O)C[C@]1([C@H]2CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619001 VZJKVDRPBUNPJE-SFGWALBWSA-N 398.411 3.225 0 1 GGAF C[C@]1(c2cccc(Br)n2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963233279 UDNQXCZGMDXXQC-KXBFYZLASA-N 398.260 3.255 0 1 GGAF Cc1cccc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CC4)CC3)c2)n1 1772649401 KVJVTYRLRPBDAS-UHFFFAOYSA-N 392.503 3.133 0 1 GGAF COc1ccc(CN2CCC(N3CCC(C(=O)NC(C)C)CC3)CC2)cc1C 11844612 KRLFTTMMKSDKNP-UHFFFAOYSA-N 387.568 3.205 0 1 GGAF CN(C)C[C@@H](O)COc1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1 13537848 WPZUVTPBEBLLBI-GOSISDBHSA-N 379.464 3.265 0 1 GGAF C[C@@](O)(C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1Cl)C(F)(F)F 13557246 FTHARYIKZCDUSU-OAHLLOKOSA-N 378.778 3.218 0 1 GGAF CCOC(=O)[C@]1(C)N[C@H](c2ccc(O)cc2)c2c1c(O)n(-c1ccccc1)c2O 169690073 ZYFJGXGUXWEZIS-XMSQKQJNSA-N 394.427 3.065 0 1 GGAF CC1=C2C(=NC(=O)C[C@H]2c2ccc(NC(=O)Nc3cccc(C)c3)cc2)NN1 207268468 FRIXDVCUSGTPAF-KRWDZBQOSA-N 375.432 3.433 0 1 GGAF COc1ccc(CN=c2[nH]c(N3CCCC[C@H]3CO)nc3ccccc23)cc1 1857557460 LIVKGIJCKAQZRN-KRWDZBQOSA-N 378.476 3.024 0 1 GGAF COc1ccc(CCN=c2[nH]c(N3CCCC[C@@H]3CO)nc3ccccc23)cc1 1857584072 WNPGUJQGPANLDT-GOSISDBHSA-N 392.503 3.066 0 1 GGAF CCOC(=O)C1=C(CSC2=NCCS2)N(C)C(=O)N[C@H]1c1ccccc1 1857771615 SOZZSVHRIKTFCK-HNNXBMFYSA-N 391.518 3.036 0 1 GGAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4055663 NCEBJRKNCXEJCS-NTDBWNAOSA-N 388.851 3.445 0 1 GGAF O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccccc1 117295403 FFBZQZXSTZLCDJ-KOUNCHBCSA-N 394.515 3.124 0 1 GGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ncccc4-c4ccccc4)C[C@H]3C2)n1 116826646 DBSXIIPDJNLICY-BGYRXZFFSA-N 399.498 3.364 0 1 GGAF COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc1ccn(C(F)F)c(=O)c1 64549101 RNMRGHIWLVUBOE-UHFFFAOYSA-N 376.359 3.191 0 1 GGAF Cc1nc(C)c(-c2cc(O)nc(-c3ccc(CN4CC[C@@H](O)C4)cc3)n2)s1 23506179 NYVNWIFAGADMFG-MRXNPFEDSA-N 382.489 3.156 0 1 GGAF COc1cc2c3c(c1OC(C)=O)[C@]1(C=C[C@@H](OC(C)=O)CC1)C[C@@H]3N(C)CC2 2356469429 NDNMVOQTUROVEV-JLHGSKIFSA-N 385.460 3.073 0 1 GGAF CC(=O)OC[C@](O)([C@H](O)CO)[C@@H]1C[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]32C)C1 2356602889 OVDONPAXHCFZKS-FCQXETTBSA-N 396.568 3.293 0 1 GGAF CC(=O)O[C@@H]1[C@H](O)[C@@H]2[C@H](C)c3ccoc3C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@]12O 2356614005 DVJYNSFOWSNODP-GVUBFRPMSA-N 376.493 3.425 0 1 GGAF CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](Cc4occc4[C@@H]3C)[C@@]12C 34612741 UAUZSKBZFMNDSP-SBCRORLOSA-N 376.493 3.425 0 1 GGAF biogenic,in-vitro CN(C)C(=O)n1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21 36331872 CZRZQPDXGBNRCC-LPHOPBHVSA-N 380.473 3.153 0 1 GGAF Cn1cc(-c2cc3c(cn2)cnn3-c2cccc([C@@]3(F)CCCNCC3)n2)cn1 216483902 ATMGNNLRUXSWJM-OAQYLSRUSA-N 391.454 3.154 0 1 GGAF Cc1cccc2c1c(Cc1nn(CCC(=O)O)c(=O)c3ccccc13)cn2C 139813232 SRWLFOUYCJTYKD-UHFFFAOYSA-N 375.428 3.262 0 1 GGAF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCCSC 82218477 JCOYQEFUOAOZJB-XPQOJOKPSA-N 390.549 3.008 0 1 GGAF COC(=O)c1c[nH]c2ccc(NC(=O)CNC(=O)Nc3ccc(C)cc3)cc12 95578187 SICLTBCZTJNFIN-UHFFFAOYSA-N 380.404 3.023 0 1 GGAF COC(=O)[C@H]1[C@@H](O)CC[C@@]2(C)CN3CCc4c([nH]c5ccccc45)[C@@]3(C)C[C@H]12 238762872 FLJIHEZYIPIYQV-DDLMAITCSA-N 382.504 3.211 0 1 GGAF COC(=O)c1cc(OC)c(C)c2c1Oc1c(C=O)c(OC)cc(C)c1C(=O)O2 35017832 JJTNOTYQCHYAPF-UHFFFAOYSA-N 386.356 3.245 0 1 GGAF biogenic Cc1nc(O)nc(S)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610807 DXZZOLWTZFRDSC-MGPUTAFESA-N 396.424 3.362 0 1 GGAF Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnc2ncnn12 587798788 WDKWGOULTRJNNY-XLFHBGCDSA-N 390.260 3.132 0 1 GGAF Cn1cc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587582402 PHDYCLUWERLKPC-UTKZUKDTSA-N 388.383 3.219 0 1 GGAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@@H]1[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]2[C@@H]5C2(OCCO2)[C@H]41 587536877 XUERYGKXJUQRQG-XDRIZSBWSA-N 390.479 3.400 0 1 GGAF COc1ccc(OC)c(NC(=O)C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587433828 XEVXIYAGTLCDNZ-IVZQSRNASA-N 397.427 3.247 0 1 GGAF CN(C)CCCNS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587217366 VIMYNDCKANEJHL-UHFFFAOYSA-N 395.528 3.230 0 1 GGAF C[C@@]1(c2ccc(C(=O)O)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585803 GLUUCSVUGNAAFZ-UTKZUKDTSA-N 377.352 3.362 0 1 GGAF O=C(O)CCN(CCc1nc2cc(C(F)(F)F)cnc2[nH]1)Cc1ccccc1 587193996 WINDVNRGHGLCHJ-UHFFFAOYSA-N 392.381 3.496 0 1 GGAF COc1cc2c3c(c1)O[C@H]([C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587435284 FCXJTYNOPZMSPJ-IYOUNJFTSA-N 389.448 3.183 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2cc(N(C)C)ccc21 587485007 HXOHOSRIIKVGIK-JOCHJYFZSA-N 380.444 3.248 0 1 GGAF C[C@@]1(c2ncc(C(=O)O)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613027 NCQHUQHJUPZOAM-AUUYWEPGSA-N 383.381 3.424 0 1 GGAF COc1cccc(C(=O)c2cc(I)ccc2NC(C)=O)c1 957661851 IHCGBVDRVJLKJI-UHFFFAOYSA-N 395.196 3.489 0 1 GGAF CC(=O)[C@@H]1C(=O)N2CCc3cccc(c32)[C@@]12c1ccc(F)cc1C[C@@H]1CCCN12 963094064 LBXKTSUJAWCWBB-VNZMSGEBSA-N 390.458 3.198 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(OC[C@@H]4CCCO4)cc3)c3cccc1c32 963033108 PNDIUFYVPOIGSK-QSAZIKIQSA-N 378.472 3.387 0 1 GGAF Cc1cc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c(C)n1C[C@@H]1CCCO1 962927208 DZTBOJCJAJRNDW-SIKLNZKXSA-N 381.520 3.221 0 1 GGAF CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)CN2CCCCC2=O)C1 12314578 RXIZALUYZUWLNG-GOSISDBHSA-N 398.482 3.154 0 3 GGAF CCc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1 13449326 GTKMLSMARUAOQQ-UHFFFAOYSA-N 380.536 3.032 0 1 GGAF O=C1c2ccccc2S(=O)(=O)N1CCCCN1CC[C@H](c2ccccc2)C1 13913408 YRBNPVDPNYJOMH-SFHVURJKSA-N 384.501 3.101 0 1 GGAF O=C(Nc1ccccc1)c1ccc(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 169291304 XZZJIUFSZHCKSM-UQOPEDAQSA-N 398.462 3.492 0 1 GGAF O=C(CN1CCC[C@@H](c2ccccc2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 1857587665 LJIUZOIBJFVUCF-DHIUTWEWSA-N 377.532 3.257 0 1 GGAF CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 763078 CDORGXDCRLFQKY-SFHVURJKSA-N 397.475 3.238 0 1 GGAF CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)c1ccco1 4546723 UHIBVKMQCGHNAF-MSOLQXFVSA-N 394.512 3.002 0 1 GGAF CNC(=O)c1ccc(OC)c(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)c1 28526022 PGEHQMRAHVLIDD-UHFFFAOYSA-N 396.230 3.324 0 1 GGAF COc1ccc2c3c(c(=O)oc2c1)CN(CCN1CC2CCC(CC2)C1)CC3 27738290 HLZZSNSYFWQGQO-UHFFFAOYSA-N 382.504 3.282 0 1 GGAF C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(Cl)c2)CC1 22941486 YWFAGVAANFJWKQ-QGZVFWFLSA-N 383.923 3.435 0 1 GGAF COCCN/C=C1\C(=O)N(C)c2c(Cl)cccc2N(c2ccccc2)C1=O 66263061 PYNMQHBDKFMGEV-FYWRMAATSA-N 385.851 3.101 0 1 GGAF CCOC(=O)Cc1cc(O)cc(O)c1C(=O)CCCC[C@H](CC)OC(C)=O 2356822630 FXMOPLANHSGUCS-INIZCTEOSA-N 380.437 3.288 0 1 GGAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@@H]3CNC(=S)Nc2ccccc2)CC1 2356862320 UZGFHHVXUWOXQU-QKNQBKEWSA-N 386.609 3.415 0 1 GGAF CNc1nc2[nH]c(-c3cccc(CNC(=O)C(C)(C)C)n3)cc2c2c1ncn2C 73165167 ULUIYARCIBFFCG-UHFFFAOYSA-N 391.479 3.216 0 1 GGAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3nc(C(=O)O)co3)c2F)cn1 224547668 FWCIYTOBIUKXQT-UHFFFAOYSA-N 384.367 3.398 0 1 GGAF CC1=N[C@]2(C[C@@H]([C@H]3CCCOC3)Oc3ccc(Br)cc32)N=C1N 261149380 ONKRKKQEVGYQDK-XNJJOIOASA-N 378.270 3.011 0 1 GGAF COc1cccc(NC(=O)c2c(NCCO)cc(-c3cccs3)oc2=O)c1 473154280 GCSTUCIRFPVPDW-UHFFFAOYSA-N 386.429 3.033 0 1 GGAF COCCCNC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657589 AIGXJULKSONGNO-UHFFFAOYSA-N 389.427 3.101 0 1 GGAF CCOC(=O)C[C@@]1(c2n[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440655 PTUIOWVPCXWPII-IVZQSRNASA-N 392.411 3.168 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn3c(=O)ccnc23)N1 587790164 HZRLPZKASHSEEF-DYZYQPBXSA-N 388.240 3.220 0 1 GGAF Cc1c(Cl)ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 586942052 GGFUWAISEQJOTP-UHFFFAOYSA-N 385.276 3.094 0 1 GGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586917156 QZZJWAHCUKLUFR-YWZLYKJASA-N 384.457 3.183 0 1 GGAF O=C(c1cc(C(F)(F)F)n[nH]1)c1c(CO)oc2cc(Br)cnc12 587275997 INNAWKOUZONZHC-UHFFFAOYSA-N 390.115 3.056 0 1 GGAF CCCc1nc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)nn1-c1ccccc1F 587155010 IGHOOAUWDRPVMA-UHFFFAOYSA-N 392.394 3.233 0 1 GGAF C[C@@]1(CC(=O)c2ccccc2O)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963236949 SWZLBAPDNVEVCU-GCJKJVERSA-N 376.412 3.028 0 1 GGAF Cc1ccc2ncc([C@H]3N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)n2c1 962967586 BKUDUWFNCVEVPW-SJKOYZFVSA-N 377.778 3.263 0 1 GGAF COc1cc2c(cc1OC)[C@@H](c1cnc(C)o1)N(C(=O)c1ccccc1N)CC2 963138287 GFXWJTAURLMZCA-NRFANRHFSA-N 393.443 3.370 0 1 GGAF COc1ccc2c(c1OC)[C@@H](c1ccc3nccnc3c1)NCC21CCOCC1 963187608 ISRBJKQZOXTXOF-OAQYLSRUSA-N 391.471 3.388 0 1 GGAF COc1cccc2c1OCC(C(=O)NCc1ncc(-c3ccc(F)cc3)[nH]1)=C2 1772654539 RAJDZTMOAFQUGY-UHFFFAOYSA-N 379.391 3.317 0 1 GGAF CCOc1ccccc1CN1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1 12091483 LYRIHPKJGGBAIJ-UHFFFAOYSA-N 385.552 3.040 0 3 GGAF O=c1c2c([nH]c3ccccc13)[C@H](c1ccc3c(c1)CCO3)N(c1ncccn1)C2 13491042 DTTHOWQLCVTQCM-NRFANRHFSA-N 382.423 3.363 0 1 GGAF Cc1noc(C)c1S(=O)(=O)Nc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1 13607612 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GGAF O=C(NN1C(=O)CCS[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccncc1 84616618 VXXCSKWYAZTBDG-MRXNPFEDSA-N 381.379 3.410 0 1 GGAF COc1ccc(OC)c(CCNc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc2C)c1 82204230 PEESMYKDONUFNZ-HOTGVXAUSA-N 386.496 3.070 0 1 GGAF Nc1ccccc1NC(=O)c1ccc(NCC(=O)OCc2cccnc2)cc1 40897269 TVMRSZYLJBAPSH-UHFFFAOYSA-N 376.416 3.071 0 1 GGAF CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)s3)c(-c3ccco3)n2)CC1 82165741 HINLUCCOJQUBSU-UHFFFAOYSA-N 383.477 3.145 0 1 GGAF O=C(Nc1ccccc1)c1ccc(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 253761613 XZZJIUFSZHCKSM-YVZLVKDNSA-N 398.462 3.492 0 1 GGAF COC(=O)c1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1OC 587116532 GHYKXCNKMXPORU-UHFFFAOYSA-N 388.733 3.431 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](O)c1ccccc1 587867885 PSVGSQWLULHPTC-MRXNPFEDSA-N 377.322 3.346 0 1 GGAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2nc(Br)c[nH]c-2n1 586915456 DGFVAUJBORQWGH-PIGZYNQJSA-N 387.237 3.283 0 1 GGAF CC(=O)Nc1ccc([C@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587387192 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CCCCCOc1cc2nc(C[C@@H](O)CC(=O)O)[nH]c2cc1Br 586891076 QDRDVGCPHRUEJV-SNVBAGLBSA-N 385.258 3.273 0 1 GGAF Cc1cnn(CCF)c1[C@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962717955 RETXUFKEIZZIBB-KBPBESRZSA-N 389.324 3.007 0 1 GGAF COc1cccc2c3c(cnc12)CCN[C@@H]3[C@H]1COCCN1C(=O)OC(C)(C)C 963029326 CDVXDVPGGVKXBP-OXQOHEQNSA-N 399.491 3.066 0 1 GGAF CN1CCc2c(Br)cccc2[C@]12C(=O)Nc1cc(F)cc(F)c12 963278389 AVCGXNLZASHFFT-KRWDZBQOSA-N 379.204 3.411 0 1 GGAF COc1ccc2c(c1)[C@H]([C@@H](CCO)NC(=O)OC(C)(C)C)N(C(C)C)CC2 962093667 SVRWFJAJBWZQRY-RTBURBONSA-N 378.513 3.279 0 1 GGAF COc1ccc([C@@H]2[C@H](C(=O)N3CCCC3)CC(=O)N2C(=O)c2ccccc2)cc1 206025402 NVZPAXWNFWTYDG-TZIWHRDSSA-N 392.455 3.048 0 3 GGAF COc1cc2c(c(OC)c1OC)-c1ccc(C(=O)O)cc1[C@@H](NC(C)=O)CC2 1598899 ZAIRUODZMPTJLF-INIZCTEOSA-N 385.416 3.201 0 3 GGAF O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NC1CCCCCC1 2601714 UMWXELKTSXPJGR-UHFFFAOYSA-N 377.510 3.151 0 1 GGAF CC[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C[C@H]1N 3817106 IQKHLHYETXNABO-IAQYHMDHSA-N 389.883 3.252 0 1 GGAF CCNC[C@@H]1CC[C@H](c2c(F)cc3c(=O)c(C(=O)O)cn(CC)c3c2F)C1 29412013 ZNCAVKIBLSJIPL-NEPJUHHUSA-N 378.419 3.491 0 1 GGAF O=S(=O)(NCc1ccccn1)c1ccc(-c2cc(C(F)(F)F)no2)s1 20580803 AIVMNIJPFJHZJY-UHFFFAOYSA-N 389.380 3.295 0 1 GGAF CCCc1c(OCc2ccc(C(=O)O)cc2OC)ccc(C(=O)N(C)C)c1O 27899205 WYALAWSOJXPROX-UHFFFAOYSA-N 387.432 3.332 0 1 GGAF O=C(Nc1ccccc1)c1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc1 195150728 XZZJIUFSZHCKSM-OBHIHTNZSA-N 398.462 3.492 0 1 GGAF CC(C)CCNC(=O)[C@H](C)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1 145975605 DERFIIKIOBAIAV-CQSZACIVSA-N 385.464 3.124 0 1 GGAF COc1ccc(-c2cc3ncccc3c(OCC[C@@H]3CNC(=O)C3)n2)cc1OC 141928015 VPVGELGUYJYJSZ-AWEZNQCLSA-N 393.443 3.219 0 1 GGAF O=C(c1cc(CO)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCCC1 143503613 ZCRRVQBUWKXZQM-LJQANCHMSA-N 377.362 3.194 0 1 GGAF O=C(c1ccc(OCCc2ccccc2)cc1)N1CCN(c2ncccn2)CC1 299826493 HNGOEZIXQROMGA-UHFFFAOYSA-N 388.471 3.061 0 1 GGAF CC1(n2nnc3c2CC[C@H](c2nc(-c4ccc(F)cc4)no2)C3)CCOCC1 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Clc1ccc2c(NCCCNc3nccc(N4CCOCC4)n3)ccnc2c1 103260188 UKKFLYHONPPYGO-UHFFFAOYSA-N 398.898 3.429 0 1 GGAF O=C(c1ccc2c(c1)OCO2)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccnc2)cc1 100106123 MTIAETLFQSQLEY-JHDGKUDLSA-N 399.450 3.057 0 1 GGAF COC(=O)[C@H](Cc1cn(CCCc2ccccc2)c2ccccc12)NC(C)=O 64453641 ZXLVQIJEBZHIJH-NRFANRHFSA-N 378.472 3.494 0 1 GGAF CCCCOC(=O)c1c(N)cccc1C=C[C@H](O)[C@@H](C)OC(=O)c1ccco1 2356608422 OQSXRPBCVKZSHQ-PBHICJAKSA-N 387.432 3.438 0 1 GGAF O=C(O)CCC[C@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1ccc(F)cc1)[C@@H]23 72182903 WGOMMSCZOPIXAH-KRQVXIAISA-N 388.483 3.396 0 1 GGAF O=S(=O)(Nc1cccc(OCc2cnc3ccccc3n2)c1)C(F)(F)F 40505146 RFQHIFNSTGGKEW-UHFFFAOYSA-N 383.351 3.470 0 1 GGAF CSc1[nH]nc(NC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1 40762837 CACIKPKEDXYLDG-UHFFFAOYSA-N 379.488 3.278 0 1 GGAF O=C1N(c2ccccc2)c2nc(-c3ccccc3)n3c(=O)[nH]nc3c2[C@H]2CCCN12 45255542 RZXKOEKWWWZGLD-MRXNPFEDSA-N 398.426 3.493 0 1 GGAF Cc1cccc(C)c1CNc1cc(-n2cnc(CO)n2)cn2c(C)c(C)nc12 40957284 YUXJYSUSUASGKW-UHFFFAOYSA-N 376.464 3.253 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cnc(OC4CCC4)nc3)C2)cc1 261156447 QBOBTQPCIDWCRW-YCRPNKLZSA-N 396.491 3.263 0 1 GGAF CC(C)C[C@@H]1C(=O)N([C@H](Cc2ccccc2)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 473199270 YVDGEXSSVKMMEG-ZCNNSNEGSA-N 395.455 3.203 0 1 GGAF Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1cccc(Cl)c1 299838812 VYOPDPRTNVHTEV-UHFFFAOYSA-N 394.818 3.018 0 1 GGAF CNC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 473245296 XJTVSGOKUNGCSK-UKIBHBBISA-N 398.547 3.386 0 1 GGAF CC(=O)c1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1 586954470 BQYJOSOKFDCWKN-UHFFFAOYSA-N 389.864 3.480 0 1 GGAF Cc1ccc2c3c(c4c(nc13)[C@@H]1CN[C@H](C(=O)O)[C@H]1CC4)-c1ccccc1C2=O 587096461 KAWLVSMHLAZJJR-GZOOOWMASA-N 384.435 3.457 0 1 GGAF CC[C@@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1cc(Br)cn1 587650791 DZFOVDBTJCXPAD-ZDUSSCGKSA-N 395.644 3.300 0 1 GGAF O=C(Nc1nc(Cc2nc3ccc(CCO)cc3[nH]2)cs1)c1cccc(O)c1 587020149 YVLMYBRYYIIPSI-UHFFFAOYSA-N 394.456 3.103 0 1 GGAF Cc1csc([C@@](O)(Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)C(F)(F)F)n1 587095194 YXRBMQRQYVXMSG-INIZCTEOSA-N 398.410 3.022 0 1 GGAF C[C@H](CCC(=O)O)Cc1nc2c(I)cnc(Cl)c2[nH]1 587963412 VKOJLSIOQPIUNM-ZCFIWIBFSA-N 393.612 3.259 0 1 GGAF CCS(=O)(=O)Nc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587450236 SCYCNGHGOVOCDK-OXQOHEQNSA-N 387.457 3.120 0 1 GGAF O=C([C@@H]1Cc2ccccc2[C@@H](c2cccc(Cn3cncn3)c2)N1)C(F)(F)F 962703458 BWWIQHKEIMYJQI-ZWKOTPCHSA-N 386.377 3.062 0 1 GGAF CC(C)Oc1cc2c(-c3cc(N4[C@H]5CC[C@H]4COC5)ncn3)n[nH]c2cc1F 1772619601 WJMWMDQNTASDCI-STQMWFEESA-N 383.427 3.314 0 1 GGAF O=C(O)C[C@@](O)(CC(=O)CCCCCc1ccc(Cl)cc1Cl)C(=O)O 13758174 MQMYPPFSSSYPDG-KRWDZBQOSA-N 391.247 3.346 0 1 GGAF CC(=O)Nc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 13832037 IQWQLCSIWVDVFC-UHFFFAOYSA-N 391.471 3.229 0 1 GGAF CCCCCC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 169342288 NTMSESUVSZGDEE-LNVVDLBQSA-N 383.488 3.006 0 1 GGAF CCOC(=O)[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 169695417 NHFDXXPQLBEGNA-SJORKVTESA-N 399.468 3.104 0 1 GGAF Fc1ccc(-c2n[nH]c3ccc(-c4nnc(CN5CCOCC5)o4)cc23)cc1 164791727 IKOKMDUDBGZXKN-UHFFFAOYSA-N 379.395 3.251 0 1 GGAF O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)NOCc1ccccc1 1857535255 ZVBBGBMNUVATJW-YBEGLDIGSA-N 386.404 3.110 0 1 GGAF CC1=C[C@H](CNC(=O)C2CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356459168 BCUHBXVRZKQSQX-RCCFBDPRSA-N 397.523 3.393 0 1 GGAF CCc1nn(CCCC(=O)Nc2cccc(OC)c2)c(=O)c2cc3occc3n12 6807409 RKYDPXGTZHCFAX-UHFFFAOYSA-N 394.431 3.232 0 1 GGAF COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCOc2ccccc21 7005479 GQBBDPIXRPIRML-UHFFFAOYSA-N 386.429 3.246 0 3 GGAF CCCN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 20492418 WLDVXGQQLZAQFT-PMACEKPBSA-N 397.544 3.213 0 1 GGAF CC[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12 28569751 RWUQUOUNNCHFDU-SECBINFHSA-N 397.476 3.422 0 1 GGAF N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)=C(O)O 100388587 STTXIFQWFZDSLB-KRWDZBQOSA-N 390.443 3.163 0 1 GGAF endogenous,in-vitro O=C(O)[C@H]1Cc2ccccc2C[C@@H]1S(=O)(=O)c1ccc(Br)cc1 28330641 HALKBQWLGHJJBL-HOTGVXAUSA-N 395.274 3.091 0 1 GGAF Cc1cc(/C=C/C(=O)O)ccc1NC(=O)c1cccc(NC2=NCCCN2)c1 29247907 LDHLQPMIUKAPSY-VQHVLOKHSA-N 378.432 3.106 0 1 GGAF O=S(=O)(c1cccc(C(F)(F)F)c1)c1cn([C@H]2CCNC2)c2ncccc12 28862200 ZCQPOBYGONRNAP-ZDUSSCGKSA-N 395.406 3.422 0 1 GGAF O=C(Nc1ccc(Cn2cnc3nc[nH]c(=O)c32)cc1)c1ccc(Cl)cc1 27192544 NJHCGUDGPGIMGL-UHFFFAOYSA-N 379.807 3.074 0 1 GGAF O[C@@H]1CC[C@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@H]1CNCc1cccnc1 2356747298 IDVOYRWTCIABCF-SJBKTWHCSA-N 397.450 3.117 0 1 GGAF CN(C)CCNC(=O)Cc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12 27865460 KGTPKFJHRWDQLJ-UHFFFAOYSA-N 383.879 3.069 0 1 GGAF O=C(c1cnc(NC2CCCCC2)nc1-c1ccc(F)cc1)N1CCOCC1 82136318 XGWZIDFPDGQNCW-UHFFFAOYSA-N 384.455 3.500 0 1 GGAF CC(=O)NCc1cccc(-c2cc(=O)n(C[C@@H]3CCCNC3)c3ccccc23)c1 95590934 DQDBUGTUCPVHGY-LJQANCHMSA-N 389.499 3.304 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cnc3c1OCCO3)O2 587372042 NTXFNPHHNBATIE-ZDUSSCGKSA-N 391.221 3.212 0 1 GGAF CC(C)CCOc1cc2nc(C[C@H](O)CC(=O)O)[nH]c2cc1Br 586891999 RTEWHYXJNIXKNQ-JTQLQIEISA-N 385.258 3.128 0 1 GGAF CC(C)CCOc1cc2nc(C[C@@H](O)CC(=O)O)[nH]c2cc1Br 586892012 RTEWHYXJNIXKNQ-SNVBAGLBSA-N 385.258 3.128 0 1 GGAF O=C([C@@H]1Cc2ccccc2[C@@H](c2ccc(Sc3nc[nH]n3)o2)N1)C(F)(F)F 962729666 IXTFDYXSSPVQAD-FZMZJTMJSA-N 394.378 3.284 0 1 GGAF Cc1nc(Cl)c([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(Cl)n1 963230215 LXXZJIPJFWNJMP-UKRRQHHQSA-N 389.242 3.328 0 1 GGAF CC(=O)Nc1ccc2c(c1)CC[C@]21N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962732317 ZMCBEENFIDZZHW-AZUAARDMSA-N 388.389 3.481 0 1 GGAF C[C@]1(c2cnn3ccccc23)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962648705 WSWXIVIDYAEKTQ-PKTZIBPZSA-N 386.455 3.245 0 1 GGAF COC(=O)CCn1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21 13737492 OSAORANEDDGJPR-UWJYYQICSA-N 395.484 3.186 0 1 GGAF Cc1ccc(N2CC(=O)N(S(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1C 13763632 FZZIIAUJWUWYCF-UHFFFAOYSA-N 378.837 3.114 0 1 GGAF O=C(Nc1ccc2cn[nH]c2c1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 169188769 BCOHTGHHTRYZRQ-UHFFFAOYSA-N 399.454 3.368 0 1 GGAF O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 165867721 KYMDMEIHRSBWLD-LJQANCHMSA-N 383.423 3.282 0 1 GGAF c1cc(-c2ccc3ncnc(N=c4cncc[nH]4)c3c2)cc(N2CCOCC2)c1 1857631854 YHXNFZYBRBERBZ-UHFFFAOYSA-N 384.443 3.089 0 1 GGAF CC(C)(C)CC(=O)N[C@@H]1[C@H](c2cccs2)N(C(=O)C2CCC2)CC[C@]1(C)O 2356298262 GQWGXRCXLHMSJV-UEXGIBASSA-N 392.565 3.494 0 1 GGAF COC(=O)[C@@H]1[C@H](c2cccc(I)c2)C[C@H]2CC[C@H]1N2C 100754892 XUBVUMLIQBPHGD-LXTVHRRPSA-N 385.245 3.031 0 1 GGAF CS(=O)(=O)Cc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114336434 CWXOVADRAJYZRV-HXUWFJFHSA-N 398.532 3.184 0 1 GGAF COc1ccc([C@H]2OC(c3ccc(N(C)C)cc3)=NN2C(C)=O)c(OC)c1OC 27518618 OBRPHHUADXKYNX-OAQYLSRUSA-N 399.447 3.018 0 1 GGAF Cc1cc(=O)n(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)[nH]1 64527604 MFWUDHUPLAILMZ-UHFFFAOYSA-N 390.395 3.286 0 1 GGAF COC(=O)[C@@H]1C[C@@H](F)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 64540253 MPJYQVPXSUIDAH-GKRPYSMHSA-N 392.423 3.407 0 1 GGAF Cc1cccc(Nc2ncnc3ccncc23)c1NCCCN1CCN(C)CC1 29133584 QRUARRFEABCHAH-UHFFFAOYSA-N 391.523 3.126 0 1 GGAF CC(=O)Nc1nc(O)c2cc(S(=O)(=O)c3ccc4ccccc4c3)ccc2n1 25968700 BPXGIAJMQYBYNA-UHFFFAOYSA-N 393.424 3.280 0 1 GGAF COc1ccc2[nH]c(C(=O)NCCCCC(=O)Nc3ccccc3N)cc2c1 117587104 LGDYOLRJOVYEME-UHFFFAOYSA-N 380.448 3.298 0 1 GGAF c1cc2c(N3CCCCC3)cc(N3CCOCC3)nc2nc1N1CCCCC1 32037616 UCXXVIORGHVXNS-UHFFFAOYSA-N 381.524 3.447 0 1 GGAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C/c2ccc(Br)cc2)C(=O)O1 40845513 WYFMKVGGWKOZAZ-RUEYPURISA-N 397.265 3.100 0 1 GGAF O=c1c(NCC2CC2)c2n(c(=O)n1CC1CCCCC1)[C@@H](c1ccccc1)CN2 82209509 NFMBITANBIAGTE-LJQANCHMSA-N 394.519 3.427 0 1 GGAF Cc1ccc(-c2n[nH]cc2CN2CCC(N3CCC[C@@H](CO)C3)CC2)cc1C 46159500 YZYQGUMSMDUEFA-LJQANCHMSA-N 382.552 3.362 0 1 GGAF CC(=O)Cc1nsc(N(Cc2ccc3c(c2)OCO3)Cc2ccccn2)n1 82051937 WIGVFDHQAKXSJN-UHFFFAOYSA-N 382.445 3.000 0 1 GGAF CC(C)[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(C)(=O)=O 95572545 YKKXAJDQMUZDKP-LLVKDONJSA-N 378.928 3.142 0 1 GGAF O=C(c1cccs1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccnc2)c1=O 25427506 IUYCAZCOHHWZQS-ZBFHGGJFSA-N 377.469 3.231 0 1 GGAF biogenic Cn1c2c(c3cc(S(=O)(=O)c4cncc(Cl)c4)ccc31)[C@@H]1CC[C@H](C2)N1 96175166 IWIPFHPMQACIHG-WBMJQRKESA-N 387.892 3.409 0 1 GGAF COc1cc(/C=C/C(=O)OCCCn2nnc3ccccc32)cc(OC)c1OC 653751531 IYGKDDRFRYXZTI-MDZDMXLPSA-N 397.431 3.104 0 1 GGAF N[C@H](Cc1nc2cccc(C(=O)O)c2[nH]1)c1ccc(Br)cc1F 587144313 LPVHRVXSYLTUAA-GFCCVEGCSA-N 378.201 3.405 0 1 GGAF COc1ccc([C@@]2(CO)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587805914 GQLRWYHKIYFSLQ-ADLMAVQZSA-N 380.257 3.367 0 1 GGAF COC(=O)c1cc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2cc1OC 587040592 IFROGEKBPLFAEN-AEFFLSMTSA-N 383.473 3.304 0 1 GGAF COc1ncnc(OC)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587776213 CBIWPICKVCLISI-CLAHSXSESA-N 382.233 3.019 0 1 GGAF CSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(=N)[nH]1 587611080 FFEFLJBGWYJECI-PBHICJAKSA-N 381.413 3.020 0 1 GGAF COc1cc(N)c(I)cc1-c1nc2cncc(C)c2[nH]1 587178440 BWKYETBJJOVYIU-UHFFFAOYSA-N 380.189 3.129 0 1 GGAF CS(=O)(=O)c1ccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)o1 962709558 OIUXIZZCVHJBMI-KZULUSFZSA-N 381.494 3.275 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@](C)(c1ncc(F)cc1Br)NCC2 962922693 GMTBWAKPYREIIT-GOSISDBHSA-N 392.272 3.094 0 1 GGAF Cc1cccc(Cl)c1Nc1nc2ccc(N(C)CCO)nc2n2cncc12 13582096 PABRSIHGWZNAAQ-UHFFFAOYSA-N 382.855 3.411 0 1 GGAF O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CNc1ccccc1 13805709 LVILSLBAZNNJIT-SSSFQFABSA-N 393.524 3.023 0 1 GGAF Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc(C(=O)NC3CC3)c2N)cc1 1857631456 NLFBMZHFQLRNFN-UHFFFAOYSA-N 395.484 3.175 0 1 GGAF CCCCCCC(=O)CCCCCC/C=C/CC[C@@H](O)[C@@](N)(CO)C(=O)O 3824073 CYGFHEVFZXDUGH-ANXGTHGUSA-N 385.545 3.338 0 1 GGAF CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CCOCC2)cc1 4051351 MOFQPBJLCHSQHM-TZIWHRDSSA-N 380.444 3.036 0 1 GGAF CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4206521 FXGUTGXNRGUPSS-HKUYNNGSSA-N 389.883 3.483 0 1 GGAF O=C(Nc1ccccn1)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 103303030 LMNKFRDAYYFGDY-UHFFFAOYSA-N 382.330 3.040 0 1 GGAF O=C(c1cccc(F)c1)N1CCOC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 2356298827 DWOCJQVELYUZQF-HNNXBMFYSA-N 384.329 3.160 0 1 GGAF N=C(N)Nc1cccc(C(=O)Nc2ccc(/C=C/C(=O)O)cc2C(F)(F)F)c1 29250122 WRZKNUVHODECFW-FNORWQNLSA-N 392.337 3.361 0 1 GGAF CN(C(=O)CNC(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1ccccc1 28330603 WYVUIGGBLROEHN-OAQYLSRUSA-N 395.503 3.208 0 1 GGAF O=C(NCCN1CCCC1)c1ccc(Nc2ncc(Br)s2)cc1 34987723 DMIBSRUIECZFKG-UHFFFAOYSA-N 395.326 3.475 0 1 GGAF COC(=O)c1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Br)c2)cc1 45302693 OOCOXCZDAWGKBU-ACJLOTCBSA-N 392.293 3.490 0 1 GGAF O=C([C@@H]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1)N1C[C@H]2COC[C@@H]2C1 1911583052 MYFCONVOQBKWQJ-AGIUHOORSA-N 388.817 3.290 0 1 GGAF O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4ccccc4)c3)c2[nH]1 45387966 NMEXSFUPMAPOEA-UHFFFAOYSA-N 381.413 3.449 0 1 GGAF Cc1ccncc1S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccnc2)cc1 225953043 RFXLTMZJSCZWEJ-RUDMXATFSA-N 379.441 3.270 0 1 GGAF COc1c(C)cc(Nc2nccc(-n3cc(C)c(CN4CC(O)C4)c3)n2)cc1C 144034061 RONFVMXRUVHNQN-UHFFFAOYSA-N 393.491 3.121 0 1 GGAF O=C(O)[C@@H]1CCN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 143488353 JKJOCKUIDIZEAJ-BLVKFPJESA-N 391.345 3.012 0 1 GGAF CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(CC)C(=O)c1cccc(F)c1 95895981 IEPBIIJIEGXQRE-VWPQPMDRSA-N 398.478 3.053 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(=O)NCc1ccco1 587862212 HSTFHYUICXIMDT-UHFFFAOYSA-N 393.321 3.127 0 1 GGAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3c(O)nc(S)nc3[nH]2)c1 586914428 INMGFJVNQCVCKA-UHFFFAOYSA-N 380.385 3.116 0 1 GGAF COc1cc(Br)c([C@@H](N)c2nc3c(C)nc(C)cc3[nH]2)cc1OC 586977179 YUUSHVDQQXPIFH-OAHLLOKOSA-N 391.269 3.403 0 1 GGAF COCCCn1nccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578624 ATWAWTOSKUZKQN-RXVVDRJESA-N 380.400 3.328 0 1 GGAF CC(C)(C)c1ccc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2n1 587204361 XCKMMQMLZHUBMR-OAHLLOKOSA-N 396.447 3.178 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cncc(I)c1)O2 587386148 ILCUBJKUNCBILG-CQSZACIVSA-N 380.185 3.283 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(I)s1)O2 587387994 YHKWSMHFQPPQNV-JTQLQIEISA-N 386.214 3.345 0 1 GGAF CCOC(=O)C[C@@]1(c2ccncc2)c2cc(OC)ccc2CCN1CCCOC 961327194 UGCXXOBIPFPYCT-HSZRJFAPSA-N 398.503 3.182 0 1 GGAF Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C[C@H]1C 1772620937 KPGWYYYJUFBVGB-SJKOYZFVSA-N 397.928 3.311 0 1 GGAF CCOC(=O)c1cnn2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c12 13863616 HZVQDNHDCAXRJP-UHFFFAOYSA-N 398.894 3.487 0 1 GGAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 14952184 JQYLIGHHVGCTPR-OAPZCEPQSA-N 384.520 3.495 0 1 GGAF C[C@H](N=c1c(C(N)=O)c[nH]c2ccc(-c3cccnc3)cc12)C1CCOCC1 1857597683 YKRXSAOWHZYRRL-AWEZNQCLSA-N 376.460 3.045 0 1 GGAF Cc1cn2c(-c3cn[nH]c3)cnc2c(=Nc2cc(Cc3cccnc3)ns2)[nH]1 1857756815 FQYLBTSEQZTPPO-UHFFFAOYSA-N 388.460 3.036 0 1 GGAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCCN1CCCC1=O 2483523 HITYPOABDIAFLU-UHFFFAOYSA-N 399.491 3.390 0 1 GGAF CCOC(=O)C1CCN(C(=O)c2cc3c(=O)oc4ccccc4c3s2)CC1 4875662 XRWIVJZEYOCKLK-UHFFFAOYSA-N 385.441 3.423 0 1 GGAF CCOC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)CC2 28826615 BYWWWBVBUHYGJN-UHFFFAOYSA-N 383.231 3.333 0 1 GGAF COc1cc2c(cc1F)[C@]1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21 103200098 VKUBDXJMQPXASM-JOCHJYFZSA-N 376.387 3.455 0 1 GGAF CN(C)C(=O)c1cc2cnc(Nc3ccccn3)nc2n1C1CCC(C)(O)CC1 117729405 UADKZURQLTUCOQ-UHFFFAOYSA-N 394.479 3.138 0 1 GGAF O=C1NC(=O)C(=C(/C=C/c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)C(=O)N1 103183810 UQBILQKYXJRTNS-JXMROGBWSA-N 392.802 3.049 0 1 GGAF CCCNC(=O)c1c(NC(=O)C23C[C@@H]4CC2C[C@H](C4)C3)sc2c1CCNC2 101500844 BWGIYWVDKHISHC-QOLVUUTGSA-N 387.549 3.298 0 1 GGAF CCOC(=O)N1[C@@H]2CC[C@@H]1CC(N1CCC[C@@H](NC(=O)c3ccccc3C)C1)C2 101505596 AJSHPFXXSLQSKN-GUDVDZBRSA-N 399.535 3.341 0 1 GGAF COc1ccc(N2C[C@H](CN3CCC(O)(c4ccsc4)CC3)OC2=O)cc1 29413698 HKVZHPSRFDVDKW-SFHVURJKSA-N 388.489 3.066 0 1 GGAF O=C(c1cccnc1)n1c(-c2ccc(S(=O)(=O)O)cc2)nc2ccccc21 66260267 ATMHSAHYCHVITQ-UHFFFAOYSA-N 379.397 3.034 0 1 GGAF CC1(C)C=CCCC=CC(=O)O[C@H]2C[C@@H](CC1)O[C@](O)([C@H]1CSC(=O)N1)C2 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O=C1[C@H](F)CCCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857644610 HGOQBSRIJKOSDE-WMLDXEAASA-N 376.378 3.394 0 1 GGAF CN1CCc2c(OCC(=O)N3CCC(Cc4ccccc4)CC3)cccc2C1=O 2716249 RPEXBIVEEQHAMA-UHFFFAOYSA-N 392.499 3.175 0 3 GGAF O=C(NCc1ccccc1)[C@@H](c1cccs1)N(C(=O)c1csnn1)C1CC1 4399729 RZLUNFHGFORIID-QGZVFWFLSA-N 398.513 3.262 0 3 GGAF CN(C)CCNC(=O)c1cn(C2CCCCC2)c(=O)c2c1c1ccccc1n2C 4904924 UTCWNDKCEQFAJX-UHFFFAOYSA-N 394.519 3.290 0 1 GGAF N=c1c2cc(-c3ccc(Br)cc3)n(-c3ccccc3)c2ncn1N 102260877 SSIUPJPWEIBRIV-UHFFFAOYSA-N 380.249 3.450 0 1 GGAF COc1cc(-c2cnc(N)c(-c3ccc(C(=O)O)cc3)n2)cc(OC)c1OC 58650700 JOVBKEMPKRSFDQ-UHFFFAOYSA-N 381.388 3.117 0 1 GGAF in-vitro COc1cc(Cl)ccc1C(=O)CCCCN1CCC2(CC1)NC(=O)N=C2O 26647280 WOOAYNPKPFXBJH-UHFFFAOYSA-N 393.871 3.216 0 1 GGAF NCC1(CC(=O)OCCCCOC(=O)CC2(CN)CCCCC2)CCCCC1 26571785 KAHLTNGOMFKTDQ-UHFFFAOYSA-N 396.572 3.452 0 1 GGAF COc1ccccc1N1CCN(C[C@H](O)c2ccc(Br)cc2)CC1 103464792 FTPBHKKENSELJJ-SFHVURJKSA-N 391.309 3.313 0 1 GGAF 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IVOOYXBCWBXCJN-GOSISDBHSA-N 385.464 3.391 0 1 GGAF CN(CC(=O)OCCc1ccccn1)C(=O)c1csc(Nc2ccccc2)n1 82085860 JRJRRKUPBPDGBJ-UHFFFAOYSA-N 396.472 3.140 0 1 GGAF CCCCCC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195047208 NTMSESUVSZGDEE-ZNUUXCMQSA-N 383.488 3.006 0 1 GGAF CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)NCc3ccccc3)C(=O)[C@@H]21 253676395 DXHRWRQLRWGVBH-APAFKAMOSA-N 397.544 3.035 0 1 GGAF COc1ccc(C[C@@H](C)c2nc3nc(Br)c[nH]c-3n2)cc1OC 587926745 OWDZDTZFBGEYTK-SECBINFHSA-N 377.242 3.430 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(OC(F)(F)F)cccc21 587384296 ZTFDERCSFBGREW-KRWDZBQOSA-N 378.306 3.289 0 1 GGAF Cc1cnc(Cl)c2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c12 587127435 UTVKCQKVPLNMNO-UHFFFAOYSA-N 376.747 3.275 0 1 GGAF CS(=O)(=O)[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587361261 SPRFRGMDCTXHNN-HBFSDRIKSA-N 390.432 3.226 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cccn1S(=O)(=O)c1ccccc1)[C@@H](C2)C3=O 587447743 FEXAZSRYJQWASF-KKSFZXQISA-N 395.436 3.222 0 1 GGAF CCOC(=O)COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587398498 DKMARDLRIWKCFX-GOSISDBHSA-N 385.416 3.234 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1ccccc12 587770393 QGAPLESZHAMBIY-MLCYQJTMSA-N 375.241 3.342 0 1 GGAF COC(=O)c1cc2[nH]c([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2cc1OC 587173531 CXEVANVGEJGCKY-HXUWFJFHSA-N 384.363 3.126 0 1 GGAF COc1cc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cnc1Cl 962972383 UQGYSIOIOFIMMS-IINYFYTJSA-N 389.185 3.364 0 1 GGAF CNc1ncc([C@@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)s1 962626370 BIUFPCIKRZQTHY-WOJBJXKFSA-N 382.489 3.095 0 1 GGAF COc1ccc(S(=O)(=O)N2CCC(=CC#Cc3cccc(C)n3)CC2)cc1 141097659 ZMSMHRWTKJCWBW-UHFFFAOYSA-N 382.485 3.161 0 1 GGAF CN1C(O)=C(C(=O)Nc2ccc(Cl)cc2)c2cc(Cl)ccc2S1(=O)=O 13605517 INOBCEASFHTIOW-UHFFFAOYSA-N 399.255 3.493 0 1 GGAF Oc1nc2c(c3nc(-c4ccccc4F)nn13)CN(Cc1ccccc1)CC2 13824512 WOADCIGDSMORGH-UHFFFAOYSA-N 375.407 3.194 0 1 GGAF CCOC(=O)CCc1c(C(=O)OCC)[nH]c(/C=C2\NC(=O)C(C)=C2CC)c1C 6040969 QHLGEWFJGYRRAC-BOPFTXTBSA-N 388.464 3.193 0 1 GGAF CC(C)[C@H](CO)NCc1nc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1F 204422012 KWVYFSHNXHJHSE-BEFAXECRSA-N 395.519 3.442 0 1 GGAF COCCCn1cc(C)c2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21 204336031 KAOWRVPTFDFKCN-VGOFRKELSA-N 399.535 3.027 0 1 GGAF Cc1c(C(=O)NC2CC2)oc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc12 2459698 XAWJBSNRRLNNLR-GFCCVEGCSA-N 376.478 3.054 0 1 GGAF Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)cc1 1857551716 WTDXONBSQHCAGP-FXAWDEMLSA-N 396.441 3.241 0 1 GGAF Cc1[nH]c2ccccc2c1CCNC(=O)c1cnc(Nc2cccc(O)n2)nc1 1857554967 BWXGPOZRVBPWAJ-UHFFFAOYSA-N 388.431 3.083 0 1 GGAF COc1ccc(-c2cc(Cn3cc(-c4ccc(N)cc4)nn3)on2)cc1OC 1857769012 PWQRIKNGEIOBQY-UHFFFAOYSA-N 377.404 3.248 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@]3(OC)C[C@]12O 2356452624 XNOMSXWCVIAZGH-ZLGPLXALSA-N 378.465 3.042 0 1 GGAF Cc1cc(O)c(C(=O)O)cc1C(=O)OC=Cc1cc2c(O)ccc(O)c2cc1O 2356375598 DMDPGBWTAWPKOU-UHFFFAOYSA-N 396.351 3.497 0 1 GGAF C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1nc2ccccc2[nH]1 7674808 PIINQKJACAIKID-VXLYETTFSA-N 393.266 3.028 0 1 GGAF COc1ccc(-c2nc(C)sc2C(=O)NCCCn2ccnc2)cc1OC 103169068 UDPXPMDEGCNWOC-UHFFFAOYSA-N 386.477 3.152 0 1 GGAF COc1ccc(S(=O)(=O)Oc2ccccc2NC(=O)c2cccnc2)cc1 29405195 NKUJFSLWCJKJPQ-UHFFFAOYSA-N 384.413 3.110 0 1 GGAF NCCCCCCCCCCCCNc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 29559636 NIVSTOPDMRKWBH-AZUAARDMSA-N 394.560 3.185 0 1 GGAF N=C(NCCCc1c[nH]cn1)NCCS[C@H](c1ccccc1)c1ccccn1 29571515 VLKXHVJDQKSHGN-HXUWFJFHSA-N 394.548 3.374 0 1 GGAF CC(=O)NC1CCN(c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)CC1 116232071 VYWWYKKBSKHRBG-UHFFFAOYSA-N 390.443 3.100 0 1 GGAF O=C(CN1CCC(c2cccc[n+]2[O-])CC1)Nc1cccc(C(F)(F)F)c1 35075446 YZQPIPKDFBKFLH-UHFFFAOYSA-N 379.382 3.157 0 1 GGAF CO[C@@H]1CC(=O)[C@@]2(CC(=O)O[C@@H]2/C=C(/C)CCC=C(C)C)C[C@@H]1OC(C)=O 211624451 YGWPHAWAXUILGD-CSXYMTJKSA-N 378.465 3.291 0 1 GGAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(/C=C\I)cc1)N2 36093113 GZWPHROGQGOESZ-KFZXCZATSA-N 397.256 3.489 0 1 GGAF CCOC(=O)c1cc(Cc2cccc(Br)c2)c(=O)n2c1CCC2 224234511 YXFXJWSIDKPURA-UHFFFAOYSA-N 376.250 3.325 0 1 GGAF CS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4cccc(F)c4)cnc3N)nc2c1 45319720 ZSZDKYPBPAXYNW-UHFFFAOYSA-N 382.420 3.417 0 1 GGAF CCOc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](C(C)C)N3)cc1 82206522 GTEUBTSXYHDRER-QGZVFWFLSA-N 386.496 3.052 0 1 GGAF Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)c(C)c2C)n1 224816291 WAMBKEFPMLHJAR-UHFFFAOYSA-N 387.491 3.386 0 1 GGAF CC[C@H](CO)NC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1 141316761 IHBDJLQRENXTKF-QGZVFWFLSA-N 381.432 3.125 0 1 GGAF COc1c(F)cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc1F 141844759 YELDWGRYCRSCOM-DGCLKSJQSA-N 399.397 3.487 0 1 GGAF Nc1ccnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CCO2 261084903 CJEWHTUUJIZSOG-SHTZXODSSA-N 395.459 3.452 0 1 GGAF O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1csnn1 473154749 LFBXLHPMJFDGPK-UHFFFAOYSA-N 384.804 3.244 0 1 GGAF CCn1c([C@H]2CCCN(C(=O)c3cn(C)[nH]c3=N)C2)cc2cc(Cl)ccc21 473134938 DIEDLVNTPMBIMI-ZDUSSCGKSA-N 385.899 3.480 0 1 GGAF COc1ccc2c(c1)CC[C@](N)(c1nc3c(C)c(Br)cnc3[nH]1)C2 587247243 NPLYQRXIQZRDQD-GOSISDBHSA-N 387.281 3.380 0 1 GGAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 587346545 JIGZHWGJTMANNI-KNQAVFIVSA-N 391.354 3.443 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1cc(I)c[nH]1)[C@@H](C2)C3=O 587430246 ZPGMJQYCJKYQPH-ZUZCIYMTSA-N 381.169 3.117 0 1 GGAF Cc1c(Br)cnc2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc12 586924536 ROHMPAUKFCCPHE-FPLPWBNLSA-N 378.251 3.473 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn3c(=O)ccnc23)N1 587790568 IOGFIEXLNBQWGE-BMLIUANNSA-N 388.240 3.220 0 1 GGAF COC(=O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1OC 587042416 TWOTYBPDDOOESN-CVEARBPZSA-N 383.473 3.304 0 1 GGAF CCOC(=O)[C@]1([C@H]2CCCC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798528 OUJPPWSXYJVMCF-KWFDTGPKSA-N 398.272 3.250 0 1 GGAF CCc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450834 GQNPQFWCHHPFEF-QRQCRPRQSA-N 378.380 3.261 0 1 GGAF COc1c([C@@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(O)nc2ccccc12 963035687 SRQKUNYYDDXEGR-NPMABZOXSA-N 389.455 3.266 0 1 GGAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cnc(-c2cnccn2)s1 963063082 ZCCCIKQBGBVXPV-IBGZPJMESA-N 375.457 3.392 0 1 GGAF CNC[C@@H]1CCNc2c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)nn21 1772627142 MLJZZYHKNURLQU-HNNXBMFYSA-N 377.448 3.017 0 1 GGAF O=C(Nc1ccc(C(=O)N2CC[C@@]3(CCNC3)C2)cc1)N1Cc2ccccc2C1 166964626 AMGNKTHRYNHXSV-HSZRJFAPSA-N 390.487 3.060 0 1 GGAF COc1ccc(-c2cnn(C(C)(C)C(=O)NCc3cccnc3)c2)cc1OC 205228073 RWGCQVHUUKMZDD-UHFFFAOYSA-N 380.448 3.014 0 3 GGAF Cc1nc([C@@H]2C[C@H]2c2nc3cc(F)c(F)cc3[nH]2)cc(-n2nc(C)nc2C)n1 205281096 MTCUVANHCYZQST-VXGBXAGGSA-N 381.390 3.408 0 1 GGAF COC(=O)c1cccnc1NC(=O)Nc1cccc2c1[C@H]1CCCCN1C2=O 118086886 HIXHOBYQJQZEPE-OAHLLOKOSA-N 380.404 3.193 0 1 GGAF CC[C@@H](C)NC(=O)CCCn1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O 6944752 VDPFBLGZYKRISG-OAHLLOKOSA-N 395.507 3.202 0 1 GGAF Cc1noc(NS(=O)(=O)c2ccccc2Br)c1Br 26473946 OHDADZJUNZPHRL-UHFFFAOYSA-N 396.060 3.309 0 1 GGAF O=C1O[C@@H]2CN(Cc3cc4ccccc4s3)C[C@@H]2N1CCN1CCCCC1 20205498 FOWSALQTTOEXHQ-RBUKOAKNSA-N 385.533 3.392 0 1 GGAF CC(=O)c1ccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@H]3CN2CCCCC2)cc1 2356531416 YMZFRWZYMJRUJV-KCZVDYSFSA-N 398.551 3.207 0 1 GGAF CC[C@@H]1C(=O)C[C@@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)[C@@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@]12C 2356770454 SCCGQICCMKBLST-KFYSCMEBSA-N 392.536 3.108 0 1 GGAF CCCCOCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2C)C1=O 2102619 CYRGZSURHJNQJD-DNVCBOLYSA-N 383.492 3.031 0 1 GGAF biogenic Cn1cc(-c2ncnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)C3)cn1 219383341 DRDLZCXKLHXILV-UHFFFAOYSA-N 388.258 3.382 0 1 GGAF CC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12 71287380 KQJRNDVRVWKVBC-UHFFFAOYSA-N 392.440 3.400 0 1 GGAF Cc1ccc(N[C@@H]2CCCC[C@H]2Cc2nc3c(C(C)C)n[nH]c3c(=O)[nH]2)nn1 40876527 PMRWYXIODMVINY-UONOGXRCSA-N 381.484 3.081 0 1 GGAF O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1nnc2ncccc21 43201421 ZQUPPOYANWLEHS-UHFFFAOYSA-N 398.470 3.202 0 1 GGAF O=C(CCc1nnc2sc(-c3ccccc3O)nn12)c1nc2ccccc2[nH]1 95591638 LYSOLIKGVLEWEC-UHFFFAOYSA-N 390.428 3.250 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncc(OCC4CC4)cn3)C2)cc1 261129708 KWMMXYZIMLECPL-MGPUTAFESA-N 396.491 3.120 0 1 GGAF CCOC(=O)[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587794123 GANGVFHVNRKRDJ-IJPZITHUSA-N 386.261 3.106 0 1 GGAF C[C@H](O)c1ncc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)s1 587022692 VDFCIISWHJJRDW-LURJTMIESA-N 377.369 3.033 0 1 GGAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cnnc(O)c4[nH]3)cc2)cc1F 587147227 HDTHSKMRYMPZFE-UHFFFAOYSA-N 391.406 3.205 0 1 GGAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc2nncn12 587585718 HEOSPSQWJCEZNE-UWJYYQICSA-N 388.383 3.015 0 1 GGAF COC(=O)[C@H]1CCCc2ccccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587444789 UYAPUMDUORKQRB-PNCHPQGNSA-N 378.424 3.464 0 1 GGAF O=C1C[C@@H]2C[C@]3(C[C@@H]2CN1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 587349739 QNJKYQGFPKQTTK-HMJGNGCJSA-N 381.403 3.175 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3ccccc3OC2=O)N1 587843135 SACRBEUNOIKARX-YPMLDQLKSA-N 376.225 3.479 0 1 GGAF Cc1cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2cc1Br 586939446 OYVVCKGCQYSLRE-UHFFFAOYSA-N 397.298 3.316 0 1 GGAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1CC[C@H]1CCCO1 963155880 ZLDSJOPZXXLWPP-XBFCOCLRSA-N 382.482 3.390 0 1 GGAF CN1C(=O)C[C@H]2CN[C@H](c3cccc(OCCn4ccnc4)c3)c3cccc1c32 963037880 YMODSGMKKASEKN-GAJHUEQPSA-N 388.471 3.105 0 1 GGAF Cc1cc(S(=O)(=O)N2CCC[C@@H](N(C)CCc3ccccn3)C2)c(C)s1 12305455 ZRJMHPJCYCLFBI-GOSISDBHSA-N 393.578 3.088 0 3 GGAF CCCn1c(=O)c2[nH]c(CC34CC5CC(CC(C5)C3)C4)nc2n(CCC)c1=O 12405347 WMOOCJKZZKAZRT-UHFFFAOYSA-N 384.524 3.465 0 1 GGAF COc1cc2c(cc1OC)-c1c(cnn1S(=O)(=O)c1ccc(C)cc1)CC2 169337812 GCEZIMRVYHVUAQ-UHFFFAOYSA-N 384.457 3.211 0 1 GGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](Cc4ccccc4)C[C@H]4[C@@H](C2)N(C)CC[C@]314 169368285 JKQIXBQTODIBRA-YMWNQBDRSA-N 389.495 3.402 0 1 GGAF CNc1nc(Nc2cnn(C[C@@H](C)c3ccn(C)n3)c2C)ncc1C(F)(F)F 205708241 AFFJLGFSIVGORV-SNVBAGLBSA-N 394.405 3.323 0 1 GGAF Cn1c(N2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)nc2ccccc21 4858082 WARNERHWHIOVOU-UHFFFAOYSA-N 393.535 3.374 0 3 GGAF aggregator CCOCCn1cnc2sc(C(=O)Nc3ccc(Cl)cn3)c(C)c2c1=O 2923247 CKMGNCMNNYFSPU-UHFFFAOYSA-N 392.868 3.104 0 1 GGAF CN(CC(=O)O)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1 3815201 GYZRHMIPWQOSOA-UHFFFAOYSA-N 388.225 3.052 0 1 GGAF CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c1 4049324 TWMYJPKVTQAECK-XUEUYAKLSA-N 395.503 3.243 0 1 GGAF O=C(O)C[C@H]1CCN(Cc2ccccn2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356302665 LJCRJVBGLBOGBY-HUUCEWRRSA-N 382.439 3.253 0 1 GGAF CCCCN(CC)C(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 6936400 SARJRSBKKQDXBQ-KRWDZBQOSA-N 398.555 3.418 0 1 GGAF Cc1ccc(CN2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CCO)o1 22939369 PNLUURDRUUZNQH-FQEVSTJZSA-N 380.492 3.047 0 3 GGAF Cc1ccc(CNC[C@]2(O)C[C@@H]3CCC[C@H](C2)N3C(=O)c2ccccc2)nc1 103264127 YJUWOEWVTIRTBQ-IUTQVRIDSA-N 379.504 3.068 0 1 GGAF O=C(O)C[C@H]1CCN(C(=O)c2ccccc2)C[C@H]1Cc1nc2ccccc2[nH]1 2356318053 NFUYRMKHZAPRSK-IAGOWNOFSA-N 377.444 3.359 0 1 GGAF CCCCC[C@@H](O)CC[C@]1(F)[C@@H](C/C=C\CCCC(=O)OC)[C@@H](O)C[C@H]1O 27983180 HQOJGQYUAGMIPU-FVFRQAGZSA-N 388.520 3.447 0 1 GGAF O=C1CC2(CCCC2)CC(=O)N1CCCCNC[C@@H]1COc2ccccc2C1 26018213 ZXXWEZYYAYQNEN-GOSISDBHSA-N 384.520 3.317 0 1 GGAF O=C(O)COc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 114037457 BPRCQSXHYHFFRW-SFHVURJKSA-N 380.448 3.103 0 1 GGAF COc1ccc(C(=O)N2C[C@@H](F)[C@H](OCc3nc4ccc(F)cc4[nH]3)C2)cc1 2356709925 AXXIBYVOSUYYRT-CRAIPNDOSA-N 387.386 3.090 0 1 GGAF Nc1cc(OC(=O)c2cc3ccccc3s2)nn1S(=O)(=O)c1ccccc1 36470714 SYWCUCBXHNDHOU-UHFFFAOYSA-N 399.453 3.136 0 1 GGAF O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)N(Cc2ccccn2)C1 15675119 RYJKEYCHBAKWLB-WBVHZDCISA-N 388.830 3.156 0 1 GGAF biogenic COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3C(=O)O)c2=O)cc1 73309978 BTTUMLDCCQYDFM-UHFFFAOYSA-N 386.791 3.444 0 1 GGAF COc1ccc(C[C@@H]2COC[C@@H]2[C@@H](O)c2ccc(OC)c(OC)c2)cc1OC 14642005 BLUMMWXERGVZBN-JLHGSKIFSA-N 388.460 3.260 0 1 GGAF biogenic COc1cc(C)cc([C@]2(OC)O[C@H](OC)c3c(OC)cc(O)cc32)c1OC 13431302 SVPSBZJHNOEBRN-VQTJNVASSA-N 376.405 3.249 0 1 GGAF biogenic CC[C@@H](C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 224753137 OFYXVJGDRQGTHV-GFCCVEGCSA-N 386.452 3.499 0 1 GGAF CCCCOCCCNC(=O)CN(C)C(=O)c1csc(-c2ccccc2)n1 82073662 SSXIUGILDZYTJH-UHFFFAOYSA-N 389.521 3.205 0 1 GGAF COc1cccc(-c2csc(N[C@@H](Cc3c[nH]cn3)C(=O)NCC(C)C)n2)c1 82192176 RDOOFYHXKHRDDY-KRWDZBQOSA-N 399.520 3.337 0 1 GGAF CCCN1CCN(c2ccc(S(=O)(=O)Oc3cccc(OC)c3)cc2)C1=O 146410801 BEHGTFMCQXKXIM-UHFFFAOYSA-N 390.461 3.115 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 95601281 IMFSULNLOWEARV-SFHVURJKSA-N 375.421 3.061 0 3 GGAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CN(C)C(=O)CC2CC2)cc1 95895783 YSSXVWIIEMOJRT-TVNDYIHASA-N 396.531 3.044 0 1 GGAF Cc1cc(=O)oc2cc(OCCCCN3CCN(c4ccccn4)CC3)ccc12 96929493 FNGTXUBPHNJKKZ-UHFFFAOYSA-N 393.487 3.478 0 1 GGAF COc1ccc2c(=NCCCCCN3CCCC3)[nH]c(N3CCCC3)nc2c1 473112616 FUDKSERSEWWTHS-UHFFFAOYSA-N 383.540 3.339 0 1 GGAF NC(=O)c1ccc(/C=C(/C(=O)N2CC(=O)Nc3ccccc32)c2ccccc2)cc1 473091544 QZCMGVPFEFHFHT-XMHGGMMESA-N 397.434 3.311 0 1 GGAF COC(=O)C(=O)C[C@@]1(c2ccc(Cl)s2)CC(=O)c2cc(C)cc(N)c2O1 587411741 VGKOVKPSFYSCTH-GOSISDBHSA-N 393.848 3.285 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(COc1ccc4ccc(=O)oc4c1)[C@@H](C2)C3=O 587454865 ZABFNNCJQMLGPX-AOMKIAJQSA-N 378.380 3.387 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(C(N)=O)c2)N1 587749695 QBSOILMFYSMNPB-DYBLOJMWSA-N 393.256 3.190 0 1 GGAF NC(=O)c1cccc2nc(-c3cc(I)ccc3F)[nH]c12 587183261 WGBDKMSMQXUJFY-UHFFFAOYSA-N 381.148 3.073 0 1 GGAF COc1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1C 586928934 OPRXZFJQZVIDPE-UHFFFAOYSA-N 379.869 3.354 0 1 GGAF COCCN1C(=O)CC[C@H](c2nc3cncnc3[nH]2)[C@H]1c1ccccc1Cl 587062680 IPFLQEOQEBWYBV-SUMWQHHRSA-N 385.855 3.100 0 1 GGAF CCCc1nc(-c2nc3nc(C(=O)OC)ccc3[nH]2)nn1-c1ccccc1F 587154551 DOUKKPNISMXYJK-UHFFFAOYSA-N 380.383 3.084 0 1 GGAF COC(=O)Cc1cc(OC)n(-c2cc(F)c(Br)cc2F)c1OC 587943839 PWKOPJHEELMBSD-UHFFFAOYSA-N 390.180 3.251 0 1 GGAF COc1ccc([C@@]2(CO)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587806691 IKAFDANOCVJREP-BBATYDOGSA-N 380.257 3.367 0 1 GGAF COC(=O)[C@@H]1SC[C@H](C)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587854587 CYXMURTYDDMSPE-XOZCIVSQSA-N 388.302 3.242 0 1 GGAF CSc1ncc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(=N)[nH]1 587610243 BISAOVXEZBEOLH-QRWLVFNGSA-N 395.440 3.194 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cnccn2)N1 587739486 HKCSGWNDXKFWEZ-AYYCFUHVSA-N 391.288 3.231 0 1 GGAF Cn1cc([C@H](CNC(=O)c2ccccc2Cl)N2CCC(F)(F)CC2)cn1 1772608373 NXADZGZMVGLZCY-INIZCTEOSA-N 382.842 3.276 0 1 GGAF Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21 12405859 ATOXAERIKXFYQV-UHFFFAOYSA-N 399.623 3.233 0 1 GGAF c1ccc(-c2cc(N3CCN(c4ccccn4)CC3)nc(-c3ccccn3)n2)nc1 1503829 VNTOXVZWNWAKLW-UHFFFAOYSA-N 395.470 3.322 0 1 GGAF CCOC(=O)[C@H]1C(C)=Nc2ncnn2[C@@H]1c1cc(Br)ccc1F 2915654 JFNDRVCCNPPIIJ-QWHCGFSZSA-N 381.205 3.054 0 1 GGAF CN1C(=O)c2ccccc2[C@H](C(=O)O)[C@H]1c1cc(Br)ccc1O 4563651 BQQVIKRYUSRIHZ-LSDHHAIUSA-N 376.206 3.150 0 1 GGAF C[C@]1(O)CCN(C(=O)C2CCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 2356289716 YFQWYUMXEBXMGV-JTAQYXEDSA-N 384.520 3.186 0 1 GGAF O=C1Nc2ccc(-c3cnco3)cc2/C1=C\Nc1ccc2c(c1)CS(=O)(=O)C2 103548828 FTQYGMLRLRXBPT-REZTVBANSA-N 393.424 3.175 0 1 GGAF in-vitro CCCN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 20492420 WLDVXGQQLZAQFT-UXHICEINSA-N 397.544 3.213 0 1 GGAF CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@H](C)C(=O)OC)c1 28455365 XWOMGXIUBCJCCF-CYBMUJFWSA-N 399.443 3.028 0 1 GGAF COC(=O)c1cccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1 28398150 KIDVQBGPSXLVGR-UHFFFAOYSA-N 375.363 3.317 0 1 GGAF N[C@H]1CCCN(c2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)C1 113133899 PHNMDUIFDUSSMV-ZDUSSCGKSA-N 377.370 3.222 0 1 GGAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356747248 BYQNPKJKGRJTID-BBWFWOEESA-N 398.507 3.336 0 1 GGAF CCCCC[C@@H](O)/C=C/[C@]1(F)[C@@H](C/C=C\CCCC(=O)OC)[C@@H](O)C[C@H]1O 26015760 SAPVVWIRDUFLIQ-LIAMQHKWSA-N 386.504 3.223 0 1 GGAF COc1ccccc1N1CCN(CCCCN2CCc3ccccc3C2=O)CC1 40918922 UIFXLMHCLOJOQC-UHFFFAOYSA-N 393.531 3.296 0 1 GGAF COc1ccc2nc3c(c(N)c2c1)CC[C@@H]1[C@H]2CCCN4CCC[C@@H](CN31)[C@@H]24 1911571912 DZLOOJWCTFRPSJ-VGOBXOCWSA-N 378.520 3.451 0 1 GGAF NCCC(=O)N[C@H](CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 82157549 DRURBIDZUOAXJB-OAQYLSRUSA-N 375.472 3.245 0 1 GGAF CC(=O)NCCn1c(CC(C)C)nc2c(NCc3ccc(C)cc3)ncnc21 82179294 HCCFGFXYGNZLKP-UHFFFAOYSA-N 380.496 3.081 0 1 GGAF COc1cccc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)C)cc4c3)n2)n1 145300579 YXNXHTILFGDACP-UHFFFAOYSA-N 388.431 3.474 0 1 GGAF CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4ccccc4)cc23)CC[C@@]1(C)O 146132839 NPIRZUMAGGQJIG-XMSQKQJNSA-N 378.476 3.452 0 1 GGAF NC(=O)O[C@@H](CCN1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 95580087 LJPZAYYXKCOXPS-IBGZPJMESA-N 375.419 3.314 0 1 GGAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 586940902 JUAJPZHAZGKLJB-SREVYHEPSA-N 396.394 3.375 0 1 GGAF COc1ccc([C@@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587805024 CUEKHAFRTLFLDN-MLCYQJTMSA-N 394.240 3.459 0 1 GGAF COC(=O)c1cc2[nH]c([C@]3(C)C=C(c4ccccc4F)NO3)nc2cc1OC 587153903 BKIBRADOHUBNJA-FQEVSTJZSA-N 383.379 3.288 0 1 GGAF O=Cc1ccc(OCCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 587566604 VMGZBWRDTLARAU-UHFFFAOYSA-N 398.362 3.290 0 1 GGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 586938971 MCUPGIKVBMPPEY-SECBINFHSA-N 399.398 3.116 0 1 GGAF O=C(CCc1nc2cc(F)c(F)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 587024142 OQSHSLNWTGBJHG-UHFFFAOYSA-N 386.387 3.326 0 1 GGAF FC(F)(F)CSc1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)ccn1 587093021 JHYSCAKXMMGEGI-UHFFFAOYSA-N 377.355 3.255 0 1 GGAF COc1ccc2c(c1OC)[C@H](c1cc[nH]c1)N(C(=O)c1ccccc1N)CC2 963137254 HDZFUWUAGJCGRN-FQEVSTJZSA-N 377.444 3.402 0 1 GGAF CNc1ncc([C@@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)s1 962626360 BIUFPCIKRZQTHY-UXHICEINSA-N 382.489 3.095 0 1 GGAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 13447525 WSTBUYSFCXEAIP-LNRXMEIDSA-N 393.483 3.481 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](CO)c4ccccc4)ncc23)ccn1 205437112 VZNCWYDRVUCASS-GOSISDBHSA-N 388.431 3.183 0 1 GGAF c1ccn(-c2ccnc(Nc3ccc(OCCCN4CCOCC4)cc3)n2)c1 1857539763 KDKPLTWKWJFZFU-UHFFFAOYSA-N 379.464 3.112 0 1 GGAF COc1cc(N=c2[nH]c3cnc(-c4cccnc4)cc3n2C)cc(OC)c1OC 1857590865 UUELZEYGTZRXHH-UHFFFAOYSA-N 391.431 3.222 0 1 GGAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(C(=O)c4ccccc4)nc3)c3c(N)nccn32)C1 100618861 ZPUGNKJOAIMPOL-PAVFIEEWSA-N 399.454 3.233 0 1 GGAF C[C@]12Cc3cn(S(C)(=O)=O)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 26186250 HMABERXDSMXWFO-QPQISGKWSA-N 390.549 3.217 0 1 GGAF C/C=C/C=C\C=C/C(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 215152154 VYUGROORELIDOB-OJDRNENQSA-N 390.520 3.075 0 1 GGAF COc1cc(-c2c(O)cc3c(c2C)[C@@H](c2ccc(O)cc2)CC(=O)O3)oc(=O)c1 13461439 IZLDEMGPMNPSSR-OAHLLOKOSA-N 394.379 3.476 0 1 GGAF biogenic COc1cc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)ccc1O 14436916 POJXBGDWJHNLOI-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)c1nc2ccccc2o1 82064879 AQWRJMYEQYIYEK-IRXDYDNUSA-N 387.480 3.236 0 1 GGAF CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccccc2)[C@@H]1c1ccccc1 43073828 IALMGZYMFZDZKC-FYYLOGMGSA-N 394.471 3.283 0 1 GGAF CCN(CCO)C(=O)c1cc2cccnn2c1-c1ccc(C(F)(F)F)cc1 95557486 KWDPKDVJPUZDNU-UHFFFAOYSA-N 377.366 3.475 0 1 GGAF COc1ccc2c(c1)C[C@](NC(=O)c1cccc(C)c1OC(C)C)(C(=O)O)C2 146719339 ZFNNJCNJQGPLHU-QFIPXVFZSA-N 383.444 3.143 0 1 GGAF CCC(=O)N(C)C[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(C)=O 95895707 MLEPPOVHFJCJLS-FUPPJEDESA-N 384.520 3.188 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CN1C(=O)CCC1=O)(c1ccccc1)CC2=O 587475807 MTUHNHPKPQZTHA-HSZRJFAPSA-N 393.439 3.354 0 1 GGAF COc1ccc([C@@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587810660 UCROHNGREVAHGF-XTZNXHDOSA-N 394.240 3.459 0 1 GGAF COC(=O)[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587370571 GJGAPDHTRVRFPC-SFHVURJKSA-N 390.233 3.373 0 1 GGAF COC1=COC(CO)=C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357212 SYIBJGJMTKNROX-TZIWHRDSSA-N 384.359 3.023 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCOCC4)cc1OC)[C@@H](C2)C3=O 587445615 WWVRCTKFMSJQHW-HTAPYJJXSA-N 381.428 3.029 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1O[C@@H](C)C(=O)O)[C@@H](C2)C3=O 587439044 IWYHFSIQLDDJDM-RBXYMLTMSA-N 384.384 3.044 0 1 GGAF O=C(O)c1ccoc1[C@@H]1N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963180614 MBPRIFJNVSWETI-NWDGAFQWSA-N 389.713 3.338 0 1 GGAF CCc1c(CC2CCCCC2)n(COCc2ccc(C)cc2)c(=O)n(O)c1=O 1772584615 XLTOYWVANQHPRA-UHFFFAOYSA-N 386.492 3.415 0 1 GGAF c1ccc2c(c1)OC[C@@H](CNCC1CCN(c3cccc4c3OCC4)CC1)O2 13799904 CKEHNJZQODAPNT-LJQANCHMSA-N 380.488 3.268 0 1 GGAF Nc1ccc(C2CCCCC2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1 169159429 UOMHIBLQLFRGHE-INIZCTEOSA-N 394.523 3.286 0 1 GGAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1)C1CC1 169697008 SVONVXKDHRPGFI-IZAXUBKRSA-N 396.535 3.425 0 1 GGAF CCO[C@@H](C)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@]12CCN(C)[C@@H]3C5 101483194 YLGFGFSODXCCQV-IHRDPBMDSA-N 397.515 3.038 0 1 GGAF O=C(C1=CC2=N[C@@H](c3ccc(Cl)cc3)C[C@@H](C(F)(F)F)N2N1)N1CCCC1 104010429 JOYYBMUWQZZUAD-HIFRSBDPSA-N 398.816 3.441 0 3 GGAF COc1ccc(CN2C[C@H]3CN(C(=O)c4ccccc4)CCN3C(C)(C)C2)cc1 2356302830 DNPCHBRYNABFQY-NRFANRHFSA-N 393.531 3.116 0 1 GGAF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1cc(OC)cc(OC)c1)[C@@H](C)O2 29391015 UBBZOHLFIFSEKB-SNVBAGLBSA-N 386.408 3.151 0 1 GGAF CC(=CC(=O)OC(CO)CO)CC[C@]1(C)[C@H](C)[C@H](O)C[C@]2(C)C(C)=CCC[C@@H]21 2356629890 SYTMXWLCUXDMOA-HURHVGRMSA-N 394.552 3.379 0 1 GGAF O=C(c1ccnc(Cl)c1)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356697588 VVWCEWOSLHUZFQ-CQSZACIVSA-N 375.787 3.245 0 1 GGAF CC(=O)OC[C@]12C(CO)=CCC[C@@H]1[C@](C)(CCc1ccoc1)[C@@H](C)C[C@@H]2O 2356780842 GQPHMJWVLFTIQB-AYFIHYEISA-N 376.493 3.497 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@@]2(C)[C@H]3C[C@H](O)[C@@H]2C(C)=O)C1 238753272 XAKNMTJKMPVPIR-PATNUSEFSA-N 392.536 3.108 0 1 GGAF C/C=C(/NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 95578508 XJJHHILXHFZEEP-FQJNFEMKSA-N 398.890 3.484 0 1 GGAF Nc1ccc(C(=O)n2[nH]c(COc3cc(Cl)cc(Cl)c3)cc2=O)cc1 95554079 VYUMRUIUIIIOMP-UHFFFAOYSA-N 378.215 3.333 0 1 GGAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 299878776 JSRMNRTUYSQWLH-TWWGPRNNSA-N 394.471 3.207 0 1 GGAF COc1nc(N2CCC(OC)CC2)nc(OC)c1NC(=O)CCC1CCCC1 473113357 IZNGQGAQYXZWFD-UHFFFAOYSA-N 392.500 3.018 0 1 GGAF O=C(CNC1CC1)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1 653726132 HCQCCMUGSVMGCG-HXUWFJFHSA-N 387.439 3.223 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(CCO)cc3[nH]2)cc1 587041577 YWKKMVYTOUEROS-IBGZPJMESA-N 397.500 3.384 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(CO)cc3[nH]2)cc1 587041553 XMIKPVIMTUQITB-GOSISDBHSA-N 383.473 3.342 0 1 GGAF CCOC(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454542 UHAIWAHQGJFDSN-IVZQSRNASA-N 396.395 3.020 0 1 GGAF Cn1cccc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342188 MBPKFZRNANREKC-GHTZIAJQSA-N 381.359 3.209 0 1 GGAF Cc1nc(O)nc(S)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610799 DXZZOLWTZFRDSC-FOIQADDNSA-N 396.424 3.362 0 1 GGAF CC(C)(SCC(=O)O)c1nc2cccc(I)c2[nH]1 586958986 JUGJHBCXQCXLEZ-UHFFFAOYSA-N 376.219 3.220 0 1 GGAF COC(=O)[C@H]1C(=O)Cc2nc3ccc(O)c4c3c(c2[C@H]1C)-c1ccccc1C4=O 586992717 SHGKGDZUTUARMW-MLCYQJTMSA-N 387.391 3.170 0 1 GGAF CC(C)N1CCC([C@@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)CC1 962642034 QUYICAPBFVSLHO-PBHICJAKSA-N 386.414 3.346 0 1 GGAF CCCNc1ncc([C@H]2NCC3(CCOCC3)c3ccc(OC)c(OC)c32)cn1 963197771 ZVXYJUHRZKBSLD-LJQANCHMSA-N 398.507 3.057 0 1 GGAF CCOC(=O)c1cc([C@]2(C(C)C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c[nH]1 963026081 NFOSIGOWWPSREA-FPTDNZKUSA-N 381.476 3.144 0 1 GGAF CCC[C@H]1[C@@H](OC(=O)N2CCOCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205710744 XDMJXWVTWCCXEW-OEMYIYORSA-N 378.513 3.195 0 3 GGAF CCCc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@H]3C2)cc1 205223902 BAGQRZXXWHEPEV-VQTJNVASSA-N 384.501 3.371 0 3 GGAF COc1ccccc1CCn1c(=O)c(-c2ccc(F)c(F)c2)nc2cncnc21 4238878 RYIOTUNNLPEDRY-UHFFFAOYSA-N 394.381 3.383 0 1 GGAF COc1ccc(-c2nc3cnc(Nc4cccc(OC)c4)nc3n(C)c2=O)cc1 4238971 XZWVZAISHXFDIA-UHFFFAOYSA-N 389.415 3.151 0 1 GGAF aggregator COc1ccccc1S(=O)(=O)N(C)c1ccc2c3c(cccc13)C(=O)N2C 1857572756 KQIAAHGDJAKXAL-UHFFFAOYSA-N 382.441 3.264 0 1 GGAF CCNC(=O)Nc1cc(Nc2ccccc2O)c(C(=O)Nc2cccnc2)cn1 1857614029 GAHLNYQPFMZGDZ-UHFFFAOYSA-N 392.419 3.320 0 1 GGAF COC(=O)c1cc(=O)c2cc(NC(=O)Nc3cccc(C(C)=O)c3)ccc2[nH]1 1857638923 AQIXDEAWBSJKFA-UHFFFAOYSA-N 379.372 3.161 0 1 GGAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cc2ccccc2s1 34083226 BWKPOCVMJRXJGR-UHFFFAOYSA-N 378.453 3.069 0 1 GGAF O=C(c1ccccc1)c1c(O)nc2nc3n(c(=O)c2c1-c1ccccc1)CCC3 2484276 LVHYWLHGNHLLLS-UHFFFAOYSA-N 383.407 3.341 0 1 GGAF Cn1nc(-c2ncccc2OC(F)F)c2ncc(OCc3ccccn3)nc21 103261404 ALTIRUHSTCYURC-UHFFFAOYSA-N 384.346 3.001 0 1 GGAF C[C@@H](SCCCCCCO)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 29244673 LPCPEPISYBNYSK-RDTXWAMCSA-N 385.480 3.119 0 1 GGAF CCOC(=O)[C@@H]1C[C@@]23C=C[C@H]1C[C@]21CCN(C)[C@H]3Cc2ccc(OC)c(O)c21 504778955 GQLLOIMJCNXLAN-ZSAHAYKKSA-N 383.488 3.044 0 1 GGAF biogenic C[C@@H](NC(=O)c1ncn(C)c1C(=O)N[C@H](C)c1ccccc1)c1ccccc1 36388213 UVSLZYYERFLCRI-HZPDHXFCSA-N 376.460 3.402 0 3 GGAF CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2C(=O)[C@H](N)CCSC 36215550 FKRBSIPVULUMDG-HKJQZYRSSA-N 376.566 3.304 0 1 GGAF O=C(N[C@H](COCc1ccccc1)C(=O)O)c1csc(Nc2ccccc2)n1 82085977 FGTQKMROELGBGX-MRXNPFEDSA-N 397.456 3.287 0 1 GGAF CCN(c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)S(C)(=O)=O 224761108 JCZMIPPHRFJHAU-UHFFFAOYSA-N 386.452 3.318 0 1 GGAF NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc(Br)cc1 199710024 JTCRLYKVADWTML-UHFFFAOYSA-N 384.233 3.356 0 3 GGAF CCCNC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(C)=O 95895581 ICLDRKSGEYCSHN-VSKRKVRLSA-N 399.535 3.028 0 1 GGAF O=C(C1CCCC1)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@H]2CO 95864474 FHPYUOXHERBYNW-JQFCIGGWSA-N 379.298 3.315 0 1 GGAF CCCC(=O)c1n[nH]c2cc(NC(=O)N[C@H](COC)c3ccccc3)ncc12 261139938 MXIRPYOHJILKIG-MRXNPFEDSA-N 381.436 3.450 0 1 GGAF Cc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c(N)nc2ccccn12 299871420 YMLOQALDUYCHIU-IBGZPJMESA-N 398.466 3.449 0 1 GGAF COC(=O)[C@]1(/C=C(\C)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346967 CXUJVMGAXJLCCN-CHEXVVPLSA-N 386.375 3.352 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)nc2)N1 587850411 PXPKWAGUSGCWSR-ABKXIKBNSA-N 399.285 3.010 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)C(O)O 587548695 QFBYJJFQXPOSKI-LAUBAEHRSA-N 398.798 3.213 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1ccc(F)cc12 587733395 OFOANQVYBVBFJV-NIVTXAMTSA-N 393.231 3.482 0 1 GGAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cs1 587014788 ZAWOBZCVIYDIAV-AWEZNQCLSA-N 388.453 3.435 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC[C@H]4CO4)c(OC)c1)[C@@H](C2)C3=O 587456734 XUFOIONGVODHSN-ZMPRRUGASA-N 382.412 3.144 0 1 GGAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cncnc3[nH]1)C(=O)OC2 586915018 FOFVROASAUEZCF-NYYWCZLTSA-N 394.431 3.168 0 1 GGAF Cc1nc(=N)[nH]cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335083 KODJGRPJIZPBNS-RXVVDRJESA-N 379.391 3.317 0 1 GGAF CC[C@]1(c2ccc(OCC(=O)O)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587400748 OBIPIPDLTGHSLF-OAQYLSRUSA-N 385.416 3.320 0 1 GGAF CC1(CNc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)COC1 1772570653 ABIHXAXCZROWOV-UHFFFAOYSA-N 391.877 3.185 0 1 GGAF Cc1cc(C(=O)N2CCCn3nc(C(=O)Nc4ccccc4)cc3C2)oc1C 1772612214 UJBVXCJCUONENU-UHFFFAOYSA-N 378.432 3.391 0 1 GGAF COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc4nonc4c3)C2)c(OC)c1 13595017 GGJZUQYTVMQGQC-OAHLLOKOSA-N 381.432 3.335 0 3 GGAF O=C(NC1CC1)C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1 13657257 QHNDUTZOPORLNS-SIKLNZKXSA-N 379.456 3.388 0 3 GGAF CN(C)C(=O)[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](N)C(=O)N1CCCCC1 14947824 ZELLRCGESFMDBO-SFTDATJTSA-N 397.494 3.004 0 1 GGAF COc1ccc(Oc2ncc3nc(CCc4ccccc4)c(=O)n(C)c3n2)cc1 4238341 SBEGJCXHKGNQBB-UHFFFAOYSA-N 388.427 3.310 0 1 GGAF CCOC(=O)N1[C@@H]2CC[C@@H]1CC(N1CCC[C@@H](NC(=O)c3ccccc3)C1)C2 101505624 OHFJWWZZUQRDMV-GUDVDZBRSA-N 385.508 3.033 0 1 GGAF O=C(O)CCNc1c(Br)cccc1Nc1ncnc2ccncc12 29133791 OTZRLGGDSCXPOW-UHFFFAOYSA-N 388.225 3.418 0 1 GGAF CCNC(=O)Nc1nc2cc(-c3cncc(OC)c3)c(=O)n(C(C)C)c2s1 103263659 KPKUEPBKGGGGLV-UHFFFAOYSA-N 387.465 3.251 0 1 GGAF CC(C)S(=O)(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 66112387 UWYCQAWAVUDULH-UHFFFAOYSA-N 393.431 3.030 0 1 GGAF CC(=O)N1CCc2cc([C@@H](O)CN3CCN(c4cccc(Cl)c4)CC3)ccc21 20287277 BFSYVGJVLWPJJX-QFIPXVFZSA-N 399.922 3.105 0 1 GGAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]23)cc(O)c1OC 2356645184 HWUXVEOGRHSOBG-SMHQJORMSA-N 386.400 3.213 0 1 GGAF Oc1cccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)c1 38937327 OUULCVQTKHSXBK-UHFFFAOYSA-N 388.431 3.306 0 1 GGAF O=c1c(/C=C/c2ccccc2Cl)c(N2CCN(Cc3ccsc3)CC2)c1=O 49033742 LOQLESUQPXKYTA-AATRIKPKSA-N 398.915 3.490 0 1 GGAF Cc1oc(S(=O)(=O)N2CCCCC2)cc1N(C)C(=O)Nc1ccccc1 40395423 DQLXFTXMXKHOFK-UHFFFAOYSA-N 377.466 3.431 0 1 GGAF CCCCN(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O 195362954 IEYDGXMDZLYIMH-QCFAMHMHSA-N 380.488 3.013 0 1 GGAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(CC2CCCC2)CC1 95665865 RMHFYAWCYAVNOG-FQEVSTJZSA-N 397.563 3.347 0 1 GGAF COc1ccccc1C(=O)Nc1ccc(Nc2ncnc3[nH]cnc23)c(F)c1 95602878 KOYMZPSFXDXYSS-UHFFFAOYSA-N 378.367 3.497 0 1 GGAF C[C@@]12C[C@@H](OC(=O)c3ccccc3)C[C@@H]3C(=O)O[C@@H](c4ccoc4)[C@@H](OC1=O)[C@@H]32 238760171 GTVVKWIWARQEOM-JAPYSXKMSA-N 396.395 3.061 0 1 GGAF CC(C)NCC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1 653724633 UBROJUQBKFFRKJ-FQEVSTJZSA-N 389.455 3.469 0 1 GGAF COC(=O)CC[C@H](N)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587258246 CLMGZIVRULHMST-QMMMGPOBSA-N 396.163 3.177 0 1 GGAF CCNC(=O)CCc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 587231134 SODSWEUQPVQLHN-UHFFFAOYSA-N 384.411 3.301 0 1 GGAF COC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccc(Cl)cc1 587650202 ZFTSEAMTYPJUCO-UHFFFAOYSA-N 391.832 3.242 0 1 GGAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(N)c(N)cc3F)nc2c1 587135966 IZKMGNFMCKFEOQ-UHFFFAOYSA-N 393.216 3.473 0 1 GGAF O=C(CCc1nc2cncc(Cl)c2[nH]1)Nc1nnc(-c2ccncc2)s1 587024305 UEQBQEYQNXKHDS-UHFFFAOYSA-N 385.840 3.096 0 1 GGAF Cc1nn(C)c(N2CCOCC2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516049 QMGAERLWIDHWBN-IBGZPJMESA-N 381.476 3.150 0 1 GGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)cc1 586950846 NZNRIKJRELJZKO-UHFFFAOYSA-N 377.397 3.217 0 1 GGAF CCOC(=O)[C@@H]1C[C@H]2c3c(nc4cccc5c4c3CC5)CC[C@@H]2CN1C(=O)OC 587212223 MCWGROCEYZCDRL-OGWOLHLISA-N 394.471 3.383 0 1 GGAF C#CCOc1nc(Cl)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl 116962303 HYFSICBVTXPGTM-UHFFFAOYSA-N 392.651 3.250 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCC(C)(O)CC3)c2cn1)c1ccccc1 1772619927 PCIZKAYVYTYCLO-CQSZACIVSA-N 394.479 3.192 0 1 GGAF COc1cc2c(c(OC)c1OC)-c1ccc(C)c(=O)cc1[C@@H](NC(C)=O)CC2 13826202 OMDYBEVVCSGYQW-KRWDZBQOSA-N 383.444 3.171 0 1 GGAF O[C@@H](CNCC1(c2cccs2)CCOCC1)COc1ccc(Cl)cc1 1857761516 AVFVHIJMIJEPPS-INIZCTEOSA-N 381.925 3.479 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CC=C(C)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@@H](OC(C)=O)[C@]21C 2356445392 AIRAUUXPYGGOPL-QTQVVHAZSA-N 390.476 3.350 0 1 GGAF C[C@](O)(c1ccccc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26011148 ALSZSBJXLWUUGS-ZWKOTPCHSA-N 378.259 3.380 0 1 GGAF CSc1nc(N)nc2c1ncn2CC(=O)N[C@H](C)c1cccc2ccccc12 61947343 SXHNKXCPTHKWFG-GFCCVEGCSA-N 392.488 3.161 0 3 GGAF CC(=O)O[C@@]1(C)C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CO[C@@H](O)C1)O2 38253065 PYWYXDQVIHVOOS-VLIPQZQPSA-N 394.508 3.140 0 1 GGAF biogenic,in-vitro CC(=O)Nc1ccc(Cn2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)cc1 34660688 JRBMAZMBQUFLGS-UHFFFAOYSA-N 388.431 3.178 0 1 GGAF FC(F)(F)c1cccc(N2CCN(c3ccc(-c4ncns4)nn3)CC2)c1 38153796 JTNJIRSJTUXAQC-UHFFFAOYSA-N 392.410 3.341 0 1 GGAF Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)O)cc1 71282414 OLVRNGODZLMUKV-UHFFFAOYSA-N 384.451 3.194 0 1 GGAF CCN(CC)CC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(N)cc1 35034036 VHHQBONJUDOHLQ-HSZRJFAPSA-N 397.519 3.102 0 1 GGAF CN(C)CCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72178683 YXHSZZPOIVFHSD-CYBMUJFWSA-N 395.347 3.457 0 1 GGAF C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCCC 82214237 KZZHMYBBWKVXKU-BNZMVHIJSA-N 388.508 3.064 0 1 GGAF O=C(CCN1CCOCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 40977067 CNJUJPOPXDJNPY-UHFFFAOYSA-N 375.538 3.272 0 1 GGAF C[C@@H](NS(C)(=O)=O)c1cncc(N2C(=O)c3ccc(Cl)cc3C2(C)C)c1 1911571097 LXULFFHUCXHBBS-LLVKDONJSA-N 393.896 3.241 0 1 GGAF CCNc1nc(N(C)C[C@H](O)c2ccccc2)nc2cc(OC)c(OC)cc12 82137885 GXNWRKKGZLWIRI-KRWDZBQOSA-N 382.464 3.249 0 1 GGAF O=C(O)CCC/C=C\C[C@@H]1[C@@H]2O[C@H]([C@@H]3O[C@@H]23)[C@@H]1/C=C/[C@@H](O)C1CCCCC1 195042759 BLPTUHHFIMEDBU-YOCAYSIESA-N 376.493 3.466 0 1 GGAF CC(C)[C@H](CCc1ccc(Cl)c(Cl)c1)NC(=O)C1=C(O)C(=O)N(C)C1 141962691 GHDFDEIYNVCALK-HNNXBMFYSA-N 385.291 3.351 0 1 GGAF CC(C)c1ccc(N2C(=O)N[C@H]3CCN(C(=O)c4ccccc4)[C@H]3C2=O)cc1 25411096 CSULCJICBLHNIO-RBUKOAKNSA-N 377.444 3.150 0 1 GGAF biogenic CC(=O)N1CCC(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1 140123651 CDKPAVJAGKPFHR-UHFFFAOYSA-N 387.487 3.355 0 1 GGAF COc1ccc([C@@H]2OC(=O)C[C@@H]2C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1OC 254044079 BICWFCHKXAYWKE-IMGGPBQRSA-N 375.465 3.249 0 3 GGAF Cc1cc(C(=O)N2CCC3(CCN(C(=O)OC(C)C)C3)CC2)cc2c[nH]nc12 473151508 PMRMLBMNKQFKNR-UHFFFAOYSA-N 384.480 3.344 0 1 GGAF COC(=O)c1cc(OC)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1OC 587945429 FAPIYHPIOPCTNS-UHFFFAOYSA-N 390.455 3.343 0 1 GGAF COc1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1OC 587197277 NKXNTJPZTDZRHN-ZDUSSCGKSA-N 391.468 3.496 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1 587384903 KRXUBWXUBSWYBI-OAQYLSRUSA-N 385.391 3.099 0 1 GGAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc([C@@H](N)N=O)cc3[nH]2)C(F)(F)C1 587132845 VVHKFWONODLKGW-GWCFXTLKSA-N 381.383 3.256 0 1 GGAF COc1cc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ncn1 587779998 XGSICGQLPPVWHG-BMLIUANNSA-N 380.261 3.379 0 1 GGAF COC(=O)C1([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC(OC)(OC)C1 587521818 GLMKGUKRQVYUKV-FQEVSTJZSA-N 388.460 3.232 0 1 GGAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587933946 AXGYXZULWUYVFV-UHFFFAOYSA-N 397.500 3.394 0 1 GGAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587112781 NIJXZDUSIUYCNV-NSHDSACASA-N 376.338 3.155 0 1 GGAF COc1nccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587019380 ZAAVPRDVBDZFQN-UHFFFAOYSA-N 380.429 3.452 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(C(C)(C)C)N1 587847644 GRROSWHTRXMVQP-MGPLVRAMSA-N 392.334 3.408 0 1 GGAF CCCc1c(O)ccc2c1O[C@](Cn1cc(C(=O)O)nn1)(C(C)(C)C)CC2=O 587482086 ZCDSPXVTDXUTAC-HXUWFJFHSA-N 387.436 3.085 0 1 GGAF CC(C)N1CCC([C@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)CC1 962642040 QUYICAPBFVSLHO-WMLDXEAASA-N 386.414 3.346 0 1 GGAF Cc1cc2c(cc1O)[C@@](C)(CC(=O)Nc1cccc(Cl)c1)N[C@H](C(=O)O)C2 963513232 ZRBUDRSKNJRONW-OXJNMPFZSA-N 388.851 3.197 0 1 GGAF CC(C)(C)c1ccc(-n2cccc(N3CCc4nc(N)ncc4C3)c2=O)cc1 1772629254 STECEVATXYVFFN-UHFFFAOYSA-N 375.476 3.070 0 1 GGAF COc1ccc(NC(=O)N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)cc1 12472203 WLCJRYRDQZJYPS-GOSISDBHSA-N 381.476 3.298 0 3 GGAF C/C(NNS(=O)(=O)c1ccc(Br)cc1)=C1/C=Nc2ccccc21 15934496 WYWFATDCLBRSGR-RVDMUPIBSA-N 392.278 3.379 0 3 GGAF c1coc(CN2CCN([C@@H](c3cccs3)c3nnnn3C3CCCC3)CC2)c1 19342333 KJGLVQDIKAJMOM-IBGZPJMESA-N 398.536 3.350 0 3 GGAF O=C(O)CS(=O)(=O)c1ccc(OCCCOc2cccc(Cl)c2)cc1 1857652521 DUSZVHNUEUIBPO-UHFFFAOYSA-N 384.837 3.046 0 1 GGAF COC(=O)Sc1nc2cc(-n3nc(C)n(C(F)F)c3=O)c(F)cc2s1 103195449 VSHQJYJNLVGTBL-UHFFFAOYSA-N 390.368 3.345 0 1 GGAF CCn1cc(C(=O)O)c(=O)c2c(N3CCCC3)c(F)c(N3CCCC3)c(F)c21 28759987 UPZXCWYGVSMFOY-UHFFFAOYSA-N 391.418 3.198 0 1 GGAF CN(C)C(=N)c1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1 40425124 OAKKCWNJPPQZPK-UHFFFAOYSA-N 375.411 3.067 0 1 GGAF CCCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cc(-c2nnn[nH]2)ccc1F 84655448 TXDHQDYBYWECCI-UHFFFAOYSA-N 397.410 3.110 0 1 GGAF CN(C)C(=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 587118724 NPGPJTYDCJKTDB-UHFFFAOYSA-N 377.370 3.406 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2cnn(C)c2)N1 587766458 WJCJQQRHUIZGQB-NSHICSFLSA-N 393.304 3.175 0 1 GGAF COC(=O)c1ncccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587772955 PUKAEPRAWSQSPW-PSLIRLAXSA-N 379.229 3.393 0 1 GGAF COc1cc(OC)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 587118323 LRLYKIMUXLAOGJ-UHFFFAOYSA-N 393.325 3.499 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCn3nc(C(=O)O)cc32)N1 587798303 UKFJQDHRBCYVQH-VVVCHXIZSA-N 394.244 3.055 0 1 GGAF Brc1cnc2c(-c3nc4cc(Br)ncc4[nH]3)cnn2c1 587006344 LDJKMHAIZOGUJQ-UHFFFAOYSA-N 394.030 3.193 0 1 GGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(O)c(F)c2F)N1 962959149 DZBXPZVCWVTAHF-VFZGTOFNSA-N 375.705 3.290 0 1 GGAF COc1ccc2c(c1OC)[C@]1(c3ccccc3C(=O)[C@@H]1C(C)=O)N(C)[C@@H](C)C2 962632633 UJGUGWIADJNQPP-CUKRAGERSA-N 379.456 3.225 0 1 GGAF CC(C)(C)CCNC(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc2ccccc2c1 13447223 CVLRHNHCSGVRPR-GOSISDBHSA-N 384.476 3.355 0 1 GGAF CCN1C(NCCCOC(C)C)=N[C@H](c2ccccc2)[C@@H](C(=O)OC)[C@@H]1C 169352531 YDRNLDNTYMCTTD-YTQUADARSA-N 375.513 3.002 0 1 GGAF O=C(C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NC1CCCC1 2938564 MXQYLTMCVZXJBD-INIZCTEOSA-N 396.896 3.402 0 3 GGAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@@H]1c1nccn1C)CCCCC3 1857589314 UNLZEWFVUPKZRX-MRXNPFEDSA-N 382.464 3.028 0 1 GGAF COc1cc(OC)c(-c2cn3ccc(NCCNC(C)=O)cc3n2)cc1Cl 1857594682 MKXGBNSOSGQYHU-UHFFFAOYSA-N 388.855 3.220 0 1 GGAF COC(=O)N1N=C(c2cccc(O)c2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 1857610145 FDIDXHRJEOLVJO-INIZCTEOSA-N 386.404 3.336 0 1 GGAF COc1ccc(CCNC(=O)NC(=O)c2ccc(Br)cc2)cc1 1857649656 MYSORGSZDONHHY-UHFFFAOYSA-N 377.238 3.140 0 1 GGAF CNC1=C(C(=O)OC)[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OC)=C(C)C1 836445 CHQUPJLOBBGZOV-HNNXBMFYSA-N 383.366 3.329 0 1 GGAF C[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC3Cc4ccccc4C3)C[C@H]21 101473507 BEMUQWSSIWHWCT-JKHIJQBDSA-N 396.556 3.292 0 1 GGAF c1cncc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3ccc4c(c3)OCO4)cc2)c1 100107510 MOWVSYWSPRYQKN-RMNGQBEXSA-N 385.467 3.417 0 1 GGAF COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCCN)c2c1C 118793434 STDYDHUHVGJYCB-UHFFFAOYSA-N 376.413 3.007 0 1 GGAF CCOC(=O)COc1cc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c(F)cc1Cl 103208728 SFRFSTUEZLYBAH-PHIMTYICSA-N 383.803 3.101 0 1 GGAF Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(-c3ccc(Cl)cc3)cnc21 27657904 QZVVOBQUUSRGEK-UHFFFAOYSA-N 377.831 3.464 0 1 GGAF COc1ccccc1C(=O)N1C[C@@H]2[C@@H](C1)CN2c1nccc(-c2ccccc2)n1 116824983 JKDJAMNOQDSZFM-FXAWDEMLSA-N 386.455 3.113 0 1 GGAF NC1=N[C@@](c2cc(NC(=O)C3=CCCCC3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 226087882 WLJVGCAUZUWPGH-ZBQZNYHESA-N 379.382 3.458 0 1 GGAF COc1cc2nc(N3CCC(O)CC3)nc(NCCC(C)(C)C)c2cc1OC 82129077 LWXUMVQHQPSQPQ-UHFFFAOYSA-N 388.512 3.456 0 1 GGAF COc1ccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)c(OC)c1 16041838 GOQDEVNFXFQUCY-JOCHJYFZSA-N 391.427 3.425 0 1 GGAF biogenic O=C1NC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 40943130 PANHPCJYUHDCRL-UHFFFAOYSA-N 399.454 3.410 0 1 GGAF CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc(F)cc1 95894114 DRSABBCEBPKDLZ-PWRODBHTSA-N 383.467 3.094 0 1 GGAF CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3c(C3CCCCC3)ccc2=O)CC1 25430480 GHHLXKAWFXFOGW-QUCCMNQESA-N 397.563 3.326 0 1 GGAF biogenic COc1ccc([C@]23OC[C@]24[C@@H]2CO[C@@H](c5cc(OC)c(OC)cc53)[C@H]24)cc1OC 253636457 QNMXTGTWSBDJKC-RMVDANIJSA-N 396.439 3.312 0 1 GGAF O=C1c2ccccc2N2O[C@]3(N4CCOCC4)CCC[C@H]3[C@@]12c1ccccc1 254136824 BLGLJWCTEAFVSH-MZYLBHOOSA-N 376.456 3.359 0 1 GGAF COc1cc(OC)c2c(-c3ccccc3)c(C(=O)C(=O)N3CCOCC3)oc2c1 299870084 VUWXXHSEERXSKQ-UHFFFAOYSA-N 395.411 3.159 0 1 GGAF CCOC(=O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586967458 YGJQPTWLMDGRRH-UHFFFAOYSA-N 381.417 3.477 0 1 GGAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(S(=O)(=O)O)ccc2[nH]1 587151372 YTBNQKXIHHOPKA-UHFFFAOYSA-N 390.371 3.155 0 1 GGAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(O)ncnc4[nH]3)c(F)c2)c1 587148041 YMINIXXMPHHCGN-UHFFFAOYSA-N 380.335 3.238 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2NC(=O)c3ccccc3N2)N1 587792957 IYCZQMSOLXDLJQ-XQJGPMGFSA-N 390.256 3.345 0 1 GGAF CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4cccc5c4c3CC5)C[C@@H]2[C@@H]1C(=O)O 587211687 HTNOMCFECVCQGK-CKFHNAJUSA-N 380.444 3.293 0 1 GGAF C[C@]1(c2nc3cc(Br)ncc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172217 DECMBOOAVKSLHH-MRXNPFEDSA-N 376.185 3.488 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3c(c2)ncn3C)N1 587758544 QOJSMVTZQLLKDU-FVMDXXJSSA-N 375.245 3.494 0 1 GGAF COC(=O)c1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1OC 587156985 QDZOTFFDVKCINQ-FQEVSTJZSA-N 383.379 3.288 0 1 GGAF COC(=O)c1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 587014481 REMFQBZLCKGKCY-UHFFFAOYSA-N 388.449 3.498 0 1 GGAF CNC[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587753265 GYEORQBJKMSRBT-ZMZPIMSZSA-N 379.273 3.291 0 1 GGAF O=S(=O)(c1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1)C(F)(F)F 586905034 XPLBMSZJYMXHSL-DOMZBBRYSA-N 382.363 3.425 0 1 GGAF CN(C)S(=O)(=O)c1ccc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2c1 587021929 RGTSOTIIFSXZER-UHFFFAOYSA-N 399.501 3.016 0 1 GGAF O=C(O)c1ccccc1/C=C\c1nc2cc(I)cnc2[nH]1 586878183 AVOQLNYTGDYHNK-WAYWQWQTSA-N 391.168 3.431 0 1 GGAF Oc1ccc2c(c1)[C@@]1(CCCC=C1NNc1ccc3c(c1)OCCO3)NCC2 963340042 FJSDLTJTCVCJAR-JOCHJYFZSA-N 379.460 3.189 0 1 GGAF Cc1c(O)ccc2c1[C@](C)(C[C@@H](CC(=O)O)c1ccccc1)N[C@H](C(=O)O)C2 963557973 ZBBCHOQYNVVMQQ-JLHGSKIFSA-N 383.444 3.163 0 1 GGAF CC(C)(C)OCc1nc2ccc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nc2[nH]1 1772658095 RJBQYBOQAUDCON-OAHLLOKOSA-N 385.512 3.112 0 1 GGAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(C4CC4)n3)C2)cc1 1772633380 WIJQGQOGWPARPT-HNAYVOBHSA-N 380.492 3.251 0 1 GGAF O=C(NC1CCN(Cc2ccccn2)CC1)[C@@](O)(c1ccccc1)C1CCCC1 13835820 IASYIMACMPYPDM-XMMPIXPASA-N 393.531 3.240 0 1 GGAF O=C(Nc1ncccc1OCc1ccccc1)Nc1cnc2ccccn2c1=O 169313099 WXADIWWDRKIWPJ-UHFFFAOYSA-N 387.399 3.313 0 1 GGAF CNC(=O)CCc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1 203004996 YYZUDSKOQRUJAH-UHFFFAOYSA-N 377.452 3.243 0 1 GGAF COc1cc(Cn2nc(C(=O)O)cc2C)c2nc(N3CC=CCC3)sc2c1 208136246 RGDLHOMASTXERE-UHFFFAOYSA-N 384.461 3.323 0 1 GGAF COc1ccc(F)cc1[C@H](C)NC(=O)N(C)S(=O)(=O)c1ccc(C)cc1 1857750908 UCDHXBFPIXBSKV-ZDUSSCGKSA-N 380.441 3.234 0 1 GGAF COc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1 2348103 JSFAASBRDOCVHH-GOFCXKROSA-N 388.423 3.259 0 1 GGAF O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F 4055234 ULRAOCBHQOOPAD-NVXWUHKLSA-N 397.233 3.333 0 1 GGAF Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)NCc3ccco3)C2)s1 6806149 JSRQNOUGKFPONO-OAHLLOKOSA-N 385.493 3.071 0 1 GGAF O=C1[C@H]2Sc3[nH]c(=O)sc3[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1 104086797 QJKNMDBYTWNCSZ-DZKIICNBSA-N 394.477 3.232 0 1 GGAF CCN[C@H]1C[C@@H]2CC[C@H](C1)N2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 100967144 PRNCBSPDFIBAKQ-XMQYKBBCSA-N 399.466 3.283 0 1 GGAF O=C(Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12)c1ccccc1 28862578 OFDQIHUVLITVFQ-UHFFFAOYSA-N 381.395 3.262 0 1 GGAF COc1ccc([C@@H]2C[C@H]2C(=O)c2ccc(N3CCN(C)CC3)cc2)cc1OC 64549988 DXFCDSRSDOLBIP-VQTJNVASSA-N 380.488 3.442 0 1 GGAF COc1cc([C@@H]2OC(c3cccc(N(C)C)c3)=NN2C(C)=O)cc(OC)c1OC 27518487 WCYKSSISVCSVCU-NRFANRHFSA-N 399.447 3.018 0 1 GGAF CC(C)(C)c1ccc(NC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)cc1 71329998 SAKUEOHMONHMLH-UHFFFAOYSA-N 387.524 3.477 0 1 GGAF Cc1oc(-c2ccccc2)nc1CN1CCC[C@H](C(=O)NCC2CCOCC2)C1 71334324 IWYDBNUCWIIDGW-FQEVSTJZSA-N 397.519 3.405 0 1 GGAF COc1ccc2c(c1OC)CN(C)CCc1cc3c(cc1C(=O)[C@H]2C)OCO3 13408548 YRAXYDGEEARNTF-ZDUSSCGKSA-N 383.444 3.407 0 1 GGAF biogenic O=C(c1cn(CCN2CCOCC2)c2ccccc12)[C@H]1CC(F)(F)C1(F)F 45284240 ZCNIUENUNVHIIZ-OAHLLOKOSA-N 384.373 3.447 0 1 GGAF COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCOC(C)(C)C4)ncn3)c2c1 225559921 ZLGRDRVSGVFUOQ-AWEZNQCLSA-N 397.479 3.049 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4F)cc(O)c31)[C@@H]1CC[C@H](C2)N1 96175349 NJAUOABWSCKCKE-ABAIWWIYSA-N 386.448 3.205 0 1 GGAF CC(=O)c1cc(C)ccc1OC[C@H](O)CN1CCN(c2cccc(C)c2C)CC1 96941809 AFWCFKJAWQPAOA-OAQYLSRUSA-N 396.531 3.376 0 1 GGAF Oc1nc(S)nc2[nH]c(/C=C/c3cccc(I)c3)nc12 587183559 DUUPFZGLOBPYLA-SNAWJCMRSA-N 396.213 3.122 0 1 GGAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc3c(cc2[nH]1)OCCO3 587037967 BJUCJOMNHWIDDM-UHFFFAOYSA-N 375.410 3.200 0 1 GGAF O=C1Cc2nc3nc(O)nc(O)c3cc2[C@H](c2ccc(Cl)c(Cl)c2)C1 587368846 PRFDURUDLUOJGZ-VIFPVBQESA-N 376.199 3.390 0 1 GGAF CCOC(=O)[C@H](C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(C)=O 587593502 DVWPALSLHFVLJM-YBOAYWMSSA-N 398.411 3.271 0 1 GGAF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587119114 YALPSPXRHAVVGP-UHFFFAOYSA-N 398.288 3.276 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cnccn2)N1 587739489 HKCSGWNDXKFWEZ-OGIYSLSUSA-N 391.288 3.231 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(Br)cccc41)[C@@H](C2)C3=O 587417549 NUYKSCATSGKUJV-VOJFVSQTSA-N 386.201 3.053 0 1 GGAF COC(=O)[C@]1(C)CCc2ccccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443300 NVHHHVXHXOLMEJ-MQNAVGNWSA-N 378.424 3.464 0 1 GGAF Cc1ccnn1CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657016 PXZWNBCCYQMGGG-UHFFFAOYSA-N 380.354 3.187 0 1 GGAF COc1ccc(-c2c([C@@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)cnn2C)cc1 963017354 CKMFJVNUEBQNJD-OYHNWAKOSA-N 388.471 3.238 0 1 GGAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H](O)[C@@]4(O)C(C)=O)[C@@H]3CC[C@@H]2C1 169302588 RRDIUAREQABZFO-YOZVSQQVSA-N 392.536 3.252 0 1 GGAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2sc(O)nc2Cl)N1 962696331 KMXPHTRORDJSFH-DTWKUNHWSA-N 396.749 3.348 0 1 GGAF C[C@@H]1CN(Cc2ccccc2)CC[C@@]12NC[C@H]1CC(=O)N(C)c3cccc2c31 963018814 DYWNPRRJIVJCAD-ROMRWMGNSA-N 375.516 3.477 0 1 GGAF COc1cc(C)c(F)cc1-c1cc2c(NCP(=O)(O)O)ncnc2s1 1772605659 VJEDYQYGPXMSQC-UHFFFAOYSA-N 383.341 3.362 0 1 GGAF CCCO[C@H]1CCCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1 12750915 KNMLICYMZXSYHF-AWEZNQCLSA-N 379.844 3.333 0 3 GGAF O=c1c2ccccc2ncn1CCCN1CCN(c2cccc(Cl)c2)CC1 13839364 QRTNQVOGBIPAAV-UHFFFAOYSA-N 382.895 3.262 0 1 GGAF Cc1cc(C)cc(NC(=O)C[C@@H]2CC(=O)N[C@@H](SCc3ccccc3)N2)c1 209083610 VGDALGVCXNQBSG-NQIIRXRSSA-N 383.517 3.327 0 1 GGAF COc1ccc2c(c1)NC(=O)CN2c1ncnc2ccc(Br)cc12 1857539714 SRJLKXWRTDDYPU-UHFFFAOYSA-N 385.221 3.491 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NC[C@@H](O)CC 770446 URGRKJHTNNHKQB-UCLAIMLFSA-N 388.489 3.126 0 1 GGAF CC(=O)Nc1ccc(CNC[C@@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 2356302157 NEBWGRMOUPVKGY-HXUWFJFHSA-N 376.460 3.197 0 1 GGAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCCOC 4049630 PASHBLHEUQRNGC-CTNGQTDRSA-N 382.460 3.330 0 1 GGAF Cc1ccc2nc(Sc3nnc(-c4ccccc4O)o3)c3nnc(N)n3c2c1 103206994 ROUDPHXJCIMTEW-UHFFFAOYSA-N 391.416 3.075 0 1 GGAF Oc1c2c(nn1-c1ccc(Cl)cc1)[C@H]1CN(Cc3ccncc3)CC[C@H]1N=C2 27082923 LDXAQEAQNGTFAB-RBUKOAKNSA-N 393.878 3.417 0 1 GGAF O=C(c1cccs1)N1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccccc1 61923918 YRXBMYFKYAGSLI-QYZOEREBSA-N 394.500 3.406 0 3 GGAF O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)[C@H](CO)NCC3 143553182 IYHSNIDFZNUDRK-HNNXBMFYSA-N 377.849 3.098 0 1 GGAF C=CNC(=O)Nc1nc2cc(-c3cncc(F)c3)cc(-c3ncccn3)c2[nH]1 299840609 VOMQFHPRPGPUNT-UHFFFAOYSA-N 375.367 3.486 0 1 GGAF Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CC(=O)CN3)oc2ccccc12 299821810 MGGBNRRVVQCFRZ-BQYQJAHWSA-N 375.428 3.345 0 1 GGAF Oc1nc(O)c2ccc(CC[C@@](F)(Cl)C(F)(F)Br)nc2n1 587368877 QTQDDFZMKLPDOD-JTQLQIEISA-N 386.555 3.261 0 1 GGAF CS(=O)(=O)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608773 SQZBLEFPZMUOFA-NQIIRXRSSA-N 396.420 3.499 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn3cccnc3n2)N1 587774698 NZLLDZJOCJODQG-BTDLBPIBSA-N 375.245 3.429 0 1 GGAF C[C@]1(c2ccc(C(=O)O)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585802 GLUUCSVUGNAAFZ-LAUBAEHRSA-N 377.352 3.362 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](CCN1C(=O)c3ccccc3C1=O)CC2=O 587477465 RKOMEZJHIFDELX-ZDUSSCGKSA-N 379.412 3.365 0 1 GGAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1 587787810 WYTVJMHSSKZNIJ-RBUKOAKNSA-N 391.471 3.339 0 1 GGAF CC1CCC(NS(=O)(=O)Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)CC1 586953269 QQJLJAXFHDFQLF-UHFFFAOYSA-N 379.379 3.117 0 1 GGAF O=C(O)c1cc(F)cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587149699 QELWTHGDOXJCEC-SNVBAGLBSA-N 389.333 3.195 0 1 GGAF CC(C)(C)c1ccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2n1 586925839 KLRGIIQOAAKSTN-UHFFFAOYSA-N 385.489 3.474 0 1 GGAF CSc1ncc([C@@]2(C)c3cccc(Br)c3CCN2C)c(N)n1 963288490 CARSHQVXPJNYJA-MRXNPFEDSA-N 379.327 3.295 0 1 GGAF COCCCN1CCc2ccc(OC)cc2[C@]12CC[C@H](C(F)(F)F)C[C@@H]2N 961319329 HSNPVCJNNVXJQW-SNRMKQJTSA-N 386.458 3.475 0 1 GGAF COc1ccc(-n2cc([C@@H]3c4c(ccc(OC)c4OC)C[C@H](C)N3C)nn2)cc1 962637443 WWORFWIFQHTGAG-LHSJRXKWSA-N 394.475 3.259 0 1 GGAF Cc1ccc(N[C@H]2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)cc1C 11665192 NLKNIVXRVDRRQF-SFHVURJKSA-N 376.460 3.028 0 3 GGAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@H]12 14952577 GTMOGHHWTKSVCD-YVTWGWGSSA-N 377.506 3.257 0 1 GGAF COc1ccc([C@H]2SC(N)=Nc3c2c(C)nn3C(=O)c2ccccc2O)cc1 17222178 QBIUUJPBCDSNOS-QGZVFWFLSA-N 394.456 3.377 0 1 GGAF CCCCCn1nnnc1[C@](C)(CCCCC(=O)OC)NCc1ccco1 205857973 JGTSNWRVURARHG-IBGZPJMESA-N 377.489 3.195 0 3 GGAF Cc1ccc(CCN=c2[nH]c(N3CCCC[C@H]3CO)nc3ccccc23)cc1 1857543794 JXAZQUJZCBPFPU-IBGZPJMESA-N 376.504 3.366 0 1 GGAF COc1cc(CNc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC 3814852 VYLYXKMAGOPZRD-UHFFFAOYSA-N 389.843 3.086 0 1 GGAF CC(C)(C)C(=O)Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2sccc21 2466770 RKQUEFXSIMVKEZ-UHFFFAOYSA-N 378.400 3.107 0 3 GGAF C[C@@]1(CN)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 3775522 QOAAICZDJBXQGA-IBGZPJMESA-N 393.846 3.002 0 1 GGAF COc1ccc(OC)c(-c2cc(-c3ccc(O)cc3)nc(N3CCOCC3)n2)c1 28530825 IFZURKLAVOPHTE-UHFFFAOYSA-N 393.443 3.370 0 1 GGAF CCOC[C@@H]1C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@H]2C)[C@]31CCCN(C(=N)NC)C1 2356856922 SESVPRDMRMPBES-OOGYSAADSA-N 389.540 3.097 0 1 GGAF O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)N(Cc2ccncc2)C1 15675123 WCAWNCXXICHGBL-WBVHZDCISA-N 388.830 3.156 0 1 GGAF biogenic OC[C@@H]1O[C@H](n2cnc3c(NC4CCCCCCC4)cc(Cl)nc32)C[C@H]1O 40491986 FQYKSUYXQAKFFJ-VYDXJSESSA-N 394.903 3.250 0 1 GGAF CC(=O)O[C@@H]1[C@H](O)[C@@H]2[C@H](Cc3occc3[C@@H]2C)[C@@]2(C)CCCC(C)(C)[C@]12O 199898841 DVJYNSFOWSNODP-YGMBCQGGSA-N 376.493 3.425 0 1 GGAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCc1ccccc1OC 82198590 HVAPQGWQARYBOF-OLRZZNLISA-N 388.508 3.064 0 1 GGAF CC[C@@H](O)[C@H]1CCC[C@H]2[C@@H]3C(=CCCN21)O/C(=C1/OC(=O)C(C)=C1OC)[C@H]3C 238743926 KLADGQYNEYECIT-HRNNGTMRSA-N 389.492 3.239 0 1 GGAF COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2C(C)C)c1 95604056 JMKZXWSWBWVYPQ-LJQANCHMSA-N 393.447 3.017 0 3 GGAF CC1(n2nnc3c2CC[C@@H](c2nc(-c4ccc(F)cc4)no2)C3)CCOCC1 653765585 GFLFKGVFLRGCNV-CQSZACIVSA-N 383.427 3.265 0 1 GGAF COC(=O)[C@@H]1SC[C@H](C)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587854052 BENZJZHEFCHULX-XOZCIVSQSA-N 388.302 3.242 0 1 GGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 586931208 YOSZEFQSPWQDJX-UHFFFAOYSA-N 399.398 3.021 0 1 GGAF O=C1COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2N1 587591326 CGUFKKYDJDFDPK-DENIHFKCSA-N 389.363 3.426 0 1 GGAF Cc1ccc2c(ccc3nc(COc4ccc(S(=O)(=O)N(C)C)cc4)[nH]c32)n1 586931492 FRNRMRCEVQPDIA-UHFFFAOYSA-N 396.472 3.249 0 1 GGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c(N)cnn1C 587859383 FJBVPHDFQBRUBK-UHFFFAOYSA-N 380.235 3.260 0 1 GGAF C[C@H](F)[C@@H](N)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587122820 GWPPODXXFUAMAU-BJOHPYRUSA-N 382.848 3.375 0 1 GGAF CCC(=O)[C@@H]1C(=O)OC(C)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587834720 SCAXRFDLBBLFPK-LGTHJIGGSA-N 396.256 3.374 0 1 GGAF O=C(O)c1ccnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587655745 ADQTZQCNKDNHMD-UHFFFAOYSA-N 379.322 3.424 0 1 GGAF CCOC(=O)CNc1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 587226446 ARQRLFLFFOSBOQ-UHFFFAOYSA-N 375.226 3.362 0 1 GGAF O=C(O)c1cccc2c1CCN[C@@H]2c1ccc(S(=O)(=O)c2ccccc2)cc1 963129448 FABZAPVQFRHTEQ-OAQYLSRUSA-N 393.464 3.453 0 1 GGAF CCOC(=O)c1ccc2c(c1)[C@@]1(N[C@@H](CC)Cc3c1[nH]c1ccccc31)C(=O)N2 962943836 CVPOWYFFBODBBQ-PSLXWICFSA-N 389.455 3.465 0 1 GGAF CSc1ncc([C@]2(C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)[nH]1 962716031 QBZPCQZPTLLUMN-XHDPSFHLSA-N 389.374 3.152 0 1 GGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cnc(C(F)(F)F)s2)N1 963216994 AXJFUXKGGQGXNC-JSGCOSHPSA-N 379.363 3.398 0 1 GGAF CC(C)N(C[C@H](O)Cn1c2cc(F)ccc2c2ccc(F)cc21)S(C)(=O)=O 149593910 JIJNPXIEQVWQIQ-OAHLLOKOSA-N 396.459 3.104 0 1 GGAF CCOC(=O)c1c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)sc2c1CC[C@H](C)C2 13153205 FABZOJQAWLJUQV-KSMPYDNASA-N 385.485 3.361 0 1 GGAF O=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccncc1 13760423 LEBIUZBOHXBTBZ-UHFFFAOYSA-N 395.532 3.024 0 1 GGAF COc1ccc2cc(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)[nH]c2c1 150322614 SGDXIVFGEXXEAO-UHFFFAOYSA-N 386.415 3.360 0 1 GGAF O=C1NC2(CCN(C(=O)c3ncoc3-c3ccccc3)CC2)Oc2ccccc21 1034858 VQKDJFZGNIITCJ-UHFFFAOYSA-N 389.411 3.096 0 1 GGAF 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ABOYOVDVHRDBKF-XNCJUZBTSA-N 391.279 3.494 0 1 GGAF CCCCS(=O)(=O)N[C@@H](c1nc2ccnc(Br)c2[nH]1)C(C)C 586933802 YAEWSPLJIHYYRN-LLVKDONJSA-N 389.319 3.137 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(N4C[C@H](C)O[C@@H](C)C4)nc1)[C@@H](C2)C3=O 587439456 UJLPKKRIUVZLPN-RSKKBOBFSA-N 380.444 3.193 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1cccs1)C(=O)O 587612208 KZYKYEZZPXVFGB-JXFKEZNVSA-N 382.393 3.481 0 1 GGAF Cc1c(I)cnn1[C@H](C)c1nc2cc(Cl)cnc2[nH]1 587183095 VKKNMFPWIDTPSO-SSDOTTSWSA-N 387.612 3.330 0 1 GGAF Brc1nccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586967219 QTCMUOWBGSIIME-UHFFFAOYSA-N 389.238 3.458 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1cccc(F)c1)CC2=O 587467706 QUQHYUXAQUIIKA-FQEVSTJZSA-N 392.448 3.389 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(N)=O)cc2)N1 587751904 ZYXKMAWWXOHENW-MLCYQJTMSA-N 393.256 3.076 0 1 GGAF N=c1cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2c[nH]1 587006439 NNRSXOXUTPSDAP-UHFFFAOYSA-N 396.248 3.010 0 1 GGAF CCOC(=O)[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587773099 HZOPKIHTOSSKOJ-ADLMAVQZSA-N 393.256 3.324 0 1 GGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 586931078 UXSHNCHGRZCHHR-UHFFFAOYSA-N 382.848 3.448 0 1 GGAF O=C(COc1ccccc1-c1nc2ccnc(O)c2[nH]1)Nc1ccccc1F 587155527 ZSZDYSWSOUHAFF-UHFFFAOYSA-N 378.363 3.487 0 1 GGAF Cc1cccc(N2C[C@H](C(=O)n3ncc4ccc(Cl)cc4c3=O)CC2=O)c1 587655140 SOVLYEZPGNYDTD-CQSZACIVSA-N 381.819 3.052 0 1 GGAF COC(=O)C[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586836 KBOGLRHBGRMEDU-DENIHFKCSA-N 391.379 3.207 0 1 GGAF Nc1ccccc1[C@]1(c2ccncc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963237274 XGZDASSJKKEOKR-UPVQGACJSA-N 396.450 3.103 0 1 GGAF COc1cccc2cc3c(nc12)[C@](C[C@@H]1COCCN1)(c1ccccc1)NCC3 963061447 CALMEJPFTUFJQI-YKSBVNFPSA-N 389.499 3.011 0 1 GGAF COC(=O)C[C@H]1c2cc(C(F)(F)F)ccc2S(=O)(=O)N1C1CCCC1 12478721 MMBXXDARSKNSDM-ZDUSSCGKSA-N 377.384 3.257 0 3 GGAF O=C1NC[C@@H](Cc2cccc3ccccc23)N(CC2(c3ccccc3)CC2)C1=O 13662242 OLVOPSHFGDAOTJ-OAQYLSRUSA-N 384.479 3.441 0 3 GGAF C[S@@](=O)(CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1)=NC#N 204948011 IHUSDVVWAWWCBX-MUUNZHRXSA-N 395.444 3.490 0 1 GGAF O=C(c1ccccc1)N1C[C@H](O)N(c2ccc(Br)cc2)C1=S 1008769 VOLOMZNLKXDLRU-AWEZNQCLSA-N 377.263 3.015 0 3 GGAF CCO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)[C@H](O)C(=O)[C@H]2C(C)(C)CCC[C@@]23C)CO1 2356427795 NFKPHRRRKACNJA-NIIRUJRQSA-N 380.525 3.470 0 1 GGAF CC[C@@H](C)Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc12 4316012 APCNGAWYYLDWOF-LLVKDONJSA-N 387.490 3.382 0 1 GGAF O=C(NCCCCN1C[C@@H]2CC[C@@H]1C2)c1ccc(I)cc1 102896639 FLTWPLPSPPBJFQ-CZUORRHYSA-N 398.288 3.286 0 1 GGAF Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@@H](C(=O)NCCc2cccs2)N(C)[C@H]31 103752862 GZZDLQKHHGJFCA-YSSFQJQWSA-N 394.544 3.449 0 3 GGAF Cc1cccc(N2CCN(c3c(C)c4c(O)cc(O)cc4oc3=O)CC2)c1C 53199576 VSBCZFRLXMMGIS-UHFFFAOYSA-N 380.444 3.456 0 1 GGAF O=C(Nc1cc(Cl)ccc1O[C@H]1CCC[C@@H](O)C1)c1cnn2cccnc12 113654011 ANIBTXRUWMHDCF-KGLIPLIRSA-N 386.839 3.317 0 1 GGAF CCC/C=C/c1cccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)c1 34074907 UARYXTZPTVSOPD-VKKAOUTFSA-N 396.443 3.111 0 1 GGAF COc1ccc(-c2cc3nccn3c(Nc3ccccc3C(N)=O)n2)cc1OC 34229805 CZQVOIDVDAVDFW-UHFFFAOYSA-N 389.415 3.256 0 1 GGAF C[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCNCC4)C3=O)cc2)CC1 140638393 ALZYMNLQSWGANO-IBGZPJMESA-N 396.579 3.246 0 1 GGAF CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[C@H](N3CCC[C@@H]3C)C2)c(C)c1 261106237 HLXWQWSECJUMCI-RBDMOPTHSA-N 398.551 3.007 0 1 GGAF Cc1cc(-c2nc3cc(C(=O)O)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124859 MKHLKZNKDKWCQR-UHFFFAOYSA-N 399.350 3.498 0 1 GGAF COC(=O)Nc1ccc(-c2nc3ccc(I)cc3[nH]2)cn1 587244720 JJHHUEXHQKFWBB-UHFFFAOYSA-N 394.172 3.408 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3ccccc3OC2=O)N1 587838145 ASQNGKXVLQDHGP-MGNBDDOMSA-N 376.225 3.479 0 1 GGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4c(C)nc(C)cc4[nH]3)CC2)cc1 586955074 KMRLNYQOPJPXPW-UHFFFAOYSA-N 384.505 3.451 0 1 GGAF CC(C)(CO)[C@@H](O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586901123 PJJJOMBCZRDGBC-JTQLQIEISA-N 383.164 3.276 0 1 GGAF CCS(=O)(=O)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 587158012 TXEHVPFAYPXQMZ-UHFFFAOYSA-N 384.230 3.320 0 1 GGAF Cc1ccc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2c1 586946858 UCRLGVOGVDZGNB-OAHLLOKOSA-N 385.489 3.304 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1nc(Br)ccc1OC)[C@@H](C2)C3=O 587419671 XREFGUCEUUNINI-DYZYQPBXSA-N 376.206 3.350 0 1 GGAF CCOc1cccc([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1OC(F)F 963528547 UGLBPHFPVNXARC-WMLDXEAASA-N 393.386 3.389 0 1 GGAF COc1cc2c(cc1OC)[C@]1(CCc3c(N)cccc31)NCC21CCOCC1 963187016 KWUSRJQYMNEUIV-HSZRJFAPSA-N 380.488 3.127 0 1 GGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2ccncc2)([C@H]2CCSC2)N1 963225242 CXXOKRJFYRIXQJ-GJULWVSJSA-N 391.496 3.225 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@@H]3CCCOC3)c2cn1)c1ccccc1 1772615866 XUOMAALPUPHLBK-UKRRQHHQSA-N 380.452 3.432 0 1 GGAF CN1C(=O)[C@H](NC(=O)Nc2ccncc2)N=C(c2ccccc2)c2ccccc21 13733014 DEHMKGDWUFOKQG-FQEVSTJZSA-N 385.427 3.043 0 1 GGAF O=C1CCc2ccc(OCCCN3CCOCC3)cc2N1CCc1ccccc1 169308734 QKEXIJJZWXKLJB-UHFFFAOYSA-N 394.515 3.310 0 1 GGAF CCCC[C@]12[C@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 169335567 DTVYAHOULQCSMS-IGNNETFFSA-N 387.476 3.090 0 1 GGAF CN1O[C@@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N=C1c1ccccc1Cl 205212749 RHZCXSHUXQTVAL-IBGZPJMESA-N 387.823 3.437 0 3 GGAF COc1cc(/C=C/C(=O)Nc2cccc(OCC3CCNCC3)c2)ccc1O 1857552833 ILNLWXSOBROORO-SOFGYWHQSA-N 382.460 3.431 0 1 GGAF COC(=O)CNC(=O)CCCc1ccc(OCCCN)c(CCCC(C)C)c1 1857768019 KSXHQOFSEYEFSY-UHFFFAOYSA-N 392.540 3.005 0 1 GGAF CC(=O)OCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F 592243 ABYRMLQJJYLYBB-UHFFFAOYSA-N 378.306 3.105 0 1 GGAF COc1ccc2c(c1)c1nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nc1n2C 1366295 TWPCNTBDKYFQRE-STQMWFEESA-N 399.520 3.407 0 3 GGAF aggregator CC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccc(F)cc1 2456297 AISFVIHYFYQLFO-KRWDZBQOSA-N 377.213 3.478 0 3 GGAF Cc1ccc2cc(CCNC(=O)c3cc4ccccc4oc3=O)c(=O)[nH]c2c1C 4032970 UEGXXONFFUDDNN-UHFFFAOYSA-N 388.423 3.224 0 1 GGAF COc1ncc2nc(-c3ccc(F)cc3)c(=O)n(CCc3ccccc3)c2n1 4238944 WMYNIJPGTBVYNE-UHFFFAOYSA-N 376.391 3.244 0 1 GGAF C[C@@]1(c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)COc2ncnc(N)c2O1 101448031 PTURRLPBGFGSSH-QTCYRWPVSA-N 383.448 3.494 0 1 GGAF Ic1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1 28881075 BHMLFPOTZYRDKA-IRXDYDNUSA-N 395.240 3.400 0 1 GGAF in-vivo Cn1c2c(c3cc(S(=O)(=O)n4ccc5ccncc54)ccc31)[C@@H]1CC[C@@H](C2)N1 100632891 VBADCNLCNDVGHG-YOEHRIQHSA-N 392.484 3.114 0 1 GGAF CCOC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2C 100741989 VOUOGJPPHPSUFT-FPCVCCKLSA-N 399.272 3.421 0 1 GGAF O=C(Nc1ccc(F)cc1CN1C(=O)c2ccccc2C1=O)c1ccccn1 28948837 XZKIGXHSDARKJA-UHFFFAOYSA-N 375.359 3.269 0 1 GGAF Nc1ccccc1NC(=O)c1ccc(N2C[C@H]3C[C@@H]2CN3Cc2ccccc2)nc1 28824507 PBMKYZTWPXOURJ-WOJBJXKFSA-N 399.498 3.379 0 1 GGAF CCCN(CCO)c1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12 27186629 GWCPFWPGFARHIB-UHFFFAOYSA-N 384.480 3.239 0 1 GGAF CCN1CCN(C(=O)C2(NC(=O)Nc3ccccc3Cl)CCCCC2)CC1 26440025 JQWLXGDWDALJFN-UHFFFAOYSA-N 392.931 3.329 0 3 GGAF CC(C)S(=O)(=O)n1c(N)nc2ccc(NC(=O)c3ccccc3Cl)cc21 28963389 DEUMIZLRLLYSEN-UHFFFAOYSA-N 392.868 3.111 0 1 GGAF O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1CCCNCCCCc1ccccc1 28526623 DNFINBGUPDUJRO-QFIPXVFZSA-N 391.515 3.378 0 1 GGAF O=C(Nc1cnn(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccccn1 116776376 AUXHDGOHOFFSHN-UHFFFAOYSA-N 397.243 3.074 0 1 GGAF CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(Br)c1 29038769 ZNRJWLLKRMWGGV-UHFFFAOYSA-N 391.337 3.349 0 1 GGAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]3O[C@@H](C[C@@]4(C)O[C@@]3(C)CC[C@H]4O)[C@@H]21 2356441524 WDBWGFYTOQTQAN-LSVRQGSLSA-N 380.525 3.466 0 1 GGAF CC(C)CCCCCC[C@@]1(O)C=C[C@@H]2N(CCCCCNC(=N)N)CCCN21 2356836079 KWWMOUZIZQPDLJ-IFMALSPDSA-N 393.620 3.229 0 1 GGAF CN(C(=O)OCc1ccccc1)[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O 2356865674 WCWQFBKXPIYQTP-HNNXBMFYSA-N 380.441 3.013 0 1 GGAF Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)CC(C)(C)C)CC3 82196237 VGOQBRDMFWCISF-UHFFFAOYSA-N 378.476 3.250 0 1 GGAF COCCNc1ncc(C(=O)NCc2ccccc2)c(-c2ccccc2F)n1 82152964 LTBUKPLQSCFNCI-UHFFFAOYSA-N 380.423 3.271 0 1 GGAF C/C=C/c1ccc([C@H]2[C@H](CO)N[C@H]2CN(CC(C)C)C(=O)c2ccccn2)cc1 95566375 OBKJPIVUKOQMKX-UAYAMYBHSA-N 393.531 3.329 0 1 GGAF O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCOc3cccc(F)c31)CC2 473119547 AZWXMFKNAMIHKS-GOSISDBHSA-N 381.451 3.078 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C[C@H](CC(=O)O)c4cc(OC)ccc41)[C@@H](C2)C3=O 587442207 KKAXKWMQTZADPV-KKYRWEBSSA-N 380.396 3.309 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CC4(CCNCC4)Oc4ccccc41)[C@@H](C2)C3=O 587440098 OAUMDKGHZFDEJI-SBUREZEXSA-N 377.440 3.243 0 1 GGAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(-n2ccnc2)nn1 587661468 OZRKBIFHIFLECZ-UHFFFAOYSA-N 384.374 3.168 0 1 GGAF CCn1cc(N)c(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)n1 587863252 WBMYJVONLWRHBF-UHFFFAOYSA-N 379.342 3.065 0 1 GGAF O=C(O)c1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1F 587160953 IXSUOPXWSWZKDR-UHFFFAOYSA-N 389.749 3.500 0 1 GGAF Cn1nc(C(F)(F)F)cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587119019 WBYMRNWNSORWPU-UHFFFAOYSA-N 389.341 3.042 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCOCC3)nc1)CC2=O 587473860 CGBXCLBCTDGDHP-JOCHJYFZSA-N 382.460 3.457 0 1 GGAF NCCOCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587245809 YJZCKIWMMALSQJ-UHFFFAOYSA-N 396.344 3.448 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1 586896301 AFDUPBNMZISTCC-UHFFFAOYSA-N 385.489 3.427 0 1 GGAF CCN(CC)c1ccc2c(c1)OC(=O)C[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429185 OOXXMSMCYZXCNF-HXOBKFHXSA-N 393.439 3.493 0 1 GGAF CCc1ccc([C@]2(CN3CCOCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441094 DEPZQXMEDDPAMY-YKSBVNFPSA-N 393.483 3.233 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3c(c2)ncn3C)N1 587758543 QOJSMVTZQLLKDU-ABKXIKBNSA-N 375.245 3.494 0 1 GGAF N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)OCc1cn(-c2ccc(Cl)cc2)nn1 1772652200 AERKBYWZZZQOCH-SFHVURJKSA-N 395.850 3.015 0 1 GGAF CCOc1ccc(CN2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCO)cc1OC 1772572385 WUJOQLBIKQZTTE-VAWZGJIGSA-N 388.552 3.151 0 1 GGAF Cc1ccc(S(=O)(=O)NCCCCCCNc2nsc3nccn23)cc1 13641262 XWNIGYVLQLWABJ-UHFFFAOYSA-N 393.538 3.050 0 1 GGAF CNc1nc(Nc2ccc(-c3nncn3C)cc2OC)ncc1C(F)(F)F 169704359 ZBHHXQRUHWVMEW-UHFFFAOYSA-N 379.346 3.085 0 1 GGAF Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC(N)CC1 205264816 MTVXTVPKTZLIOC-UHFFFAOYSA-N 385.475 3.318 0 1 GGAF COc1cc(C2=C[C@H](O)CCc3c2ccc(OC)c3OC)cc(OC)c1OC 1857568195 UNLWBOHKBBVITI-CQSZACIVSA-N 386.444 3.468 0 1 GGAF CC(C)[C@@H](CO)N=c1[nH]ccn2c(-c3cccc(OC(F)(F)F)c3)cnc12 1857576313 NRAULLISCQEJSZ-CQSZACIVSA-N 380.370 3.146 0 1 GGAF O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1c2c(nc3c1CCC3)CCC2 3959204 MNYCQZJYUZVVBN-UHFFFAOYSA-N 389.455 3.074 0 3 GGAF O=C(Nc1cccnn1)N1CCN(c2cc(-c3ccc(F)cc3F)ccn2)CC1 103267361 KBNXOJQSWKFIGN-UHFFFAOYSA-N 396.401 3.171 0 1 GGAF COC(=O)N1C=CC=C([C@H]2C(C(=O)OC(C)C)=C(C)N=C(C)/C2=C(/O)OC)C1 27732344 CIKJOKVAEGHSDZ-PQMNFKMDSA-N 390.436 3.241 0 1 GGAF COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 100632751 ZAKOAAGMLYVQEK-GUYCJALGSA-N 382.485 3.369 0 1 GGAF CCCc1c(O)n(C(=O)c2ccccc2)c(SCCN(CC)CC)nc1=O 104273677 IXRZHFVRCYOYII-UHFFFAOYSA-N 389.521 3.024 0 3 GGAF Cn1c(=O)[nH]c(N2CCC(c3ccccc3)CC2)c(Cc2ccccc2)c1=O 28707960 HGOVZTMAALDDNG-UHFFFAOYSA-N 375.472 3.048 0 1 GGAF CC1(COc2ccc(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)cc2)COC1 117721087 ZMDYBFWLZBZPCY-FQEVSTJZSA-N 382.460 3.015 0 1 GGAF CCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82224399 XXHHIXZYARCZEA-GOSISDBHSA-N 382.508 3.427 0 1 GGAF CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(CC)C(=O)c1ccc(F)cc1 95895426 BFKGWLLXKNNDRP-VWPQPMDRSA-N 398.478 3.053 0 1 GGAF COc1ccc2ccn(S(=O)(=O)c3cccc(NC4CCN(C)CC4)c3)c2c1 95564936 ADROLHHLHSTDIC-UHFFFAOYSA-N 399.516 3.393 0 1 GGAF O=C1C[C@@]2(CN(Cc3ccccc3)C[C@@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587517159 ICUPHUXRXQASOZ-YKSBVNFPSA-N 391.467 3.486 0 1 GGAF CC1=C(c2ccc3nc([C@H](c4ccc(F)cc4)N(C)C)[nH]c3c2)NNC(=O)C1 587164701 ZGGTUYNBKQRXMO-FQEVSTJZSA-N 379.439 3.109 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(n1cnnc1)CC2 587575584 FZIKWYXTSMBAOW-TUVDCLKLSA-N 377.400 3.499 0 1 GGAF COc1cc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ncn1 587776430 CKOLWIDVFRCJFU-DYZYQPBXSA-N 380.261 3.379 0 1 GGAF CCN(CC)c1ccc(-c2nn(CCN(C)C)c(=O)c3ccccc23)c(O)c1 587665482 QSVGEPYVEYGAGA-UHFFFAOYSA-N 380.492 3.177 0 1 GGAF Cc1cc(-c2nc3c(C(=O)O)cccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124665 KVQKDNRNWKSUSZ-UHFFFAOYSA-N 399.350 3.498 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(N)ccc(O)c21 587388444 BUVWXZUWNHXJMC-QHCPKHFHSA-N 386.407 3.318 0 1 GGAF COC(=O)[C@@]1(CC(=O)C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587804739 FJGPGOFGCMIPCF-QGHHPUGFSA-N 386.261 3.106 0 1 GGAF Cc1ccc(S(N)(=O)=O)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587531203 JMRPOIAYNGSARO-NRFANRHFSA-N 385.485 3.402 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(COc3ccc(F)cc3)[nH]c2c1 587169941 LNJMKICCZJVBKD-UHFFFAOYSA-N 377.441 3.359 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(=O)O)nc2)N1 587773367 QVXWJJCJVKYPKO-XLFHBGCDSA-N 379.229 3.479 0 1 GGAF COc1cccc2cc3c(nc12)[C@@](C)(c1ccc(NC(N)=S)cc1)NCC3 963034200 LYFMGMVGZWSRAU-OAQYLSRUSA-N 378.501 3.308 0 1 GGAF CCc1ccc2c(c1)[C@]1(C(=O)N2C)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962634694 WNRRKYYZUKFYSD-QKFKETGDSA-N 380.488 3.363 0 1 GGAF CN1[C@H]2COC[C@H]1CC(OC(=O)c1cn(-c3cncs3)c3ccccc13)C2 1772617525 CIPADSAXKOGFQW-ZIAGYGMSSA-N 383.473 3.105 0 1 GGAF O=C([C@H]1CCC(=O)N(C2CCCC2)C1)N1CCN(c2ccc(Cl)cc2)CC1 12199805 KBFJENUZSPPQRO-INIZCTEOSA-N 389.927 3.170 0 3 GGAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-n2cccn2)n1 167857000 CMOIZFQRFFEJJY-WBVHZDCISA-N 392.459 3.394 0 1 GGAF CCCCN1C=N[C@@H]2C(=O)NC(Cc3ccc(OCc4ccccc4)cc3)=N[C@H]21 1857554083 BVPKCYPAUDDAOW-VXKWHMMOSA-N 390.487 3.175 0 1 GGAF NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)cc1 3814722 BBOGYKPAKFQZFU-UHFFFAOYSA-N 385.342 3.345 0 1 GGAF CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3c(=O)[nH]c4ccc(C)cc4c3s2)C1 4950638 SSVGXMXRSCWYKD-CYBMUJFWSA-N 398.484 3.467 0 1 GGAF O=C(Cn1ncc2c3ccccc3nc-2c1O)NCCc1ccc(Cl)cc1 101779980 ZSNKCHUIUOYIMD-UHFFFAOYSA-N 380.835 3.254 0 1 GGAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1[C@H]2CCC[C@@H]1C[C@H](C(N)=O)C2 101069221 VSBPAZLSKLWBGS-XXTUFTOESA-N 378.900 3.294 0 1 GGAF C[C@@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCN1CCc1ccccc1 61926915 BXBAKCLOEFRMHB-VWLOTQADSA-N 391.559 3.474 0 3 GGAF O=C1S/C(=C\c2ccc3ccccc3c2)C(=O)N1CC(O)(O)C(F)(F)F 49803368 XRXHONARBOYNHW-JYRVWZFOSA-N 383.347 3.119 0 1 GGAF COc1sc2nc(-c3cccs3)nc(NN3C(=O)C=C(C)C3=O)c2c1C 146444632 JSYYDYRFKWHSMH-UHFFFAOYSA-N 386.458 3.379 0 1 GGAF CNS(=O)(=O)c1ccc(-c2ccccc2)c(Nc2nc[nH]c3nccc2-3)c1 146085908 CGSNQUOILCKZFC-UHFFFAOYSA-N 379.445 3.228 0 1 GGAF CNC(=O)c1c(=O)n2c(c3[nH]c4ccc(Cl)cc4c13)C(=O)c1ccccc1-2 238789877 BKICGTSWQXJDSY-UHFFFAOYSA-N 377.787 3.029 0 1 GGAF Cc1cccc(C)c1NC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1ccccn1 141775584 YKZLNUQIVRBFHZ-JYBIWHBTSA-N 375.472 3.392 0 1 GGAF O=C1C[C@@H](c2cccc(Cl)c2)C(=O)N1CN1CCN(C2CCCCC2)CC1 96938040 SRWIJQOJWJYOHJ-IBGZPJMESA-N 389.927 3.090 0 1 GGAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(N)ncnc4[nH]3)c(F)c2)c1 587147460 ODUDYEAIKBMMBX-UHFFFAOYSA-N 379.351 3.115 0 1 GGAF NC(=O)c1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 587183996 NDLNFSWEDKSGIG-BQYQJAHWSA-N 389.196 3.437 0 1 GGAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 586945262 CFWXGVOKXKHGNI-UHFFFAOYSA-N 389.355 3.079 0 1 GGAF O=S(=O)(c1ncccc1-c1nc2c(Cl)ncc(F)c2[nH]1)C(F)(F)F 587127329 QQAOQRYLIQBXMS-UHFFFAOYSA-N 380.710 3.106 0 1 GGAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(F)c(F)c2[nH]1 587201894 CWLMYPWVMQRPPT-ZDUSSCGKSA-N 375.331 3.283 0 1 GGAF COc1cc2c3c(c1)O[C@](CO)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587420574 XYHLQNXFNXOPLP-KBXCAEBGSA-N 375.218 3.093 0 1 GGAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587149407 GSXYIDXOAYPGDA-JTQLQIEISA-N 381.404 3.231 0 1 GGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CSCc3c(F)cccc32)N1 963230039 LDOIVKRBUBYHCJ-PZJWPPBQSA-N 380.444 3.463 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@H](c3ccccc3OC[C@H]3CCCO3)c3cccc1c32 963028966 PLTMXJPYJRHHJC-CKNGIIGNSA-N 378.472 3.387 0 1 GGAF COCCOc1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2 1772632436 MHVGVCFUQVMMKF-UHFFFAOYSA-N 393.447 3.107 0 1 GGAF CC1CCC(NC(=O)[C@@H]2c3cccn3CC(=O)N2CCc2ccccc2)CC1 5065367 ORZRYYCRONSXIC-FQVRHNBASA-N 379.504 3.309 0 1 GGAF CC(C)(C)[C@]1(O)C=C(O)C(=O)N1NC(=O)c1ccccc1Nc1ccccc1 5596275 WMUQHNIRFLEXMV-OAQYLSRUSA-N 381.432 3.094 0 1 GGAF COc1ccc(C(=O)O[C@H]2[C@H](C)OC=C[C@H]2OC(=O)c2ccc(OC)cc2)cc1 5810391 OEHLTPIDZCHVKH-KPOBHBOGSA-N 398.411 3.387 0 1 GGAF O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 13560110 DABSIMIABRDOKT-UHFFFAOYSA-N 389.927 3.171 0 1 GGAF Cc1ncoc1C(=O)N1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 13596336 KDFYFLAOZUZBCW-CQSZACIVSA-N 391.418 3.210 0 3 GGAF COc1ccc(CCNCCCOc2cc(=O)oc3ccccc23)cc1OC 1857558473 INJDBADCPHQZED-UHFFFAOYSA-N 383.444 3.411 0 1 GGAF Cc1cccc(-c2nnn(CC(=O)Nc3cc(C)nn3C3CCCCC3)n2)c1 1857585977 JRBXCSMDVFTPJP-UHFFFAOYSA-N 379.468 3.297 0 1 GGAF O=C(Cn1c(=O)sc2ccccc21)N1CCN(c2ccc(Cl)cc2)CC1 2461544 KVNSXYQLDKZEMT-UHFFFAOYSA-N 387.892 3.065 0 1 GGAF O=C(NCCCN1CCCC1=O)c1c(-c2ccccc2F)noc1-c1ccoc1 2482571 IEGGEDCBRLOZNH-UHFFFAOYSA-N 397.406 3.483 0 1 GGAF CC(=O)O[C@@H]1[C@@H](OC[C@H](C)C(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 2356347348 GMHDTFBUYSRCCK-UUFIDDLGSA-N 388.416 3.179 0 1 GGAF CCOc1ccc(C2=c3cc(OCC)ccc3=NC(c3cccs3)=NN2)cc1 104241769 RGPPXUDDRMUYSQ-UHFFFAOYSA-N 391.496 3.287 0 3 GGAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(O)n(-c2ccccc2Cl)n1 101564409 NHHCSTYGNIQKGB-HNNXBMFYSA-N 399.834 3.486 0 1 GGAF NC(=O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)C3Cc4ccccc4C3)[C@@H]2C1 26158863 XMDZQTWKEARRJU-NYDKUIOPSA-N 395.543 3.308 0 1 GGAF N[C@H](c1csc(Nc2cc(NCCCO)ncn2)n1)c1ccccc1Cl 61896094 GQHZUGSPWYBIPA-INIZCTEOSA-N 390.900 3.173 0 3 GGAF CCOC(=O)c1ccoc1-c1ccc2ncnc(NCCc3c[nH]cn3)c2c1 64672579 XDSCNVJGMCVZDW-UHFFFAOYSA-N 377.404 3.444 0 1 GGAF CC[C@H](C(=O)N1CCCC1)N1N=C(c2ccccc2)Oc2ccccc2C1=O 20597950 JGSBQLGKSSMNTI-GOSISDBHSA-N 377.444 3.284 0 1 GGAF CC1=C2C[C@@H]3[C@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CCN(C2=CC=C[CH]N2)CC1 2356870069 XHDAYTBJGBFIAV-FPRSRYDQSA-N 396.555 3.225 0 1 GGAF COc1ccc([C@@H]2Oc3cc(OC)ccc3[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 14727932 SAVFTKLIFMRXNW-PWRODBHTSA-N 386.400 3.373 0 1 GGAF biogenic O=C(O)c1cn(Cc2cc(Br)ccc2OCc2ccccc2)nn1 40791242 UFWAQOHKXWINQV-UHFFFAOYSA-N 388.221 3.366 0 1 GGAF COc1cccc([C@H]2CNC[C@H]2C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)c1 49109310 QGLWCJJKZQZWHR-IAGOWNOFSA-N 397.862 3.132 0 1 GGAF Cc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(N)=O)co1 82071564 VYFMAAUCJSDZSS-SFHVURJKSA-N 395.484 3.167 0 1 GGAF Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNCC(=O)O)cc1 141888595 YTDUCQMJOZQPSD-UHFFFAOYSA-N 381.457 3.424 0 1 GGAF C[C@]12CC[C@@H]3[C@H]4CC[C@@](C)(O)C[C@@H]4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)Cn1ncnn1 299852105 NKIYALPHXLYICR-HVOJCETBSA-N 386.540 3.262 0 1 GGAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN[C@@H]2CCC[C@H](N3CCCC3)[C@@H]21 299829346 LWDJYEJRZVMWMH-WSTZPKSXSA-N 396.362 3.353 0 1 GGAF CC(C)OC(=O)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 473082496 IRPWNLLRPUUENV-HXUWFJFHSA-N 377.444 3.300 0 1 GGAF COC(=O)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587377779 JRUNLMIGWIFOHF-HXUWFJFHSA-N 387.819 3.224 0 1 GGAF COC(=O)C[C@]1(c2c(C)nn(C)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 587513990 CUZCWFXGGKZNNJ-QFIPXVFZSA-N 382.460 3.340 0 1 GGAF COc1cc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc(Cl)c1O 587046445 UWYNYHXFNKSCLX-UHFFFAOYSA-N 384.823 3.353 0 1 GGAF CN(CCCNC(=S)n1ncc2ccc(Cl)cc2c1=O)c1ccccc1 587654961 QFSMSFSMQXVKAY-UHFFFAOYSA-N 386.908 3.299 0 1 GGAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2c1 586918194 LPLTXAJIUJIHRX-UHFFFAOYSA-N 397.456 3.415 0 1 GGAF C[C@@]1(c2nc3cncc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172414 IHPXKTOZNJCSAR-INIZCTEOSA-N 376.185 3.488 0 1 GGAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC(N)=O 587510540 LFQUOYIJEBGQTM-LJQANCHMSA-N 381.428 3.145 0 1 GGAF CN(C)/C=C/[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572110 NKFZZVSVCBRTRN-OFYNTPSNSA-N 389.411 3.115 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3n2C=CCC3=O)N1 587775588 SCBUHILPDVIDTJ-XXFAHNHDSA-N 376.229 3.465 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)OC(C)(C)C2)N1 587831281 HUHBQPNEXWILGB-XLFHBGCDSA-N 384.245 3.485 0 1 GGAF CC(C)c1nn(C)c2c1[C@@](c1ccc(C(F)(F)F)cc1)(C1CNC1)NCC2 962915391 HRXNJHGMPFDBMR-LJQANCHMSA-N 378.442 3.171 0 1 GGAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]2(c1ccccn1)[C@H]1CCNC1 962698765 JUDDECREUXHLGA-JKSBSHDWSA-N 383.536 3.437 0 1 GGAF C[C@]1(c2c[nH]c(C(=O)NC[C@H]3CCCO3)c2)c2c(F)cccc2C[C@@H]2CCCN21 963103753 LLQIIIPQFIQUPT-IXFSTUDKSA-N 397.494 3.347 0 1 GGAF Cc1nc2ccccc2n1-c1cc(Nc2ccc(OCCN(C)C)cn2)ncn1 1772604592 JEYSCBUEDROHLD-UHFFFAOYSA-N 389.463 3.203 0 1 GGAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](N[C@@H](C)CO)(c1ccccc1)C(=O)N2 1772588774 JQGLKQWMMRCIIG-XMHCIUCPSA-N 377.444 3.125 0 1 GGAF CC(=O)O[C@H]1[C@@H](OC(=O)C=C(C)C)c2cc3ccc(=O)oc3cc2OC1(C)C 13459340 NTNWNWWOOBBSQA-PMACEKPBSA-N 386.400 3.446 0 1 GGAF biogenic C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccc(O)cc2)C1=O 1857575913 HEVHIURIMIMQGN-GOSISDBHSA-N 380.488 3.221 0 1 GGAF Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5c(c4)OCO5)CC3)[nH]c2c1 1857656896 AUALRTRUSUBTSE-UHFFFAOYSA-N 399.472 3.168 0 1 GGAF C[C@@]1(c2cc(NC(=O)c3coc(C(F)F)n3)ccc2F)C=C(CF)OC(N)=N1 147603341 SCMVSVKVGVGMJP-KRWDZBQOSA-N 398.316 3.417 0 1 GGAF Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NCCN(C)C)cc32)c1 3638694 JUECLYAQRSOSEZ-UHFFFAOYSA-N 397.544 3.234 0 1 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NC[C@H](O)CC 4152390 URGRKJHTNNHKQB-BJZITVGISA-N 388.489 3.126 0 1 GGAF C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCC(=O)NO)cc23)c1 59149021 UEMIHBVWQRIABF-UHFFFAOYSA-N 392.415 3.028 0 1 GGAF CCOC(=O)C1=C(C)N2CCO[C@]2(C)[C@H](C(=O)OC)[C@H]1c1cccc(Cl)c1 105507891 SXTPDZQSMBLNMP-ABSDTBQOSA-N 393.867 3.112 0 1 GGAF O=C(C1CCOCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1 100108145 FBDIOEJWUJRDGP-KOUNCHBCSA-N 380.463 3.186 0 1 GGAF O=Cc1cccc(OCCCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 103195686 WEEIAVWIESJZLS-UHFFFAOYSA-N 386.879 3.379 0 1 GGAF O=S1(=O)Nc2ccccc2N1C1CCN([C@@H]2CCc3ccccc3C2)CC1 28384787 DJOPZHXRTIWCKX-LJQANCHMSA-N 383.517 3.185 0 1 GGAF COc1cc(N(C)C)ccc1[C@@H]1CC(c2c(O)cc(C)oc2=O)=NCCS1 28899073 PNGYJGHKOUJCHN-SFHVURJKSA-N 388.489 3.396 0 1 GGAF COc1ncccc1CNC[C@@H]1COCc2nc3cc(C(F)(F)F)ccc3n21 2356300090 SWFDMHUPAHEBSC-CQSZACIVSA-N 392.381 3.320 0 1 GGAF COc1cccc2[nH]nc(NC3CCN(Cc4ccc5c(c4)OCO5)CC3)c12 28529494 MFJNTQDZTLIDSP-UHFFFAOYSA-N 380.448 3.377 0 1 GGAF O=C1Nc2cc(C(F)(F)F)ccc2[C@@]1(O)c1cc(Br)ccc1O 29254572 ASNGMWNSOSANQL-CQSZACIVSA-N 388.139 3.362 0 1 GGAF COC(=O)C1([C@@H]2C[C@@H](O)[C@]3(C)CC/C=C(/C)CCC[C@H](C)[C@H](O)[C@@H]2O3)CC1 31894935 KHHOOLUXFFPRTF-PEMBSCEHSA-N 380.525 3.372 0 1 GGAF CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(-c2ccccc2F)cc1 35931513 SCDQHFURTSHURW-QUCCMNQESA-N 376.497 3.218 0 1 GGAF CCOC(=O)c1cc(Cc2ccc(Br)cc2)c(=O)n2c1CCC2 218894494 JUCRNZYCWCSPMT-UHFFFAOYSA-N 376.250 3.325 0 1 GGAF O=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc2cc3n(c2c1)CCCNC3=O 147845011 MCLMAEZIYUAKRP-UHFFFAOYSA-N 385.427 3.417 0 1 GGAF CCOC(=O)c1ccc(Nc2ncc(N)c(Nc3ccccc3C(=O)O)n2)cc1 149024691 AUUZTNDIZZYRHI-UHFFFAOYSA-N 393.403 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N=c1[nH]ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587170659 SYUMOYXBDUMPNR-UHFFFAOYSA-N 389.437 3.039 0 1 GGAF C=CN1CC[C@H]([C@]2(CSC)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587491125 ITNSBARTYROYPY-MGPUTAFESA-N 375.490 3.404 0 1 GGAF COc1ccc([C@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587810664 UCROHNGREVAHGF-YPMLDQLKSA-N 394.240 3.459 0 1 GGAF CCOC(=O)[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585577 DRRQCRQLAYJGFD-AVRDEDQJSA-N 391.379 3.207 0 1 GGAF Cn1nc([C@@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1C(F)(F)F 962763266 JYDHZLSGXBZPMO-NHYWBVRUSA-N 391.315 3.348 0 1 GGAF Fc1cccc2c1CCN([C@H]1CCSC1)C21CCN(c2ncccn2)CC1 962723031 YAUWNOSYVCOWPJ-INIZCTEOSA-N 384.524 3.475 0 1 GGAF C[C@@]1(c2cnn3ccccc23)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962648702 WSWXIVIDYAEKTQ-GOTSBHOMSA-N 386.455 3.245 0 1 GGAF Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCO3 13488023 LEDYBEGWCAWDCY-UYAOXDASSA-N 395.478 3.441 0 1 GGAF NCCCCCCOc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)O)cc1 13738115 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OGAWCPDFNFONNX-HKBOAZHASA-N 380.444 3.246 0 1 GGAF NCc1nccnc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 66252183 PVZYYPQMTLEPEP-NRFANRHFSA-N 399.502 3.286 0 1 GGAF C[C@H](N)C(=O)NCc1cccc(-c2ocnc2-c2nnc(-c3ccccc3)o2)c1 40879849 OOJBWOXELLDMMU-ZDUSSCGKSA-N 389.415 3.022 0 1 GGAF COc1ccccc1-c1csc(N2CCC[C@H]2C(=O)NCC(F)(F)F)n1 82195447 JWXYUVSEKNZFLW-ZDUSSCGKSA-N 385.411 3.466 0 1 GGAF CC(=O)N[C@H](C)Cc1ccc(C2CN(c3cnc(OC4CCC4)nc3)C2)cc1 149627957 BTBOJQDWTFFVSI-OAHLLOKOSA-N 380.492 3.079 0 1 GGAF CCCNC(=O)O[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1 96168528 UPTFUBQEXLZBFE-GXTWGEPZSA-N 387.358 3.104 0 1 GGAF CC(C)(C)OC(=O)N1CC2(C1)OC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587518136 BMUVGEBNILYJNA-OAQYLSRUSA-N 385.460 3.289 0 1 GGAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(S)nc(S)nc4[nH]3)cc2N1 587125052 PAQQZSDHLLZQQA-XINAWCOVSA-N 387.416 3.101 0 1 GGAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(I)cnc2[nH]1 586909647 ZPZXYINIYVGVMG-QMMMGPOBSA-N 393.184 3.143 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CSc1nnnn1-c1ccccc1)O2 587409736 NZOUYQFSUFGXRO-IBGZPJMESA-N 381.461 3.069 0 1 GGAF COc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 587187343 DZETUWBKBWJAIG-UHFFFAOYSA-N 390.184 3.491 0 1 GGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(C(C)=O)cc3[nH]2)cc1 587228205 IUZOCTVYEFGHKO-UHFFFAOYSA-N 380.404 3.264 0 1 GGAF COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587591406 CJRIHCHKKWZWIS-XMSQKQJNSA-N 389.363 3.210 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2c1 586905802 CJYAPALRHGAWDL-LDADJPATSA-N 397.456 3.310 0 1 GGAF COc1cc2c3c(c1)OC1(CCN(C(=O)c4ccc(C)cc4)CC1)[C@@H](C2)C3=O 587440387 ZAAZAFVXCBPYQT-SFHVURJKSA-N 377.440 3.426 0 1 GGAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cnc(OC)c(Br)c1 963607809 KLHJHJMYGFQZGI-BTDLBPIBSA-N 393.281 3.494 0 1 GGAF Cc1nn(C)c2c1NC(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 13743170 QUKHDRUSEWLOFR-UHFFFAOYSA-N 385.431 3.234 0 1 GGAF CCOC(=O)[C@]1(C)N[C@@H](c2ccc(O)cc2)c2c1c(O)n(-c1ccccc1)c2O 169690071 ZYFJGXGUXWEZIS-PGRDOPGGSA-N 394.427 3.065 0 1 GGAF COc1ccc2c(c1)CCn1c-2cc(OC[C@H]2CCc3ccccc3O2)nc1=O 209692271 CFTLGKJHVXVWCT-GOSISDBHSA-N 390.439 3.248 0 1 GGAF C[C@@H](N=c1nc(-c2ccc3ncsc3c2)[nH]c(=N[C@H](C)C2CC2)[nH]1)C1CC1 1857572517 SMVCAEANQVGINM-VXGBXAGGSA-N 380.521 3.413 0 1 GGAF COc1c(OC)c(OC(C)=O)c2cc(Br)ccc2c1OC(C)=O 29313614 AFTXLFGFAFVMGW-UHFFFAOYSA-N 383.194 3.470 0 1 GGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCOC)c1 4050091 MCFZVCBHVUSWAW-FPOVZHCZSA-N 382.460 3.330 0 1 GGAF CCN1CCN(c2nc3ccccc3nc2C(=O)c2ccc(OC)cc2)CC1 6385030 ZGHHWFMOABNUPC-UHFFFAOYSA-N 376.460 3.011 0 1 GGAF COc1ccc([C@]23OC[C@]24[C@H]2[C@H](OC[C@H]24)c2cc(OC)c(OC)cc23)cc1OC 100767209 QNMXTGTWSBDJKC-CCEOMQLWSA-N 396.439 3.312 0 1 GGAF CCCCn1ncc(OCc2nnc(-c3ccc(F)cc3)o2)c(Cl)c1=O 103217032 UVHURGFDRUAYBV-UHFFFAOYSA-N 378.791 3.465 0 1 GGAF COc1cccc(-c2noc(N3CCN(Cc4ccccc4)CC3)n2)c1OC 21630789 CJTAGDDKICDEGA-UHFFFAOYSA-N 380.448 3.076 0 1 GGAF O=C(NCCN1CCN([C@@H]2CCCc3ccccc32)CC1)c1ccc(F)cc1 22938686 POZFPYZCVYTCQZ-JOCHJYFZSA-N 381.495 3.251 0 1 GGAF NC(=O)c1cc(NCc2cccnc2)cc2c(NCc3ccccc3)ncnc12 114346272 WLTDEXQRZVQJTQ-UHFFFAOYSA-N 384.443 3.348 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@]3(OC)C[C@]12O 2356452623 XNOMSXWCVIAZGH-NQXAMUTISA-N 378.465 3.042 0 1 GGAF O=S1(=O)C[C@@H](N2CCC(Cc3ccccc3)CC2)CN1CCc1ccccc1 72139838 JPWHMSKJPCWMLS-QHCPKHFHSA-N 398.572 3.198 0 3 GGAF CC(=O)Nc1cccc(N(C[C@H]2CCCN2)C(=O)[C@@H](C)Oc2ccccc2)c1 40414382 IKOUBUOLRKVECX-VQIMIIECSA-N 381.476 3.198 0 1 GGAF CCNC(=O)Nc1cn2c(-c3ncc(F)cn3)cc(-c3cccnc3)cc2n1 45320687 PRKHQSKTQFWPGJ-UHFFFAOYSA-N 377.383 3.134 0 1 GGAF COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1 82132482 IXKXCBXIDAWVNQ-CALCHBBNSA-N 382.508 3.392 0 1 GGAF C[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 40601999 LILMACHWEDUPFV-UTSGNWPNSA-N 392.499 3.239 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@H]1c1cccc(C)c1 95568301 MCEPXTYKIMIIFY-IBGZPJMESA-N 389.448 3.369 0 3 GGAF COc1cnc(COc2ccc(F)cc2C)cc1-c1cc2c([nH]1)CCNC2=O 95561812 WYOFSHLAFWJJAZ-UHFFFAOYSA-N 381.407 3.398 0 1 GGAF in-vitro CN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1CC1CC1)C(=O)c1ccc(F)cc1 95895410 AXTMFJHTOGWHNK-BDTNDASRSA-N 382.479 3.137 0 1 GGAF CCCCC/C=C\C/C=C\C[C@@H](O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 96094949 LVNITLZCNUEXQK-QNCXCJACSA-O 384.537 3.303 0 1 GGAF in-vitro Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3ccc(F)nc3)C2)c1 96175589 RBRJTDKOGIFTFG-MRXNPFEDSA-N 395.438 3.041 0 1 GGAF Cc1cccc2c(CN3CC[C@H](NS(C)(=O)=O)C3)c(-c3ccccc3)[nH]c12 299825648 ZOFYQYKKFDTZEW-KRWDZBQOSA-N 383.517 3.267 0 1 GGAF COc1cccc2c1[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587797920 SSPHEZDCAQFMAE-NIVTXAMTSA-N 391.240 3.327 0 1 GGAF COC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587648714 GCNDAFNORHERHZ-UHFFFAOYSA-N 391.832 3.248 0 1 GGAF COc1cc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cn1 586985566 OOLLTFGSDAMPMV-ZDUSSCGKSA-N 389.253 3.149 0 1 GGAF Cc1c(Br)cnc2[nH]c(CNC(=O)[C@@H](C)Oc3ccccc3)nc12 587224534 JTVMXFRRSSHDJF-LLVKDONJSA-N 389.253 3.113 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@@H]1CN(C)CCO1)O2 587379485 VEAKLLKTCKKDDR-PZJWPPBQSA-N 386.879 3.422 0 1 GGAF COc1ccc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2n1 586985273 TWNWZEHAAFJFPU-AWEZNQCLSA-N 389.253 3.149 0 1 GGAF Cn1ccnc1[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576287 ILUAMGXGICTCHL-AUSIDOKSSA-N 399.406 3.426 0 1 GGAF Cn1nc2c(c1C(=O)N1CCC[C@@H](C(=O)c3cc(F)ccc3F)C1)CCCC2 13593259 ZCHYGNVGPDYRDQ-CYBMUJFWSA-N 387.430 3.312 0 3 GGAF O=C(CN1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)C1CCC1 19361022 YTZUOZVKZMXBOP-DEOSSOPVSA-N 378.516 3.061 0 1 GGAF Cc1ccc(NS(C)(=O)=O)c(-c2cc3cc(C)ccc3n2S(C)(=O)=O)c1 169321782 UZTKSJSMBFMSQD-UHFFFAOYSA-N 392.502 3.104 0 1 GGAF Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1-c1ccc(F)cc1OCC1CC1 225947081 UNPSHKPWHBDUJV-UHFFFAOYSA-N 391.410 3.257 0 1 GGAF CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C 4369696 AAPZMQVULRVUEU-XLNLXUOMSA-N 398.499 3.324 0 1 GGAF CCOC(=O)CCCCO[C@H](COCc1ccc(OC)cc1)Cn1ccnc1 29482418 XWKACUCILSFSRX-FQEVSTJZSA-N 390.480 3.227 0 1 GGAF CCO[C@@H](C)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 100853382 YLGFGFSODXCCQV-VQCKQEAPSA-N 397.515 3.038 0 1 GGAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(-c2nc3ccccc3c(=O)o2)cc1 101150963 CBBBWKJDXWKPLT-QZCPTFHJSA-N 384.391 3.167 0 1 GGAF COc1ccc(-c2cn(C(C)=O)c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1 29130267 SBNMJKRXSRDUDH-UHFFFAOYSA-N 398.415 3.001 0 1 GGAF COC(=O)c1ccc2nc(CO[C@H]3CN(Cc4ccccc4)C[C@@H]3F)[nH]c2c1 2356302228 PGXRZYJMPOJOQW-LPHOPBHVSA-N 383.423 3.089 0 1 GGAF Cc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2N)cc1 66104020 JSAOIYNBSQMJDT-NRFANRHFSA-N 389.455 3.263 0 1 GGAF COc1cccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc12 27849549 HPNSJGWCFMHOJX-UHFFFAOYSA-N 389.455 3.359 0 1 GGAF CN1C(=N)N[C@](c2ccncc2)(c2cccc(-c3cc(F)cc(F)c3)c2)C1=O 34806419 AYXHXAPMJNZSFH-OAQYLSRUSA-N 378.382 3.267 0 1 GGAF Cc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2nn1C 1911571497 GQTGXEZWVWUPJM-UHFFFAOYSA-N 390.274 3.202 0 1 GGAF O=C(CN1CCN(c2ccc(Cl)cc2)CC1)NC1C2CC3CC(C2)CC1C3 84623703 DCNCPYLJHYTVBO-UHFFFAOYSA-N 387.955 3.403 0 1 GGAF CCCCCNc1ncnc2c1nc(-c1ccc(O)c(OC)c1)n2CCOC 82186183 LEPBHCIGWSYOEX-UHFFFAOYSA-N 385.468 3.456 0 1 GGAF O=S(=O)(N[C@@H]1[C@H]2CCCC[C@]1(C1=NCCN1)CC2)c1ccc(Cl)s1 40614183 OLLQXCBDIMYQRB-PEYYIBSZSA-N 387.958 3.021 0 1 GGAF Cn1c2c(c3cc(C(=O)N4CCCCC4)ccc31)CN(C1CCOCC1)CC2 82154194 AWPMNXJSXFCGSV-UHFFFAOYSA-N 381.520 3.342 0 1 GGAF COC1CCC2(CC1)Cc1ccc(C#CCC(C)C)cc1[C@]21N=C(N)N(C)C1=O 141180337 TVMKDWFWVGMEKF-PBSMCPNCSA-N 393.531 3.198 0 1 GGAF CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cccs3)c2=O)CC1 25233036 HIJGCIDEBKDDQL-SJORKVTESA-N 397.544 3.007 0 1 GGAF biogenic FC(F)(F)c1ccnc(Sc2ccc3nnc(-c4cncs4)n3n2)n1 95604661 NPUIWLGTCQPELK-UHFFFAOYSA-N 381.368 3.208 0 1 GGAF CC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)NC(C)C 95895071 FBEAZEFQULRAGL-YPAWHYETSA-N 399.535 3.027 0 1 GGAF O[C@@H](COc1ccc(C(F)(F)F)cc1)CN1CCN(c2ccccc2F)CC1 95590330 KKHQCSZGMUKFDR-MRXNPFEDSA-N 398.400 3.406 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cncnc3)c2cn1)c1ccc(F)cc1 261126416 KHXKSBIFXOBCEK-LLVKDONJSA-N 377.383 3.437 0 1 GGAF CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1 261087821 CXLYWFQWNGCVEG-IYARVYRRSA-N 384.524 3.425 0 1 GGAF CC(=O)c1ccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN2CCCCC2)cc1 43527069 YMZFRWZYMJRUJV-RZUBCFFCSA-N 398.551 3.207 0 1 GGAF biogenic CCn1nccc1Oc1cc(C[C@H]2CC[C@](C)(O)CC2)cnc1NC(=O)NC 299838003 PWPGDNXSBLRVKY-OYOVHJISSA-N 387.484 3.325 0 1 GGAF Cn1nc(C(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587557731 SPDWRVNNOBIZCM-GUYCJALGSA-N 388.326 3.472 0 1 GGAF COC(=O)c1scnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587853893 ONKUKURTAWWIOF-JMCQJSRRSA-N 385.258 3.455 0 1 GGAF COc1cc(OC)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc2c1 587237042 LGQQWMXUHNMFDV-UHFFFAOYSA-N 391.468 3.235 0 1 GGAF COC(=O)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587774488 VWZKSFSUYLZRGB-ABKXIKBNSA-N 379.229 3.393 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)N3CCCC3)cc1)O2 587392853 DVDPUGVQDXBPHU-HXUWFJFHSA-N 380.444 3.285 0 1 GGAF CC(=O)Oc1cc(OC(C)=O)cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587402705 GNIFJCIIVOYEGC-OAQYLSRUSA-N 383.400 3.308 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3[nH]c(=N)sc3C2)N1 587853554 AETRSDMPZJEXJK-VPTHRUTESA-N 382.302 3.376 0 1 GGAF O=C1CC=C(c2nc3c(F)cnc(Cl)c3[nH]2)NN1Cc1ccc(F)cc1 587162762 DEFUBYIORNHRCH-UHFFFAOYSA-N 375.766 3.168 0 1 GGAF COc1ccc2c(c1OC)C(=O)O/C2=C/c1cc2c(cc1CCN(C)C)OCO2 2028674 WKXVSXLPAVDRQX-LICLKQGHSA-N 397.427 3.205 0 1 GGAF CCN1CCC[C@@H]1CNC(=O)c1sc2ncnc(NCc3ccco3)c2c1C 11786747 JNWUHDLAYPKMNY-CQSZACIVSA-N 399.520 3.419 0 1 GGAF CC(C)(C)NCc1cc(NC(=O)Nc2cccc3c2[C@@H]2CCCN2C3=O)n[nH]1 13471131 GTZWWDDACCTQQM-HNNXBMFYSA-N 382.468 3.233 0 1 GGAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C[S@](=O)CC(=O)N2CCCCC2)C1 13584888 UYZIOAGSIQKHRT-MIRXNBLZSA-N 396.984 3.137 0 1 GGAF CCOC(=O)[C@@H]1CN(C(=O)OC)C[C@H]1c1ccc(OC)c(OC2CCCC2)c1 13745001 UVJMVEXVQZBBHX-DLBZAZTESA-N 391.464 3.362 0 1 GGAF N[C@H](COc1cncc(-c2ccc3[nH]c(=O)[nH]c3c2)c1)Cc1c[nH]c2ccccc12 14962383 CQGHCCOBBCOGTN-KRWDZBQOSA-N 399.454 3.348 0 1 GGAF COc1cccc(Cn2c(CC(C)(C)C)nc3c(N4CCNCC4)ccnc32)c1 1857633808 FBCADTQQYOZWAI-UHFFFAOYSA-N 393.535 3.486 0 1 GGAF COc1cc(Br)cc2cc(C3=CSC4=NCCN34)c(=O)oc12 1662012 OBSGTCWKFUZTBI-UHFFFAOYSA-N 379.235 3.281 0 1 GGAF O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCCC1=CCCCC1 2966773 XCOCFRNPXWRIFF-KRWDZBQOSA-N 396.516 3.141 0 1 GGAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)OCCc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 100645049 WSTBUYSFCXEAIP-CZYKHXBRSA-N 393.483 3.481 0 1 GGAF CC1(C)CC(NC(=O)CC(=O)Nc2ccc(Br)cc2)CC(C)(C)N1 52912426 KYBWTINOKBIJQV-UHFFFAOYSA-N 396.329 3.203 0 1 GGAF NCCCc1cn(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc12 29125878 RJNHGHQCBFOQKS-UHFFFAOYSA-N 384.439 3.039 0 1 GGAF CC(=O)[C@H](C)[C@](C)(O)C(=O)OC1=CC(C)=CCCC(C)=C[C@@H]2OC(=O)[C@@H](C)[C@@H]12 2356517755 SWEZMQZVOMKDJW-OQQFKDRJSA-N 390.476 3.254 0 1 GGAF CC(=O)OC[C@]12C(CO)=CCC[C@@H]1[C@](C)(CCc1ccoc1)[C@@H](C)C[C@H]2O 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CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccc(O)cc2)NC(=S)N1 299867711 YMIRBIKGVVYPMY-MRXNPFEDSA-N 396.497 3.433 0 1 GGAF C[C@H](Cc1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1 653746703 QJBLCHBIHYCOJP-GFCCVEGCSA-N 381.823 3.222 0 1 GGAF C[C@@]1(c2ccc(C(=O)O)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585804 GLUUCSVUGNAAFZ-UWJYYQICSA-N 377.352 3.362 0 1 GGAF COC(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2n1 587204783 LKSXQJXXEVLAOX-ZDUSSCGKSA-N 376.457 3.226 0 1 GGAF O=C1c2ccc(O)cc2O[C@](c2cccs2)(C(O)O)[C@@H]1c1ccc(F)cc1 587371329 BYRFTJIUIVFBMP-XLIONFOSSA-N 386.400 3.158 0 1 GGAF COc1ccc2c(c1)NC(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587793274 NDQDXRXUBUWYIX-YYSFKGJASA-N 391.240 3.327 0 1 GGAF COC(=O)C1=CN(C)C(C)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587758325 IMQSTEBTAMTFNW-YPMLDQLKSA-N 395.272 3.224 0 1 GGAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(N)ncnc4[nH]3)cc2)cc1F 587147819 SGPIYSLPGYAMLF-UHFFFAOYSA-N 390.422 3.082 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCOC(C)=O)c(OC)c1)[C@@H](C2)C3=O 587439555 BNHBBTNOUQPRCS-AOMKIAJQSA-N 398.411 3.134 0 1 GGAF O=C(CCn1c(O)nc2ccccc2c1=O)n1nc2cc1Oc1ccc(F)cc1-2 587874873 DYDCGSKHNJKRDG-UHFFFAOYSA-N 392.346 2.941 0 1 GGAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2N)C1 586955130 KMCOVDIGPZYRSE-UHFFFAOYSA-N 396.516 3.009 0 1 GGAF Cc1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2c1 587129735 ZZXXWTZYPVGYPQ-UHFFFAOYSA-N 375.354 3.295 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(N)=O)cc2)N1 587751905 ZYXKMAWWXOHENW-XTZNXHDOSA-N 393.256 3.076 0 1 GGAF COC(=O)[C@@H]1CSC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587370312 AGRYUJYHPVEGRR-RIFZZMRRSA-N 388.416 3.165 0 1 GGAF CCOC(=O)COc1cccc([C@@]2(C)N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1 963640495 WECXACQSIUUEPU-NPMXOYFQSA-N 399.487 3.443 0 1 GGAF O=C(Nc1ccc(N2CCOCC2)cc1)c1scnc1CCc1cnoc1 14946556 HHPZWHLDBBZKPQ-UHFFFAOYSA-N 384.461 3.005 0 1 GGAF CC1(C)OC[C@@H](CNC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)O1 166830954 WTXMXEQQNFCGJR-LJQANCHMSA-N 395.459 3.116 0 1 GGAF O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(OCCCc2nn[nH]n2)cc1 207697719 QZFJNOUHWJCUDP-MHWRWJLKSA-N 381.823 3.357 0 1 GGAF COc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2F)c2ccccc12 427351644 GBWOMBQVUCUIGY-UHFFFAOYSA-N 375.377 3.487 0 1 GGAF CC[C@@H](C)N(CCCNC(=O)c1nc(-c2cccnc2)no1)Cc1ccco1 9405791 KFDWIHQSMBFLPW-OAHLLOKOSA-N 383.452 3.145 0 1 GGAF O[C@@H](c1ccc(Cl)cc1Cl)[C@@](O)(Cn1cncn1)c1ccc(F)cc1 26013653 OUFWMMBYXWYRDP-DLBZAZTESA-N 382.222 3.345 0 1 GGAF O=C(NC(=O)c1ccccc1)NC1CCN(CCc2c[nH]c3ccccc23)CC1 27996753 CAPUVWQEBYLSQB-UHFFFAOYSA-N 390.487 3.314 0 1 GGAF COc1ccc2c(Nc3cn(C)cn3)nc(N[C@@H](C)c3ncc(F)cn3)nc2c1 68204705 XIUNXTXIMGZQFU-NSHDSACASA-N 394.414 3.218 0 1 GGAF Cc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1OCCO 113826200 GCWJCJSCGSLPQM-HXUWFJFHSA-N 380.492 3.319 0 1 GGAF CO[C@@H]1CC(=O)[C@]2(CC(=O)O[C@@H]2C=C(C)CCC=C(C)C)C[C@H]1OC(C)=O 2356731766 YGWPHAWAXUILGD-VGUOSERISA-N 378.465 3.291 0 1 GGAF C[C@](O)(CS(=O)(=O)c1ccccc1)c1nc(-c2ccc(F)c(Cl)c2)no1 73310777 XLHNPIQRVNXXFJ-KRWDZBQOSA-N 396.827 3.211 0 1 GGAF CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C/C3CCCCC3)C(=O)O2)cc1 40423189 UHXBXJPUNYNCPB-VWOYCULZSA-N 387.476 3.094 0 1 GGAF Cc1cccc(C)c1NCC(=O)N1CCCN(Cc2nc3ccccc3[nH]2)CC1 49070734 SUUJNQQYCXFPAT-UHFFFAOYSA-N 391.519 3.326 0 1 GGAF Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1F 198913531 FHOIEUPAOMOBKD-UHFFFAOYSA-N 391.449 3.212 0 1 GGAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 253638860 CODRVQGKDHKTDZ-XSDIEEQYSA-N 379.456 3.438 0 1 GGAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 586927076 TWYUXLAFCZXMOI-UHFFFAOYSA-N 398.271 3.484 0 1 GGAF CCOC(=O)[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585579 DRRQCRQLAYJGFD-PGRDOPGGSA-N 391.379 3.207 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)CCC(=O)O)cc1)[C@@H](C2)C3=O 587432408 LONMPCJIYQIBTM-KSFYIVLOSA-N 395.411 3.161 0 1 GGAF Oc1nc(S)nc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc12 587158715 KRWGCUYFGNZWRD-UHFFFAOYSA-N 378.392 3.492 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2c1 587243184 CTRBPYRCIOANKO-SEYXRHQNSA-N 398.488 3.245 0 1 GGAF Cc1nc(=N)[nH]cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335086 KODJGRPJIZPBNS-WIYYLYMNSA-N 379.391 3.317 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(Cn1nc(C)c(Br)c1C)[C@@H](C2)C3=O 587414802 XORFQTIJALHIKJ-SCLBCKFNSA-N 391.265 3.477 0 1 GGAF C[C@]1(c2cc3ccccc3oc2=O)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963216739 AGPHNDIJDCRONN-WMZHIEFXSA-N 386.407 3.204 0 1 GGAF C[C@]1(CC(=O)c2ccccc2O)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963236950 SWZLBAPDNVEVCU-PGRDOPGGSA-N 376.412 3.028 0 1 GGAF COc1cc2c(cc1[C@@H]1N[C@@H](C(=O)C(F)(F)F)Cc3ccccc31)OCO2 962765132 MDENVVIKSIAXBL-CXAGYDPISA-N 379.334 3.159 0 1 GGAF CO[C@H]1C[C@](C)(NC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](C)O1 13358012 WMLHIOCEEAQRMP-YHFKFMBFSA-N 383.444 3.182 0 1 GGAF CCCn1c(=O)c2[nH]c(-c3ccc(Cl)cc3OC)nc2n(CCC)c1=O 13473641 SENICTHRDKBJSR-UHFFFAOYSA-N 376.844 3.035 0 1 GGAF CCOC(=O)Cn1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21 13737490 CGNSCCFDOWYWKT-UWJYYQICSA-N 395.484 3.186 0 1 GGAF CCCCC[C@H](C)NC(=O)C1=NO[C@H](C(O)(C(F)(F)F)C(F)(F)F)C1 13972721 JIKHYYKSXSXRDY-WPRPVWTQSA-N 378.313 3.072 0 1 GGAF Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCC[C@H](O)CO)c3)o2)cc1 169353057 SEBIIKWBOVELKW-SFHVURJKSA-N 381.432 3.174 0 1 GGAF CCCCCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 169362650 ZIKBTZZAYKAEPP-XTFGJOLRSA-N 397.515 3.309 0 1 GGAF CC(=O)Nc1nc(-c2ccc3[nH]cc(-c4cncc(OC(C)C)n4)c3c2)no1 204761594 JIOSUAVWGLTSAP-UHFFFAOYSA-N 378.392 3.421 0 1 GGAF CC=C(C)C(=O)OC(C)(C)[C@H]1Cc2cc3cc(CCCO)c(=O)oc3cc2O1 2356312711 GJFRAQRTGDAKHH-LJQANCHMSA-N 386.444 3.309 0 1 GGAF Cc1cccc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)C[C@H]2C)c1 4057180 RHXXNDNFBRJHKP-GOSISDBHSA-N 377.488 3.473 0 3 GGAF COc1ccccc1CNC(=O)CCC(=O)N1C[C@@H]2CCCN2c2ccccc21 6914748 SHNGXGKVGMIIEB-SFHVURJKSA-N 393.487 3.107 0 1 GGAF CC1(C)c2cc(C(=O)NC3COC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21 114801008 WATKBXHZFAMGKW-UHFFFAOYSA-N 385.423 3.038 0 1 GGAF CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCc1cccc(CO)c1 29340653 XNEGTXKJUFNNJJ-QMMLZNLJSA-N 392.584 3.159 0 1 GGAF CN(Cc1ccccc1Cl)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 28572181 ILYRRCMHJGURAS-LJQANCHMSA-N 392.837 3.230 0 1 GGAF CCCCN1C(=O)[C@H](CC(=O)NC2CC2)CC(C(=O)N(C(C)C)C(C)C)=C1C 61921684 XAIBGTLLSKDPBE-KRWDZBQOSA-N 391.556 3.223 0 3 GGAF NCCNC(=O)c1cc2c([nH]c3ccccc32)c(C(=O)c2c[nH]c3ccccc23)n1 73141052 JVPBBUDMPAAJHH-UHFFFAOYSA-N 397.438 3.117 0 1 GGAF Nc1nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c2ccsc2n1 45366760 YLZIECYQQGGVHO-UHFFFAOYSA-N 388.884 3.281 0 1 GGAF CCCc1cc(F)c(N)c2nc(-c3ccc(P(=O)(O)O)o3)n(CC(C)C)c12 45284634 LMGLIYXPGLHZAX-UHFFFAOYSA-N 395.371 3.429 0 1 GGAF CC(=O)c1cc(OCc2ccc(F)cc2)c(=O)n2c1CC[C@H]2C(=O)n1cccc1 40917933 REDORWJMNQHJFN-IBGZPJMESA-N 394.402 3.398 0 1 GGAF CCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 95867967 HBPARTOBZDTARE-MQSCRBSSSA-N 396.531 3.236 0 1 GGAF COc1ccc(CNCCCN2CCN(Cc3ccccc3)CC2)cc1OC 237378971 DLHUNBURFRYDHH-UHFFFAOYSA-N 383.536 3.001 0 1 GGAF Brc1cccc(CN[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@@H]3C3(OCCO3)[C@@H]3[C@H]5[C@@H]4[C@@H]23)c1 261180684 WAUBOCWMTBAXMK-WGQGPVNXSA-N 388.305 3.038 0 1 GGAF COC[C@@]12C[C@@H](CC1=O)[C@@H]1[C@H]2ON2c3ccccc3C(=O)[C@]12c1ccccc1 299814372 FLDNSLQVGNOXOV-CPPLHCQESA-N 375.424 3.140 0 1 GGAF CC(C)[C@@H](C)c1[nH]c2ccccc2c1CC(P(=O)(O)O)P(=O)(O)O 299856366 BPHHMBIKIGOQPS-SNVBAGLBSA-N 375.298 3.151 0 1 GGAF COc1ccc(OCc2cn(Cc3cc(=O)oc4cc(C)ccc34)nn2)cc1 653775541 RHLGMYMMQMMNTB-UHFFFAOYSA-N 377.400 3.329 0 1 GGAF CNC[C@@H](CO)N1CCN(CCc2ccc(C)cc2)[C@H](CC2CCCCC2)C1 653918463 BWSKHUCURLRMJI-RPWUZVMVSA-N 387.612 3.074 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CCCN(C(C)=O)C1 587863505 MAYXGUPTGIEBEJ-CYBMUJFWSA-N 395.381 3.476 0 1 GGAF COc1ccccc1[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587807290 MDKJZWPIXOAOGD-MLCYQJTMSA-N 394.240 3.459 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c3oc(=N)[nH]c3c2)N1 587749027 ZQQCXPZABDIFAZ-MLXNANBUSA-N 392.228 3.471 0 1 GGAF 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COc1ccc(N2N=C(C)[C@H](C(=O)Nc3cccc(C(C)(F)F)c3)C2=O)cn1 1857539063 QWGHASDPDLQLAP-MRXNPFEDSA-N 388.374 3.179 0 1 GGAF O=C(CN1CCC[C@H](Cc2ccccc2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 1857543149 QYWDZTYCVJVNMJ-DNQXCXABSA-N 391.559 3.332 0 1 GGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NC[C@H](O)CC)c1 4049361 HFAAIRIRBCRQMA-QFUCXCTJSA-N 382.460 3.064 0 1 GGAF CCCC[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)C(=C6OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 2356402322 DTVYAHOULQCSMS-HODGBDMDSA-N 387.476 3.090 0 1 GGAF CC(C)(C)CC(=O)N[C@@H]1[C@@H](c2cccs2)N(C(=O)C2CCC2)CC[C@]1(C)O 2356298261 GQWGXRCXLHMSJV-OPYAIIAOSA-N 392.565 3.494 0 1 GGAF O=C(NC[C@@H]1CCCO1)c1onc(CSc2ccc(Cl)cc2)c1C(=O)O 8672411 CUBJVOHKTWBMKC-NSHDSACASA-N 396.852 3.227 0 3 GGAF C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4NC[C@H]32)CC1 22933233 HCMWMLSNHRNVSJ-BASMTRSQSA-N 388.515 3.162 0 1 GGAF COc1ccc(C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 28571544 AMZMREZQJXXMIB-NRFANRHFSA-N 385.423 3.241 0 1 GGAF O=C(N[C@@H]1C[C@H]1c1ccccc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28523801 VBZKKCQAHSFQIC-DXBBTUNJSA-N 377.488 3.369 0 1 GGAF Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(C(=O)N[C@@H](C)CO)s3)n2)c1 39194443 PEGXADGTBNRSGV-ZDUSSCGKSA-N 397.504 3.380 0 1 GGAF in-vivo N#CN=[S@@](=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccncc1 1911583065 UKRAFBUIXXPTFI-HHHXNRCGSA-N 381.461 3.104 0 1 GGAF CC(=O)O[C@H]1C[C@@H]2[C@H]([C@H](O)[C@]3(C=COC3=O)[C@@H]2C)[C@@]2(C)CCCC(C)(C)[C@H]12 40848279 WBLPLQSOHQJUTK-QQADKGKESA-N 376.493 3.454 0 1 GGAF CC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2CC1CC1 95796560 MTVJASOJIYMHQI-PKTZIBPZSA-N 394.490 3.264 0 1 GGAF CNC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 96286039 NPWUBXHYMWVDKN-OAHLLOKOSA-N 378.475 3.119 0 1 GGAF COC1=CC(=O)C[C@@H](C)[C@@]12Oc1c(Cl)c(OC)c(Cl)c(OC)c1C2=O 32177722 VOYKFNUPFUJNKL-IWEMQMMOSA-N 387.215 3.464 0 1 GGAF biogenic C[C@@H]1CN(c2cccc(F)c2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 473104885 PEEXJDXBNCPWGK-LLVKDONJSA-N 388.349 3.496 0 1 GGAF COc1ccc(C[C@H](C)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1OC 587927440 UOKFAVXHHGKQMC-NSHDSACASA-N 376.434 3.173 0 1 GGAF CCOC(=O)c1n[nH]cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587789163 AHJSTUGXWNQHHU-XLKFXECMSA-N 382.233 3.112 0 1 GGAF O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccn2N1 587342015 YGDVYBHXBAGBIL-CTNGQTDRSA-N 378.359 3.061 0 1 GGAF COC(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587588714 RRMHRLZNMIKWNH-XLIONFOSSA-N 377.352 3.277 0 1 GGAF CN1C(=O)[C@@H](NC(=O)Nc2cccnc2)N=C(c2ccccc2)c2ccccc21 13733017 WOAOPOJFRPETIS-HXUWFJFHSA-N 385.427 3.043 0 1 GGAF COc1ccc(Cc2nc(N)n(C)c2Cc2ccc(OC)c(OC)c2)cc1OC 169350612 JFNOFLXWVDJNHE-UHFFFAOYSA-N 397.475 3.218 0 1 GGAF CCCCC[C@@H]1c2c(nc3c(c2N)CCCC3)-n2c(=O)c3ccccc3c(=O)n21 1857647986 MSDRFBAYPPQQCX-GOSISDBHSA-N 390.487 3.492 0 1 GGAF FC(F)(F)Oc1ccccc1Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1 225937971 DSHWUABDXNNPOI-UHFFFAOYSA-N 387.325 3.072 0 1 GGAF COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@H]2NCc2cccc(C(F)(F)F)c2)cc1 2356313299 YZAGYGFGECBJBH-CADBVGFASA-N 381.394 3.082 0 1 GGAF COC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@@H]1N2C 6482573 SIIICDNNMDMWCI-APIJFGDWSA-N 385.245 3.031 0 1 GGAF Cc1ccccc1CS(=O)(=O)CCC(=O)NCc1ccc(F)cc1Cl 6789584 WWEUHUSGVMDCMZ-UHFFFAOYSA-N 383.872 3.409 0 3 GGAF COc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)cn1 2356300496 WZJPGZRFNOFKGH-VQIMIIECSA-N 384.455 3.322 0 1 GGAF CCc1ccccc1NC(=O)CN1C(=O)[C@@H]2CCCN2c2ncc(Cl)cc21 20388195 QUECLWJASNJNRZ-INIZCTEOSA-N 384.867 3.252 0 3 GGAF NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)[C@H]2C[C@H]2O1 213840371 QRSZQDAJIBKJOD-WBHUJUFNSA-N 392.793 3.025 0 1 GGAF COc1cc([C@@H]2Oc3c(OC)cc([C@H](O)[C@@H](C)O)cc3[C@H]2C)cc(O)c1OC 13340397 QUBMZLUMOFMRIA-LAARNHDHSA-N 390.432 3.069 0 1 GGAF biogenic CCCC(=O)Oc1c(OC)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12 14645217 CUVUBURTEQFLLZ-UHFFFAOYSA-N 386.356 3.291 0 1 GGAF biogenic O=c1[nH]c(CN2CC[C@H](O)C2)nc2c1sc1ccc(-c3ccsc3)cc12 45287395 JZJFOEZBTQXBKQ-ZDUSSCGKSA-N 383.498 3.433 0 1 GGAF C[C@H]1CCCN(c2ccnc(-c3c[nH]c4ccc(-c5nnc(N)o5)cc34)n2)C1 221710415 YXBOQTUJWONSJX-LBPRGKRZSA-N 375.436 3.493 0 1 GGAF Cc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(F)cc2)oc1C 82219683 QXBFQILZYACSNB-OAHLLOKOSA-N 395.438 3.256 0 1 GGAF CCCc1nc2c(NCc3cccc(Cl)c3)ncnc2n1CCNC(C)=O 82181361 ZNYDPAYPWMUXKM-UHFFFAOYSA-N 386.887 3.180 0 1 GGAF CN(C[C@@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccc(F)c2)cc1)C(=O)CC1CC1 95871932 FUGXLABWRWCWSI-QZNHQXDQSA-N 382.479 3.168 0 1 GGAF COc1ccc(/C=C/S(=O)(=O)NCC(C)C)c(CNC(=O)OC(C)(C)C)c1 96019098 FYHHGJBZWQUZBK-MDZDMXLPSA-N 398.525 3.266 0 3 GGAF Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NCc3ccccn3)nc21 653803267 GDPNFRQTIUPZRF-UHFFFAOYSA-N 395.369 3.406 0 1 GGAF CC(C)Oc1ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1 587203771 UDCNYFUVRIJRNP-SFHVURJKSA-N 397.431 3.272 0 1 GGAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c(F)cnc(Br)c2[nH]1 587052549 USHXISRYWVZDRZ-SECBINFHSA-N 385.624 3.461 0 1 GGAF CSc1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(=N)[nH]1 587610221 BISAOVXEZBEOLH-FOIQADDNSA-N 395.440 3.194 0 1 GGAF COC(=O)c1cc(Br)c2[nH]c(-c3cc(N)cc(C(=O)O)c3)nc2c1 587248659 ALJQYJWZMDTTEV-UHFFFAOYSA-N 390.193 3.059 0 1 GGAF COc1cccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12 586955653 RDFYEIFIMACQCK-UHFFFAOYSA-N 377.853 3.286 0 1 GGAF COC(=O)C(=O)C[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810693 VQTNMUVJSZJPFN-BTDLBPIBSA-N 386.261 3.106 0 1 GGAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc3c(c2)OCCO3)cc1OC 685935792 SKEGIGMSBPKQTB-DLBZAZTESA-N 384.428 3.049 0 1 GGAF biogenic,in-vitro CCN1CCN(c2ccc(S(=O)(=O)Oc3cccc(Cl)c3)cc2)C1=O 1772650384 FHHOHSLWUFMTMX-UHFFFAOYSA-N 380.853 3.370 0 1 GGAF CCNC(=O)Nc1ccc(-c2cc(N3CCOCC3)c3ncn(CC)c3n2)cc1 1772647265 UWRBMCHYZBNDDR-UHFFFAOYSA-N 394.479 3.096 0 1 GGAF CCNC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@@H]1Cc1ccccc1 206043920 DCFKNGWQYNEZRM-IHFIDZABSA-N 383.536 3.488 0 3 GGAF CO[C@@H](c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 207082139 OSRKPRHWTFIMHG-KRWDZBQOSA-N 397.928 3.468 0 1 GGAF OCCNc1nccc(-c2sc(C3CCNCC3)nc2-c2ccc(F)cc2)n1 1857587332 UWOWTJZXHZSAAA-UHFFFAOYSA-N 399.495 3.277 0 1 GGAF CCn1c2c(c(=O)n(CC3CCCCC3)c1=O)CN(Cc1ccccc1)CC2 1857605070 STQBMRZOGSSHQS-UHFFFAOYSA-N 381.520 3.169 0 1 GGAF COc1cc(CC[C@H](O)C[C@@H](O)CCc2ccc(O)c(C)c2)cc(OC)c1O 2356393959 YSEDKGANMFJHLV-ROUUACIJSA-N 390.476 3.101 0 1 GGAF COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 3814702 NAWWYLUQZOLWBT-UHFFFAOYSA-N 397.378 3.214 0 1 GGAF C[C@H]1CC=C(Nc2ccccc2Br)c2ncc(C(=O)O)c(=O)n21 100789402 FNBWSNRFOPCIHH-VIFPVBQESA-N 376.210 3.122 0 1 GGAF CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)n2c1nc1c(O)cccc1c2=O 2356427642 IHICXZWKNHGSOP-OWQGQXMQSA-N 377.444 3.103 0 1 GGAF Cc1cc(/C=C/C(=O)O)cc(C)c1NC(=O)c1cccc(NC2=NCCCN2)c1 29247840 MLEGBHJXMACOKD-BQYQJAHWSA-N 392.459 3.415 0 1 GGAF O=C1NC[C@@H](c2ccc(Cl)cc2)N1S(=O)(=O)c1ccc2c(c1)CCC2 26572585 RIRXAZJCMGYECL-KRWDZBQOSA-N 376.865 3.284 0 1 GGAF Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@H]3CNC2CCOCC2)n1 2356834573 KCRDZSBFTTVRLG-WDSOQIARSA-N 398.576 3.460 0 1 GGAF O=C1COc2ccc(NC(=O)C3CCN(c4ccc(F)c(F)c4)CC3)cc2N1 35859557 NKFWROJJURUAPW-UHFFFAOYSA-N 387.386 3.151 0 1 GGAF FC(F)(F)Oc1cccc(-n2nnc3ccc(NC4CCOCC4)nc32)c1 73280683 UELXFWTWVLOSEX-UHFFFAOYSA-N 379.342 3.305 0 1 GGAF COc1cc2c(cc1OC)CN(CCCN1CCc3ccccc3C1=O)CC2 72106079 SCOJHGYGZOUAPK-UHFFFAOYSA-N 380.488 3.151 0 1 GGAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@H]1CCCC[C@@H]1O 1911572072 QBGXAQUTKHIMNE-QWRGUYRKSA-N 394.357 3.091 0 1 GGAF C[C@@H]1CC[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N2[C@H]1c1ccc(Br)cc1 253993208 OPKHASDRVSLFHV-RAEVTNRLSA-N 377.282 3.122 0 1 GGAF O=Cc1ccc(OCC(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1 299863543 PKCLOOHMXQWRMV-UHFFFAOYSA-N 383.835 3.308 0 1 GGAF C=CN1CC[C@H]([C@@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587396608 UNNAAGSNNSVIRG-MBSDFSHPSA-N 392.455 3.439 0 1 GGAF COC(=O)C1=CN(C)C(C)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587761496 UWKFYKCUGYEQEO-MLCYQJTMSA-N 395.272 3.224 0 1 GGAF Nc1cc(C(=O)O)ccc1Cc1nc2cccc(I)c2[nH]1 587250257 RINLAZIAHAYFNR-UHFFFAOYSA-N 393.184 3.039 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(CCCN3C(=O)C(CC)=C(C)N[C@@H]31)CC2=O 587487198 VSHJBOSIIVLIBC-VXKWHMMOSA-N 384.476 3.284 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC(=O)NCC1CC1)[C@@H](C2)C3=O 587433518 RVURBICIMCJVCG-SBUREZEXSA-N 393.439 3.089 0 1 GGAF CCOC(=O)c1ccc2nc(Cc3nn(CC)cc3Br)[nH]c2c1 587000819 RNWHYXWQFPXIPG-UHFFFAOYSA-N 377.242 3.309 0 1 GGAF COc1cccc2c3c(cnc12)CCN[C@@]31c2cc(Cl)ccc2OC[C@H]1N 963041913 ZSCZPNKHGAVPFC-WIYYLYMNSA-N 381.863 3.006 0 1 GGAF COc1cc([C@@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(F)cc1O 962730341 NIKVGSVKGOGCRH-KSSFIOAISA-N 383.341 3.449 0 1 GGAF COc1cccc(CN2C[C@H](C(=O)NCc3ccc(C)c(F)c3)CCC2=O)c1 12073211 QYEMZIMBLLNIMG-GOSISDBHSA-N 384.451 3.198 0 3 GGAF CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC(C)C)cc2)CC1 13444688 LESFXMYDPQCDFJ-UHFFFAOYSA-N 376.497 3.458 0 1 GGAF Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCO3 13488022 LCGBVEYGRZPQEM-UYAOXDASSA-N 377.488 3.302 0 1 GGAF CC(C)C(C/C=C1/C[C@](CO)(COC(=O)c2ccc(O)cc2)OC1=O)C(C)C 13704181 YQMGTUAKPTUCGH-HBDAFXBISA-N 390.476 3.472 0 1 GGAF CCCn1c(=O)c2[nH]c([C@@H](c3ccc(OC)cc3)C3CC3)nc2n(CCC)c1=O 13861088 KCKCLVOXBVFOGG-QGZVFWFLSA-N 396.491 3.257 0 1 GGAF COc1ccc2c(c1)[C@@H](O)C(=O)[C@H](c1ccc(OC)c(Br)c1)O2 169690317 VNARNCLQMGHYSY-WBVHZDCISA-N 379.206 3.203 0 1 GGAF CCN1CCN(c2cc(Nc3ncc(-c4ccnc(C)c4)s3)nc(C)n2)CC1 1857552198 NECAAKFLCOQNCQ-UHFFFAOYSA-N 395.536 3.497 0 1 GGAF CN(C)CCNC(=O)c1ccc(-c2cn3c(-c4ccsc4)cnc3cn2)cc1 1857620754 ZBTGTLCKBPKRPG-UHFFFAOYSA-N 391.500 3.416 0 1 GGAF O=c1nc(C(F)(F)F)ccn1C[C@H]1C[N@@]1Cc1cc2ccccc2nc1Cl 1857742862 SSSKQXYXMURXBW-WHDAMIPWSA-N 394.784 3.348 0 1 GGAF Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(N)c4)CC3)cccc2n1 22933646 NTWRIBWXGNMFKE-UHFFFAOYSA-N 392.503 3.028 0 1 GGAF CC(=O)c1ccc(NC(=O)CSc2n[nH]c3c4ccccc4nc-3n2)cc1 104042444 YPTDTSWLXJYESF-UHFFFAOYSA-N 377.429 3.391 0 1 GGAF Cn1cnc2cc(-c3ccc(C4(O)CCCC4)cc3)nc(NC3CC3)c2c1=O 115626178 YNIMNAXSYILWCZ-UHFFFAOYSA-N 376.460 3.331 0 1 GGAF COc1cc([C@@H]2[C@H]3Nc4ccccc4[C@@H]3C[C@@H]3CCC(=O)N32)cc(OC)c1O 26488036 MZSKXOJALGTISZ-LUNSWOAPSA-N 380.444 3.423 0 1 GGAF O=C(Nc1cccnn1)N1CCN(c2ccnc(-c3ccc(F)cc3F)c2)CC1 103267355 WAAXNSQPUKLPGL-UHFFFAOYSA-N 396.401 3.171 0 1 GGAF CCCCC[C@H](O)/C=C/[C@]1(F)[C@@H](O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)OC 26011688 SAPVVWIRDUFLIQ-YQOSLVRASA-N 386.504 3.223 0 1 GGAF COc1ccc(OC)c(NC(=O)[C@]2(C)CCN2Cc2cccc(OC)c2F)c1 61903637 YWVAZMZYERRACM-NRFANRHFSA-N 388.439 3.455 0 3 GGAF CC(=O)OC[C@]1(O)OC[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 118932714 NMXQNNZLXKLLEI-UGPWVVPWSA-N 390.520 3.188 0 1 GGAF CN(C)C(=O)N(C)C[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 26187867 UNNYDUVWIHPBJN-NRFANRHFSA-N 379.460 3.461 0 1 GGAF O=C(c1cccc2c(CN3CCCCC3)c[nH]c12)N1CCN(C2CCC2)CC1 64527994 OSMKWVYIBMRGBU-UHFFFAOYSA-N 380.536 3.464 0 1 GGAF C[C@H](C(=O)NC(C)(C)C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@@H]2[C@H]1O 2356833442 KGCTXUWYGUPIRS-NZPJZNFBSA-N 392.584 3.255 0 1 GGAF COC[C@H](Cc1ccc2c(c1)OCO2)[C@H](COC)Cc1ccc2c(c1)OCO2 14437717 NQFDLHKMNTXMAG-ROUUACIJSA-N 386.444 3.454 0 1 GGAF biogenic CC(C)(C)OC(=O)NCCCn1ccc(=O)c2c1ncn2Cc1ccccc1 49808474 FQLNKFSRNDMUCE-UHFFFAOYSA-N 382.464 3.161 0 1 GGAF CNC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21 49035799 MVDUOOINMKHGMU-AWEZNQCLSA-N 376.453 3.007 0 1 GGAF COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc(OC)c(OC)cc32)c1 45495670 FSBPWPXTNUTYCE-IBGZPJMESA-N 383.400 3.089 0 1 GGAF CC(=O)C[C@]1(O)C(=O)c2cc3c(c4c(C)cc(O)c(c24)C1=O)O[C@@H](C)C3(C)C 40835425 WQZQJCVZIJHWNU-SAHAZLINSA-N 382.412 3.002 0 1 GGAF COc1cc(OC)cc([C@@H]2C3=C(Nc4cc5c(cc42)OCO5)C(C)(C)NC3=O)c1 40421443 RCBKYNAJISDUQU-SFHVURJKSA-N 394.427 3.152 0 1 GGAF COc1ccc2c(OCc3nnc4ccc(-c5cccc(=O)[nH]5)cn34)ccnc2c1 139800702 KQHFGWJQEIPNKJ-UHFFFAOYSA-N 399.410 3.220 0 1 GGAF COc1cc(C(C)=O)ccc1OCCCN1CCN(C(=O)c2ccccc2)CC1 40640952 ZAQOVNJZVXCSRY-UHFFFAOYSA-N 396.487 3.125 0 1 GGAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(Cc4ccc(F)cc4)C[C@H]23)cc1 95796915 HFXWOQOWUWFQKI-ZMJHDGGFSA-N 380.463 3.030 0 1 GGAF O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cccc(F)c1 95796594 TWVMRGSVCHLTGK-JTHBVZDNSA-N 394.490 3.167 0 1 GGAF COc1cccc(NC(=O)N2[C@H](CO)[C@H](c3ccccc3)[C@H]2CNCC(C)C)c1 95895975 YWPBOLYUOYTFKH-YPAWHYETSA-N 397.519 3.302 0 1 GGAF CCC[C@H](Sc1nc2ccc(OCC)cc2s1)C(=O)NS(C)(=O)=O 95574826 WVBNWMVLFVQWGO-LBPRGKRZSA-N 388.536 3.032 0 1 GGAF COc1ccc(S(=O)(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)O)C[C@H]2C(C)C)cc1 30882170 DSYMSPSHRBBEHV-BXWFABGCSA-N 395.521 3.303 0 1 GGAF biogenic O=C(C[C@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O)c1ccc(F)cc1 473082214 GKZIMGWAORBJRO-QHCPKHFHSA-N 386.382 3.347 0 1 GGAF COC(=O)c1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587852990 KAYHPIFSLDVSDU-UHLUBPPHSA-N 385.258 3.455 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(/C=C/C(=O)O)=COc2ccc(F)cc21 587384548 LYLORDVAWUFDOG-RHRNASEZSA-N 381.359 3.494 0 1 GGAF COC(=O)c1cc2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2cc1OC 587090901 BIVHXQAJOOCUHQ-UHFFFAOYSA-N 381.310 3.361 0 1 GGAF CN(C)/C=C/[C@]1(c2ccn(C)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582577 PZBPBBULCGTGEG-SQGWTHQZSA-N 391.427 3.058 0 1 GGAF N=c1[nH]c2c(s1)C[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587618704 PZFNLAQGDGUOIQ-UZLBHIALSA-N 380.425 3.151 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CN(C)CC[C@@]2(C)O)N1 587762776 UQKGSKYWCBWIDW-DGWLBADLSA-N 385.321 3.040 0 1 GGAF CN(C)C(=O)Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587197447 OYILBBXWQONVEL-UHFFFAOYSA-N 390.365 3.465 0 1 GGAF O=C(O)CC[C@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589777 QQPTVAHJLGQPMD-WIYYLYMNSA-N 379.368 3.442 0 1 GGAF NC(=O)c1cccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 587016578 CGHBKHNQQGQELZ-UHFFFAOYSA-N 386.440 3.499 0 1 GGAF COC(=O)[C@@H](C)[C@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441825 ITTRNNHZUVUXGB-LPCJOIQWSA-N 382.412 3.156 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@H](c3cccc(OCCn4ccnc4)c3)c3cccc1c32 963037884 YMODSGMKKASEKN-UZUQRXQVSA-N 388.471 3.105 0 1 GGAF CCOC(=O)[C@H](CCC(=O)OC)[C@]1(C)c2c(F)cccc2C[C@@H]2CCCN21 963104072 GZQTWQJHFLNYPR-CKJXQJPGSA-N 377.456 3.194 0 1 GGAF Cc1cc2c(cc1F)[C@](c1nnc3c(Cl)nccn13)(C(F)(F)F)NCC2 962303077 UMCWSGNNURXDCN-HNNXBMFYSA-N 385.752 3.177 0 1 GGAF CC(C)(C)OC(=O)NCCC[n+]1c(N)n(Cc2ccccc2)c2ccccc21 13560580 ZPMDOZKCKILCNR-UHFFFAOYSA-O 381.500 3.474 0 1 GGAF O=C(C[C@@H](C(=O)NC1CCCCC1)N1CCOCC1)c1cccc2c1CCCC2 169333852 NFJPCELXYIPHHG-QFIPXVFZSA-N 398.547 3.288 0 1 GGAF CC(=O)[C@]1(C(=O)Nc2nccs2)CC(c2ccccc2C(F)(F)F)=NO1 203474291 VQNGCYJEXKWYJN-HNNXBMFYSA-N 383.351 3.253 0 3 GGAF COc1ccc(CCNc2c(-c3[nH]cnc3C)nc3cnccn23)cc1OC 1857587233 NUTJKMKOSJKXRQ-UHFFFAOYSA-N 378.436 3.100 0 1 GGAF N=c1ncc2cc(-c3c(Cl)cccc3Cl)c(N3CC[C@H](CO)C3)nc2[nH]1 1857606814 MHYOCBRKSCIZIF-JTQLQIEISA-N 390.274 3.230 0 1 GGAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 767989 KEOIJLXDGIJWID-DJKXOVBDSA-N 385.895 3.498 0 1 GGAF C[C@@H](C(=O)NCCc1ccc(Cl)cc1)n1c(=O)c2cccn2c2cccnc21 6797340 YQSAPWDLPQFBDE-AWEZNQCLSA-N 394.862 3.223 0 3 GGAF CCN[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 101802836 PRNCBSPDFIBAKQ-YOWGUQMCSA-N 399.466 3.283 0 1 GGAF CC(=CC(=O)OC(CO)CO)CC[C@]1(C)[C@H](C)[C@H](O)C[C@@]2(C)C(C)=CCC[C@H]12 2356629889 SYTMXWLCUXDMOA-HQDNEAKPSA-N 394.552 3.379 0 1 GGAF COc1oc(C=C[C@](C)(O)CC[C@@H](OC)C(C)=C[C@@H](C)O)c(C)c(=O)c1C 2356839558 LVQGAOXDSKNQRU-SOIKWTOOSA-N 380.481 3.152 0 1 GGAF CN(C(=O)OCc1ccccc1)[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O 2356865677 WCWQFBKXPIYQTP-OAHLLOKOSA-N 380.441 3.013 0 1 GGAF CN1CCc2c(C(F)(F)F)nn(-c3ccc(CN4CCCC4=O)cc3)c2C1 66101802 ZIPGXLPLMWBESM-UHFFFAOYSA-N 378.398 3.001 0 1 GGAF CC(=O)Nc1ccc(CN2C[C@@]3(CC(C)(C)Oc4ccccc43)OCC2=O)cc1 35079522 HOUTUEHPWSYERY-HSZRJFAPSA-N 394.471 3.460 0 1 GGAF CN1C(=O)[C@@](c2ccsc2)(c2ccc(F)c(-c3cccnc3F)c2)N=C1N 72183186 JCEVTYZGXQGFEM-IBGZPJMESA-N 384.411 3.119 0 1 GGAF Cc1sc2nc(SC3CCCCC3)n(NS(C)(=O)=O)c(=O)c2c1C 35030632 ZFAOOGRTRWQJEK-UHFFFAOYSA-N 387.552 3.003 0 1 GGAF O=C1N(CCCC(F)(F)F)c2ccccc2[C@]1(O)c1ccc2c(c1)OCO2 71341120 HSQLLHOPQIDVOL-LJQANCHMSA-N 379.334 3.340 0 1 GGAF COc1cc(C)cc2cc(-c3c(CO)c(C(C)(C)O)n4ncnc(N)c34)sc12 218070344 LBNJJAOYBCVITR-UHFFFAOYSA-N 398.488 3.230 0 1 GGAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CNC[C@H]1c1ccc(F)cc1 49110545 UEICCWGZYSXNNK-JKSUJKDBSA-N 385.826 3.262 0 1 GGAF Nc1cnc(-c2ccc(C3CCC3)c(OCCNc3ncccn3)c2F)cn1 224582232 IWCIDRRQSYDLMZ-UHFFFAOYSA-N 380.427 3.413 0 1 GGAF CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NCc4ccccn4)CO[C@@H]23)cc1 25407955 NWKCHIFESNJOHM-BQJUDKOJSA-N 397.475 3.078 0 1 GGAF biogenic COCC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1 96318656 XESIYKHUDOXYHW-UHFFFAOYSA-N 389.499 3.486 0 1 GGAF Nc1cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)ccc1C(=O)N1CCOCC1 95572493 QIJXDYYYEFPWGP-UHFFFAOYSA-N 399.454 3.347 0 1 GGAF O=C(NCCCOc1ccc2nc(O)ccc2c1)N(C1CC1)[C@H]1CC[C@H](O)CC1 299809911 UZISUVBKFQNLMW-IYARVYRRSA-N 399.491 3.187 0 1 GGAF COc1ccc([C@@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587805025 CUEKHAFRTLFLDN-XTZNXHDOSA-N 394.240 3.459 0 1 GGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(OC)cc(OC)c3[nH]2)c1 586929831 BAQBCTBBRJXCID-UHFFFAOYSA-N 389.477 3.278 0 1 GGAF COc1ncccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660135 OBXUCTYKCLEJPF-UHFFFAOYSA-N 375.359 3.295 0 1 GGAF COc1ccc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(F)c1 587150104 ZGZGZBJJMZYNBV-UHFFFAOYSA-N 379.395 3.361 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(S)nc2O)N1 587842076 DAAXUKOYRRYLNA-MLXNANBUSA-N 384.274 3.170 0 1 GGAF CNS(=O)(=O)c1ccc(CCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 586947467 ZOIWNJMJIXMEEY-UHFFFAOYSA-N 385.823 3.188 0 1 GGAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587118041 ZRVJVSAVYPVDPI-UHFFFAOYSA-N 378.763 3.039 0 1 GGAF Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963466382 CYDXPILJZHYEOO-UWJYYQICSA-N 395.434 3.331 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(c2ccccc2OCC)NCCc2cc(C)c(F)cc21 962294199 ATJTXBOTBFEWHC-QHCPKHFHSA-N 399.462 3.444 0 1 GGAF CC[C@H]1CN(c2cccc(Cl)c2)CCN1CCCn1nc2ccccn2c1=O 13782784 NXKQJTIEWHWYMT-SFHVURJKSA-N 399.926 3.140 0 1 GGAF COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc2c1OCO2 14589832 FHVJDYZMZCJFRZ-AFHBHXEDSA-N 384.384 3.228 0 1 GGAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NC[C@@H](O)CC 4049032 CWZDYUWDZKJWLI-SCWSEQNSSA-N 382.460 3.064 0 1 GGAF O=C(CN1C(=O)CN=C(c2ccccc2)c2ccccc21)NCCc1ccccc1 4972136 FHIIZQFQLVVFKS-UHFFFAOYSA-N 397.478 3.230 0 1 GGAF CC=CC=CC=CC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@]2(C)CCCC(C)(C)[C@@H]12 2356398560 VYUGROORELIDOB-KPUOSGPGSA-N 390.520 3.075 0 1 GGAF COc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCCCC2)n1 28824332 FSVBAERITFDIJL-UHFFFAOYSA-N 392.891 3.062 0 1 GGAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5n[nH]c(S(C)(=O)=O)c5C[C@@]43C)[C@@H]1CC[C@@H]2O 26186642 ZDVQIHHSZCHGCK-WQSUVQFWSA-N 392.565 3.132 0 1 GGAF CCCn1c(NCc2ccc(C(=O)O)cc2)nc2nc(C3CCCC3)[nH]c2c1=O 117370075 BBEXOOICMIUFDR-UHFFFAOYSA-N 395.463 3.498 0 1 GGAF C[C@@H]1C(=O)N(C(=O)C2C(C)(C)C2(C)C)[C@H]2CCN(C(=O)OCc3ccccc3)[C@@H]12 29480114 BECVLUDWCYQONT-XIRDDKMYSA-N 398.503 3.453 0 1 GGAF CCCCN1C[C@@H](COc2ccccc2)Oc2cccc(F)c2S1(=O)=O 61931236 FAXFOQNDTPNNQM-INIZCTEOSA-N 379.453 3.457 0 3 GGAF CC=C(C)C(=O)OC(C)(C)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(C)=O 2356727791 UGPGHYBHAGRUHW-RTBURBONSA-N 386.400 3.446 0 1 GGAF CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1C 72182030 UZNMCRBWAKHTDV-UHFFFAOYSA-N 390.440 3.414 0 1 GGAF CCn1ncc2c(NC3CCOCC3)c(C(=O)NCC3CCCCC3)cnc21 38937097 STXQMWLLDUVREN-UHFFFAOYSA-N 385.512 3.352 0 1 GGAF C[C@H]1CNc2c(NCC3CC3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 82211950 FAUOEIUHCBXHIJ-AWEZNQCLSA-N 376.460 3.020 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@H]1c1cccc(F)c1 95599394 XVEODGDZWKCSMP-SFHVURJKSA-N 393.411 3.200 0 3 GGAF O=C1N=c2ccccc2=C1C=C1C=CN(Cc2cccc(Br)c2)C=C1 377466647 SROROAWBHZEENT-UHFFFAOYSA-N 391.268 3.229 0 1 GGAF Cc1noc2nc(C3CC3)cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c12 587652673 YJEFWZAUZBOSQI-UHFFFAOYSA-N 380.791 3.460 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](c1ccncc1)([C@H]1CCCN(C)C1=O)CC2=O 587474176 FGSINCDOQLLVAJ-MBSDFSHPSA-N 394.471 3.469 0 1 GGAF COC(=O)c1cccc(NC(=O)C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587426909 AOXJFGSKHZDROE-ZHRRBRCNSA-N 395.411 3.017 0 1 GGAF Cc1cc(Cl)cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 586942865 RBBYFOFMFQOTAB-UHFFFAOYSA-N 385.276 3.094 0 1 GGAF O=C(CCc1nc2ccnc(Cl)c2[nH]1)Nc1nnc(-c2ccncc2)s1 587024086 NJHKVQMNXYOFGI-UHFFFAOYSA-N 385.840 3.096 0 1 GGAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc[nH]c(=N)c4[nH]3)c2)cc1 586930774 GWHWKXPMZBTYPX-UHFFFAOYSA-N 393.472 3.171 0 1 GGAF Cc1cccnc1C[C@@]1(C)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962622139 ACFWZURJTQEEDQ-MAUKXSAKSA-N 380.366 3.345 0 1 GGAF CC[C@H](O)[C@]1(CC)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963140978 JADCJGXZMMLLHK-WMZHIEFXSA-N 398.503 3.361 0 1 GGAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(COCc3ncccc32)N1 963192940 PUGMBSOUCGCGGR-PXAZEXFGSA-N 398.768 3.127 0 1 GGAF O=C(O)C[C@@H]1CCCc2ccccc2[C@]12N[C@H](C(=O)O)Cc1cc(F)ccc12 962918562 ILBJNCVGRHKJRB-WQFQCULDSA-N 383.419 3.095 0 1 GGAF Cc1ncc([N+](=O)[O-])n1CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 222763602 JWLWVGSCGSONAT-JYRVWZFOSA-N 392.824 3.490 0 1 GGAF O=C1NC(=O)N(c2ccccc2)C(=O)[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 1772625936 JAGKSXKWLQRVPC-IBGZPJMESA-N 399.406 3.191 0 1 GGAF CCNc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)O)ncc12 1772578975 MDKJGLFIVFIFQG-INIZCTEOSA-N 386.431 3.163 0 1 GGAF O=c1c2c(nc3ccccn32)n(Cc2ccccc2)c(=O)n1CC1CCCCC1 13475105 FTEIUMZWLUBTGL-UHFFFAOYSA-N 388.471 3.440 0 1 GGAF CC(C)C(C/C=C1\C[C@@](CO)(COC(=O)c2ccc(O)cc2)OC1=O)C(C)C 13704124 YQMGTUAKPTUCGH-DVQZYHKASA-N 390.476 3.472 0 1 GGAF COc1ccc2c(=O)c(OC(=O)N(C)C)c(-c3ccc4c(c3)OCO4)oc2c1 1857556546 JYNOBQMADYCLRF-UHFFFAOYSA-N 383.356 3.258 0 1 GGAF O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2 2456760 KVLJAOPQXXERKU-MHZLTWQESA-N 387.411 3.094 0 3 GGAF Cc1c(C(=O)NC(C)C)sc2ncnc(N3CCN(c4ccccc4)CC3)c12 2931401 NJJZOROCOHWMNH-UHFFFAOYSA-N 395.532 3.465 0 1 GGAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4055662 NCEBJRKNCXEJCS-SFNKJDCFSA-N 388.851 3.445 0 1 GGAF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4295940 ZNFHIAXORATXBB-FMEYXAORSA-N 390.842 3.458 0 1 GGAF O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl 4296592 KQNBMLBEURZIPA-NVXWUHKLSA-N 397.233 3.333 0 1 GGAF O=C1c2ccccc2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4503173 WDTCUIOAIZRHAE-QXUMQBBKSA-N 386.407 3.023 0 1 GGAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCn2ccnc2[C@@H]1CN1CCCC1 26282229 KVJYPMVFNCXSTH-KRWDZBQOSA-N 393.318 3.412 0 1 GGAF O=c1oc2ccc(Cl)cc2n1CCCN1CCN(Cc2ccccc2)CC1 103176063 SWEYYDIJTQWAJW-UHFFFAOYSA-N 385.895 3.456 0 1 GGAF C[C@@]1(c2cccc(NC(=O)c3ccc(Br)cc3)c2)COCC(N)=N1 113656631 OSXUMSQYXNHEJV-SFHVURJKSA-N 388.265 3.304 0 1 GGAF CC[C@H](O)[C@@H]1CCC[C@@H]2[C@@H]3C(=CCCN12)OC(=C1OC(=O)C(C)=C1OC)[C@@H]3C 2356571161 KLADGQYNEYECIT-JLPXDJIOSA-N 389.492 3.239 0 1 GGAF COc1ccccc1Nc1nc(Nc2cnn(C)c2)ncc1Br 63540042 FSMBXUVDJRDBGE-UHFFFAOYSA-N 375.230 3.468 0 1 GGAF CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)N(C)c1ccc(Cl)cc1F 28637731 KKVCXFAANICNJV-HNNXBMFYSA-N 375.849 3.287 0 1 GGAF Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 38796296 GGVGHMDLZIWZOR-JEUBMUGFSA-N 393.483 3.387 0 1 GGAF NC(=O)[C@H](CC(=O)c1csc([C@H]2CCCNC2)n1)Cc1c[nH]c2ccccc12 73164874 YGCUUNIGCRTIFV-KBPBESRZSA-N 396.516 3.008 0 1 GGAF O=S1(=O)C[C@H](N2CCC(c3ccccc3)CC2)CN1Cc1ccc(F)cc1 72139680 KYVVKAJNOHMCMX-OAQYLSRUSA-N 388.508 3.219 0 3 GGAF COC(=O)CC/C=C/[C@@H](O)C/C=C/C=C/C=C/C=C/C=C/[C@@H](O)[C@@H](C)CO 84655058 BIYNTKOCLUJCQH-YMPGKOBNSA-N 376.493 3.017 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)c4cc(Cl)ccn4)ccc31)[C@@H]1CC[C@H](C2)N1 96175224 YVBFOMUWVVPKDA-DOMZBBRYSA-N 387.892 3.409 0 1 GGAF COCOCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 95535266 NUDJAQZCUVJIHY-HXUWFJFHSA-N 399.443 3.379 0 1 GGAF C[C@H](CN1CCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F 142921142 PXMISIRKDSDEBN-SNVBAGLBSA-N 386.349 3.109 0 1 GGAF O=C1c2ccccc2N2O[C@]3(N4CCOCC4)CCC[C@H]3[C@]12c1ccccc1 254136829 BLGLJWCTEAFVSH-YMPZKCBVSA-N 376.456 3.359 0 1 GGAF N[C@@H](CC(=O)N1CCNc2cc(F)ccc2C1)[C@H]1CCc2cc(F)c(F)cc21 473170682 QTEHQGWBQMKLLZ-KXBFYZLASA-N 389.421 3.305 0 1 GGAF COc1ccccc1N1CCN(CCCc2cn(-c3ccccc3)nn2)CC1 299841059 XQESGARESDXCGW-UHFFFAOYSA-N 377.492 3.031 0 1 GGAF CCCN(CCCNC(=O)OC(C)(C)C)CCc1cccc2c1CC(=O)N2 473126453 TZNPVAAHDJDERS-UHFFFAOYSA-N 375.513 3.351 0 1 GGAF COc1cc2c3c(c1)O[C@](Cc1csc(=N)[nH]1)(c1ccccc1)[C@@H](C2)C3=O 587449815 HMRVCRAIECPHPA-HRAATJIYSA-N 378.453 3.450 0 1 GGAF CCc1ccc([C@@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587825337 HALJZHWTUHWYSE-NSPYISDASA-N 394.284 3.239 0 1 GGAF Cn1nccc1CS(=O)(=O)Cc1nc2ccc(Oc3ccccc3)cc2[nH]1 586922963 FOSCABQTIVUODM-UHFFFAOYSA-N 382.445 3.204 0 1 GGAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587079806 HLWXEVHDMNOIBB-CQSZACIVSA-N 377.853 3.143 0 1 GGAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c[nH]c(=N)[nH]c-2n1)c1cccc(Cl)c1 587072066 SVMOVIUSUVMICT-LBPRGKRZSA-N 388.859 3.179 0 1 GGAF CCOP(=O)(C[C@]1(CC)NCCc2ccc(C(=O)N(C)C)cc21)OCC 962925363 MEKFRNIWDUUXLE-IBGZPJMESA-N 382.441 3.406 0 1 GGAF CC(C)(O)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@@H]3[C@@H](O)CC[C@]32C)[C@@]1(C)CCC(=O)O 1772648003 UMJSXJCFPRFKCG-WFNFYUGMSA-N 382.541 3.203 0 1 GGAF CC(=O)N1CCc2c(c(Nc3cccc(-c4cc[nH]n4)c3)nn2CC2CC2)C1 1772611211 JYEGHZZFDPRSDT-UHFFFAOYSA-N 376.464 3.331 0 1 GGAF Cc1nonc1[C@H]1CCCN1C(=O)c1cc(COc2ccc(F)cc2F)on1 13593761 IZHLWSPPQOOUAR-OAHLLOKOSA-N 390.346 3.201 0 3 GGAF COc1ccc(C2=Nn3c(nnc3-c3cc(OC)cc(OC)c3)SC2)cc1 13828717 ABUJGBCXTUUFOT-UHFFFAOYSA-N 382.445 3.329 0 1 GGAF C/C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CN 1857749442 BASXCEHVMKEGCB-CWHOZVNYSA-N 376.548 3.381 0 1 GGAF Cc1ccc(S(=O)(=O)[C@@H](CC(=O)N2CCCC2)C(=O)c2ccccc2)cc1 1623049 RSPMBLHHEOXXMK-IBGZPJMESA-N 385.485 3.033 0 1 GGAF COc1cc2c(cc1O)[C@]1([C@H](C)c3ccc4c(c3[C@H]1OC(C)=O)OCO4)N(C)C2 2356392148 QMNLUGSVKGQYAU-HJTNWJIWSA-N 397.427 3.192 0 1 GGAF CC[C@H](C)NC(=O)CCCn1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O 6944757 VDPFBLGZYKRISG-HNNXBMFYSA-N 395.507 3.202 0 1 GGAF O=C(Nc1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cncnc2)cc1 100086924 OEOOTXQLVYJGIB-WKCHPHFGSA-N 389.434 3.254 0 1 GGAF C[C@@H](c1ccc(Cl)cc1)N1Cc2cncn2[C@@H](CC2(C)COC2)S1(=O)=O 58502227 GVZKXJCNQYYFST-SUMWQHHRSA-N 395.912 3.368 0 1 GGAF COC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N(C)C2 100844656 LCWYVYCRRLOAFG-RAEVTNRLSA-N 399.272 3.278 0 1 GGAF Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccccc1)N1CCCCCC1 64274927 NHOWYIJXIKWIQJ-GOSISDBHSA-N 377.510 3.187 0 1 GGAF CCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)c(OC)c1 27630193 ABKNNWLEEFKOAK-UHFFFAOYSA-N 389.404 3.150 0 1 GGAF COc1ccc2c(c1)c([C@H](C(=O)O)N1C[C@@H](C)C[C@H](C)C1)cn2CCC(=O)O 504656659 CVZYCCJMVMSEJF-PJSUUKDQSA-N 388.464 3.228 0 1 GGAF biogenic COc1cc([C@H]2C[C@H](O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC 40933381 QIVJEPKRLFVSAS-OCCSQVGLSA-N 390.432 3.307 0 1 GGAF C[C@@]1(C(=O)NC2CCCCC2)CCC(=O)N1C1CCN(Cc2ccccc2)CC1 199397737 NLUZLGTZABOPHF-DEOSSOPVSA-N 397.563 3.481 0 3 GGAF CC(C)CNc1nccc(NCCN(C)c2cc(-c3ccccc3)nc(N)n2)n1 96905892 YIJQXLOTARWYFR-UHFFFAOYSA-N 392.511 3.132 0 1 GGAF Cn1ccnc1CN1CCC[C@]2(CCCCCOc3ccccc3C(=O)NC2)C1 618017280 LRKRZCQDTKIBOG-QHCPKHFHSA-N 396.535 3.385 0 1 GGAF c1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NCC5CCCCC5)CO[C@H]34)n2)cc1 36368328 AZFAJCQJKRSIIJ-DXBBTUNJSA-N 394.519 3.260 0 1 GGAF biogenic O=C(O)Cn1c(=O)c(-c2c[nH]c3ccccc23)nc2ccc(Br)cc21 299861049 HODUZVZZQRGUCM-UHFFFAOYSA-N 398.216 3.392 0 1 GGAF COc1cccc(-c2cc(CC[C@H](N)C(N)=O)nc3c2oc2ccccc23)c1 587362717 KUYAJOUFVLYZQI-SFHVURJKSA-N 375.428 3.402 0 1 GGAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ncccn1 586987388 ODNZWTYTMVXVFO-UHFFFAOYSA-N 382.379 3.123 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccnn2C)N1 587757303 GYTNCUKSNLXUEV-XHQXLQHBSA-N 393.304 3.175 0 1 GGAF CCOC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]n1 587797939 TYSLNGPMDPVOCR-AYVTZFPOSA-N 382.233 3.112 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3c(c2)ncn3C)N1 587759116 SJGRVLGANBJMFY-JDNHERCYSA-N 375.245 3.494 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN1CCCC1=O 587866467 KGZAMRZELWIGLO-UHFFFAOYSA-N 381.354 3.230 0 1 GGAF O=C(O)c1cccnc1SCc1nc2ccc(Br)c(O)c2[nH]1 586966924 LPNGUFGEGHYAEL-UHFFFAOYSA-N 380.223 3.417 0 1 GGAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1)C(C)(C)C 587205347 PXFSNQBNXGCZNM-HNNXBMFYSA-N 395.525 3.448 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1cc(OC)c(OC)cc1CC(=O)O)[C@@H](C2)C3=O 587444141 RYBGPBRZUKFVSF-OYHNWAKOSA-N 398.411 3.002 0 1 GGAF COC(=O)[C@@H]1SC[C@H](C)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587616598 FQLWNOUIFDLLEQ-BCFSAKAYSA-N 386.425 3.017 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2cccc(O)c2C(=O)c2c(O)cccc21 587403355 HEFPVQNKFKPKHY-UHFFFAOYSA-N 387.391 3.442 0 1 GGAF Oc1nncc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 587119997 MZFIBCCZCWKRLX-UHFFFAOYSA-N 397.320 3.454 0 1 GGAF CN1C(=O)C[C@H]2CN[C@H](c3cc(Br)cnc3F)c3cccc1c32 963024859 MGLIQVHQJKMYRB-FVMDXXJSSA-N 376.229 3.126 0 1 GGAF Cc1cc(C)c2c(=O)c([C@@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)coc2c1 963547919 CAEWFXQCPCTDBL-YWZLYKJASA-N 379.412 3.112 0 1 GGAF COc1cccc(Nc2oc3cc(=O)ccc-3cc2C(=O)NC[C@H]2CCCO2)c1 5447963 GZEFBLGKURUYKT-GOSISDBHSA-N 394.427 3.406 0 3 GGAF COc1ccc(CN2CCCC2)c(OC[C@@H](O)CN2CCCCCCC2)c1 12001273 WHWQLWIJBJBGQV-FQEVSTJZSA-N 376.541 3.297 0 1 GGAF Nc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 13803891 NSYVUZNCNUARQF-UHFFFAOYSA-N 398.938 3.414 0 1 GGAF CC(C)C[C@@H](C[PH](O)(O)C1=CCCN1C(=O)OCc1ccccc1)C(=O)O 169685916 WTTYTDYQCIMIAP-INIZCTEOSA-N 397.408 3.182 0 1 GGAF COC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1cccc([N+](=O)[O-])c1)CSC3 206137689 BKSCVKMNUKKMTH-OAHLLOKOSA-N 398.444 3.323 0 1 GGAF CN(C)CCCNC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166428735 HUYOHNTZZFOUNA-UHFFFAOYSA-N 384.455 3.055 0 1 GGAF CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCOC)c2c[nH]nc2c1 1857592666 VDXJXBMLJAUGIA-UHFFFAOYSA-N 393.440 3.025 0 1 GGAF Cc1cc(OCCC[N@]2[C@H]3CNC[C@H]32)ccc1-c1nc2c(C)c(F)ccc2[nH]1 1857621826 VSUUQRZGWLNIQQ-WWVVFZFQSA-N 380.467 3.411 0 1 GGAF N[C@@H](Cc1cc(CP(=O)(O)O)cc(-c2cccc3ccccc23)c1)C(=O)O 1542005 YFASPHLUVUCGGI-IBGZPJMESA-N 385.356 3.139 0 1 GGAF investigational COc1ccc2[n+](c1OCCCN1CCCCC1)CCc1cc3c(cc1-2)OCO3 28865089 CPKXWWLAEIQOQK-UHFFFAOYSA-N 397.495 3.189 0 1 GGAF CCCCC[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](N3CCCC3)C(=O)N21 26953887 BVJROXPAKCJCCZ-SVFBPWRDSA-N 394.519 3.094 0 1 GGAF COc1cc2c(cc1OS(=O)(=O)O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 2356319151 HKVMUVAMCRTTDB-LMILNIMJSA-N 382.478 3.094 0 1 GGAF COC(=O)c1cc(C)nc(Nc2nc([C@H](N)Cc3ccc(F)cc3)cs2)n1 61907566 LWRDYJOCGMINNB-CYBMUJFWSA-N 387.440 3.153 0 3 GGAF CC=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1[C@@H](COC(C)=O)C(=O)OC 2356524043 NUTUZDPFFNFZCH-SBHAEUEKSA-N 396.487 3.386 0 1 GGAF CCC[S@](=O)CCCNC(=S)Nc1cc(OC)c(Cl)cc1OC 66102265 SAHVFUOLJRQJAS-HSZRJFAPSA-N 378.947 3.192 0 1 GGAF O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCCC3)co2)cc1 38477837 IBCAUSMSEBBDBE-UHFFFAOYSA-N 389.455 3.437 0 1 GGAF NCc1ccc(CCCOCCNS(=O)(=O)c2ccc3ccccc3c2)cc1 34804687 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O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(F)cccc12 587571662 RNQRFHIALJUSIQ-HRAATJIYSA-N 377.327 3.341 0 1 GGAF CN(C)/C=C\[C@]1(c2ccn(C)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582579 PZBPBBULCGTGEG-YWNUMPGTSA-N 391.427 3.058 0 1 GGAF COc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C 587554909 YFDNMQNAJACLTQ-DYVFJYSZSA-N 386.791 3.491 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(CCc3cccc(OC)c3)[nH]c2c1 587930034 CNTSPZHZKHIJKB-UHFFFAOYSA-N 387.505 3.435 0 1 GGAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 586927020 SJSSIXSGKBGAAC-UHFFFAOYSA-N 398.271 3.484 0 1 GGAF CN(C)C(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 587586835 DTNHROCQHWSCJF-FXAWDEMLSA-N 378.384 3.125 0 1 GGAF COC(=O)c1ccnc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc12 586901682 XIMYWDCNRQQWRS-UHFFFAOYSA-N 377.356 3.396 0 1 GGAF COc1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2n1 587017862 PXCRDNSFJRMKRT-UHFFFAOYSA-N 380.429 3.452 0 1 GGAF Cc1ccccc1-n1cc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)nn1 962732232 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1857540640 CYJNNVVZPGOIIW-UHFFFAOYSA-N 397.519 3.356 0 1 GGAF CCCCc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1 1857616645 ZFUGTCXOROLCPU-UHFFFAOYSA-N 384.480 3.074 0 1 GGAF CC(C)N1C(=O)COc2cc(CN3CCN(c4ccccc4F)CC3)ccc21 103249238 NPRYCIUXONYYOG-UHFFFAOYSA-N 383.467 3.282 0 1 GGAF COc1ccnc(N2C[C@H]3CN(C(=O)c4c(C)ccc5ccccc45)C[C@H]3C2)n1 116821755 YSPJHPRRYBJEGJ-HDICACEKSA-N 388.471 3.155 0 1 GGAF CC(=O)Nc1ccc(N2C[C@@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1 113064923 BXMKQFJSSNEYSN-CYBMUJFWSA-N 393.852 3.115 0 1 GGAF CCC[C@@H](OC)N1CCn2c(=O)n(-c3ccc(OC)cc3)c3nc(C)cc1c32 28467949 LGPJBFIUKQJUBB-GOSISDBHSA-N 382.464 3.097 0 1 GGAF CCC[C@@H]1C(O)=C2CC[C@@]3(C)C[C@H](C)[C@H](O)[C@@H](C[C@H](C)C(=O)C[C@H]1OC2=O)O3 2356846920 ORWMGACNUWRRGW-INULFKFTSA-N 394.508 3.464 0 1 GGAF Cc1ccc(CNC(=O)[C@H]2C[C@H]3Cn4c(nc5cc(C)c(C)cc54)[C@@H]3N2C)o1 36378240 YUJOHWVYKAPKFZ-CWFSZBLJSA-N 378.476 3.246 0 1 GGAF COCC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(-c2ccccc2OC)c1 61924162 YEOGERUNVNEBSU-JBACZVJFSA-N 396.487 3.144 0 3 GGAF COc1cccc(C(=O)NC2CCN(C(=O)Nc3cccc(C(C)=O)c3)CC2)c1 35311814 YDFNKWNIXVFVFV-UHFFFAOYSA-N 395.459 3.324 0 1 GGAF CCOC(=O)C1=C(OCC)C(=O)O[C@H]1C1=C(Cl)c2cc(C)ccc2OC1 1911575372 ZIAVTCJLECSWKG-INIZCTEOSA-N 378.808 3.116 0 1 GGAF COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1 82132485 IXKXCBXIDAWVNQ-IRXDYDNUSA-N 382.508 3.392 0 1 GGAF COc1ccc(-c2c(O)n[nH]c2-c2cc(OC)c(OC)cc2OC)cc1OC 49073413 DLNRZPOUIUTSHU-UHFFFAOYSA-N 386.404 3.492 0 1 GGAF CC1=NN(C(=O)NCc2ccccc2)C(C)=NN1C(=O)NCc1ccccc1 40505884 ZOEWFPJJQOMRGG-UHFFFAOYSA-N 378.436 3.090 0 1 GGAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCC23COC3)cn1 149599107 OGGQZEFPKXHPFF-UHFFFAOYSA-N 391.427 3.239 0 1 GGAF CC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(C)c4)cc3)[C@@H]2C1 95874586 DMSQNCBXUTXOTC-HJOGWXRNSA-N 378.516 3.433 0 1 GGAF O=C1[C@@H]2CS[C@@]3(C(=O)Nc4ccccc43)N2C(=O)N1Cc1ccc(Cl)cc1 96909010 POVQHLNFAUGINO-KXBFYZLASA-N 399.859 3.025 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncc(OCC(C)C)cn3)C2)cc1 261098387 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CN(C)C(=O)c1ccc2c(c1)[C@H](c1cc(O)cc(Br)c1)NCC2 962931095 ZRWMPWILGVJCMD-KRWDZBQOSA-N 375.266 3.092 0 1 GGAF Cc1c(C(=O)N2CCN(c3ccccc3)CC2)[nH]c2ccc(Cl)cc2c1=O 1772613219 LHULJLLNFWPBMG-UHFFFAOYSA-N 381.863 3.452 0 1 GGAF COc1cccc(C(=O)CCNC(=S)Nc2ccc(Br)cn2)c1 14943880 KGSGQUHHARGKHU-UHFFFAOYSA-N 394.294 3.412 0 1 GGAF CCCN(CC[C@H](C)[C@@H]1CC=C(C)CC1)Cc1ccc2c(c1)=[N+]([O-])C(C)(C)[N+]=2[O-] 169306305 MHOPYBVKHSVQDN-PZJWPPBQSA-N 399.579 3.399 0 1 GGAF CC1CCC(c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)CC1 205631196 JQDAUOJPMYCOOC-UHFFFAOYSA-N 379.460 3.276 0 1 GGAF COc1ccc2c(=O)c3c(oc2c1)N1C[C@@H]2CCCN4CCC[C@@H]([C@H]24)[C@H]1CC3 1857600921 OBPAMGODNGEKDE-SSOMFZRPSA-N 380.488 3.427 0 1 GGAF OC/C=C1\CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC3CCC3)cc12 1857621003 PFHQQIJVHNVQCR-AMBFUFFHSA-N 380.488 3.212 0 1 GGAF COc1cccc(CC(=O)N2N=C(c3cccc(C)c3)C[C@@]2(O)C(F)(F)F)c1 1857638186 RVWGHAPLEVCPNS-LJQANCHMSA-N 392.377 3.434 0 1 GGAF CCCOc1c2c(c(C(C)C)c3oc(CO)cc(=O)c13)O[C@@H](C(C)(C)O)C2 2356356994 FOYKNTOBPMLEDX-OAHLLOKOSA-N 376.449 3.272 0 1 GGAF COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2C)C[S@@](=O)C3)cc1 4106002 LONXMPWNXOAKRL-MUUNZHRXSA-N 395.484 3.133 0 3 GGAF O=C(O)c1sccc1S(=O)(=O)n1ccc2cc(Br)ccc21 28364961 ZYGWKDDRPATRQB-UHFFFAOYSA-N 386.248 3.401 0 1 GGAF CCOC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C 28257774 VOUOGJPPHPSUFT-JJXSEGSLSA-N 399.272 3.421 0 1 GGAF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1c(Cl)ccnc1Cl 103252965 KDNXOMVMERHOST-LBPRGKRZSA-N 381.215 3.352 0 1 GGAF NC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O 114764929 UAYUGHVCXPMZDA-UHFFFAOYSA-N 382.508 3.245 0 1 GGAF COc1cc2c(cc1[C@@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 2356495754 CXRGUJLWMNJJDZ-FWSJURHISA-N 384.384 3.228 0 1 GGAF COc1cccc(-c2cnc(N)c(N3CCC[C@@H](Cn4ccnc4C)C3)n2)c1 32537437 XHWVTVNDBPAPSO-INIZCTEOSA-N 378.480 3.156 0 1 GGAF COC(=O)[C@H]1[C@@H](c2ccc(C)c(I)c2)C[C@@H]2CC[C@H]1N2C 34495821 ZILVUMKQTCCDKV-XNISGKROSA-N 399.272 3.339 0 1 GGAF Cc1ccc(-c2nc3c(NCC(C)C)ncnc3n2CCCN2CCCC2=O)o1 82178028 FTLXRQPSBKJEAO-UHFFFAOYSA-N 396.495 3.475 0 1 GGAF CCOc1ccc(Cc2cc([C@@H]3O[C@@H](OC)C[C@H](O)[C@H]3O)ccc2Cl)cc1 45290069 PXKSVTZRXLFMBJ-BQJUDKOJSA-N 392.879 3.485 0 1 GGAF COc1coc(COC(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1=O 82156374 AFCBPJWBQFKCNG-NRFANRHFSA-N 388.416 3.106 0 1 GGAF CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C 95895895 WDEIHSYLMKRAJI-BDTNDASRSA-N 398.478 3.052 0 3 GGAF CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2ccco2)N(C)C(=O)N1C 95587021 DSXPQSFFKFGQOO-SFHVURJKSA-N 384.388 3.064 0 1 GGAF CN(C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2)c1ccccn1 95589285 OHHRCSFJGIZGOS-UHFFFAOYSA-N 398.466 3.474 0 1 GGAF C[C@@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)C 95678719 ICBPOKCISFMJKJ-PMAPCBKXSA-N 396.531 3.273 0 1 GGAF COC1=CC(=O)C[C@H](C)[C@]12Oc1c(Cl)c(OC)c(Cl)c(OC)c1C2=O 32177736 VOYKFNUPFUJNKL-SKLCBMLGSA-N 387.215 3.464 0 1 GGAF biogenic CC(=O)CC(=O)O[C@@H](C)CCCCC[C@@H]1C[C@@H]2CC[C@@H]3C[C@H](C)N=C(N1)N23 377829964 PHRQNMKILBKKIK-NLNMYJFZSA-N 377.529 3.191 0 1 GGAF COc1cc2ccn(Cc3cc(OC)c(OC)c(OC)c3)c(=O)c2cc1OC 653748815 MOCXPHDIRJQLNO-UHFFFAOYSA-N 385.416 3.093 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(C)c(Br)cc21 587371085 HSVQAHFXKXOZDM-GOSISDBHSA-N 387.233 3.461 0 1 GGAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587202405 DLSUNSYQSBCYDB-LBPRGKRZSA-N 388.415 3.254 0 1 GGAF CC(C)(C)OC(=O)NCc1ccccc1Cc1cnc2nc(O)nc(O)c2c1 587552614 AGLAZEQAEOWANX-UHFFFAOYSA-N 382.420 3.052 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2CCS(=O)(=O)CC2)N1 587847101 WIBGRGZGFZAVHE-MGPLVRAMSA-N 390.318 3.162 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587173756 ISDUKVOHTDRQBW-SFHVURJKSA-N 389.452 3.457 0 1 GGAF CN1C(=O)[C@H](C(=O)O)[C@@]2(NCCc3cccc(-c4ccccc4)c32)c2ccccc21 962671042 WCNQKNUFGKTUPB-RCZVLFRGSA-N 398.462 3.420 0 1 GGAF CNC(=O)COc1ccc([C@@H]2c3cccc(Br)c3CCN2C)cc1 963270733 QYERMVCGVCYDNZ-LJQANCHMSA-N 389.293 3.151 0 1 GGAF COc1cc(N)c([C@@]2(C)NCCc3cc4cccc(OC)c4nc32)c(OC)c1 963058346 OCIBONYUYBTGND-JOCHJYFZSA-N 379.460 3.252 0 1 GGAF CCOC(=O)C[C@]1(c2cnn(C)c2)NCCc2cccc(-c3ccccc3)c21 962659130 DTWZBNXFFQPNQK-HSZRJFAPSA-N 375.472 3.430 0 1 GGAF Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(COc2c(F)cccc2F)on1 12298390 DTPYAHRNUUIVBP-JTQLQIEISA-N 376.363 3.065 0 3 GGAF CC(C)N1Cc2cccc3c2N(Cc2c(-c4noc(C5CC5)n4)ncn2-3)C1=O 13760373 WMJHBDVECGDLPF-UHFFFAOYSA-N 376.420 3.464 0 1 GGAF COc1ccc2[nH]c(CN3CCc4ccccc4C3)c(CCNC(C)=O)c2c1 169323491 DILSDCKFEPMGDF-UHFFFAOYSA-N 377.488 3.413 0 1 GGAF CN1C[C@@H](C(=O)OCCO)C[C@@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]21 169368885 UGSVTHLCYAINLK-SCWSEQNSSA-N 382.504 3.252 0 1 GGAF CC[C@H](C)N(C(=O)CN1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21)[C@H](C)CC 201488355 VFOSSRYLAFVDMP-FUHIMQAGSA-N 399.535 3.454 0 3 GGAF CCn1ncc2c1CC[C@H](N=c1nc3c(-c4ccc(F)cc4C)cccn3[nH]1)C2 1857751458 OHXQPMCUJTWQJA-KRWDZBQOSA-N 390.466 3.452 0 1 GGAF Cc1ccc(Cc2c(C)nc3nc(SCC(=O)N4CCCC4)nn3c2C)cc1 2458781 SOLIBVVMTALUFB-UHFFFAOYSA-N 395.532 3.355 0 1 GGAF CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCOC)cc1 4049649 GDRUDZNISDIOTM-TZIWHRDSSA-N 382.460 3.330 0 1 GGAF Cc1nn(-c2ccccc2)c(C)c1[C@@H]1OC(=O)C(O)=C1I 103279347 LGUVWCYYKPCYEX-AWEZNQCLSA-N 396.184 3.292 0 1 GGAF CCCN1CCN(C(=O)[C@H](C)n2nc(C)c3sc4ccccc4c3c2=O)CC1 20466915 NSUQGJVUCXEQHA-HNNXBMFYSA-N 398.532 3.035 0 3 GGAF CNc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)c1 116589095 GDOBXOFLRCXLNU-KSSFIOAISA-N 381.501 3.402 0 1 GGAF CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1 63539696 ZGGIYFOLDBTZIL-UHFFFAOYSA-N 399.886 3.325 0 1 GGAF O=C(NCCN1CCCCC1)c1ccc([C@H]2CCCN2Cc2ncc[nH]2)s1 20272708 XEZRTTUBIOVZIH-MRXNPFEDSA-N 387.553 3.024 0 1 GGAF CC(=O)Nc1ccc(Nc2ccnc(N[C@H](CO)Cc3ccccc3)n2)cc1 64499130 FVRILGGBEZKFJQ-IBGZPJMESA-N 377.448 3.194 0 1 GGAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](C)c4ccoc4C[C@@H]3[C@@]12C 2356605101 UAUZSKBZFMNDSP-GDPJEQJVSA-N 376.493 3.425 0 1 GGAF CC(=O)O[C@]12CC=C(C)C=C[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O 36434893 DMDYDVXEMCPQPC-MPVZDDSSSA-N 386.444 3.494 0 1 GGAF O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCn1ccnc1 72110165 BVXLTYIXZVPJAA-UHFFFAOYSA-N 384.233 3.485 0 1 GGAF COc1cccc(CNc2nc(NC[C@@H](C)O)c3cc(OC)c(OC)cc3n2)c1 82129240 YGTFSVFEKHHGRQ-CYBMUJFWSA-N 398.463 3.060 0 1 GGAF CC(=O)NCCn1c(C(C)C)nc2c(NCc3cccc(Cl)c3)ncnc21 82181346 ZHWYMYVMSBVDKS-UHFFFAOYSA-N 386.887 3.351 0 1 GGAF CCn1c(=O)n([C@@H]2CCN(C[C@@H]3CCCC34CC4)C[C@H]2CO)c2ccccc21 96903083 XFNNQEWEJQMALD-GBESFXJTSA-N 383.536 3.259 0 1 GGAF COc1cc(C(=O)c2c(O)cc3c(c2O)CCC(C)(C)O3)cc(OC)c1OC 299823439 GGGXKCNYUOFVCO-UHFFFAOYSA-N 388.416 3.458 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(CCC(=O)OC)c1C)CC2=O 587474716 HDKVQTFDKKDPJV-GOSISDBHSA-N 386.448 3.428 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(CCO)cc3[nH]2)cc1 587041578 YWKKMVYTOUEROS-LJQANCHMSA-N 397.500 3.384 0 1 GGAF C[C@@H](Sc1ncccn1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586960255 AIEUWGGYNQKBCN-LLVKDONJSA-N 379.449 3.266 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)Oc4ccc(Cl)cc41)[C@@H](C2)C3=O 587420919 KEKRQOZBCJAWJD-RBZFPXEDSA-N 384.771 3.352 0 1 GGAF Cc1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2n1 587184494 DPRVIRUNXRJUHZ-LBPRGKRZSA-N 378.217 3.113 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(O)cc2)N1 587832925 LHFLRCDHMNYKQI-HUTHGQBESA-N 380.213 3.156 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586904456 UHKXOOJNFFGVMX-LPHOPBHVSA-N 385.489 3.162 0 1 GGAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(OC(F)F)cc1 587637966 ROHLYNUZEDLPHB-UHFFFAOYSA-N 389.310 3.485 0 1 GGAF COC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1C 587752434 DTDNILWVOVJOJZ-XXFAHNHDSA-N 381.245 3.337 0 1 GGAF C[C@]1(CC(=O)NCc2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576781 IBZGMUVRHFRYCJ-SIKLNZKXSA-N 393.395 3.412 0 1 GGAF CCn1cccc1[C@@]1(C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963148861 PAQFVFMURMNQJS-YJYMSZOUSA-N 391.493 3.474 0 1 GGAF CS(=O)(=O)N1CC=C(c2[nH]c3nccc4c3c2CNc2ccc(F)cc2-4)CC1 1772589857 IHGXDXYEPFSDRT-UHFFFAOYSA-N 398.463 3.343 0 1 GGAF CC(=O)[C@@H]1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N[C@@]1(O)C(F)(F)F 12377579 QXWLIBJAVGUJDL-NUJGCVRESA-N 394.349 3.289 0 3 GGAF CCCCOc1ccc(Cn2cc3c(=O)n(C)c(=O)n(CC(C)C)c3c2)cc1 13603249 VTNUFACNTOOOCM-UHFFFAOYSA-N 383.492 3.385 0 1 GGAF c1ccc2c(c1)OC[C@H](CNCC1CCN(c3cccc4c3OCC4)CC1)O2 13799907 CKEHNJZQODAPNT-IBGZPJMESA-N 380.488 3.268 0 1 GGAF COc1ccc(-c2c3c(nn2C)CCc2cnc(Nc4ccn(C)n4)nc2-3)cc1 169702315 KYAGSLMMSUJSFU-UHFFFAOYSA-N 387.447 3.128 0 1 GGAF CCN(C)c1cccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 169709903 MJQRNPBFBATIDA-OXJNMPFZSA-N 382.508 3.393 0 1 GGAF O=C(NCCCCCCNC(=O)N1Cc2ccccc2C1)c1ccccc1O 166763971 JFDJEWZFAGYDLZ-UHFFFAOYSA-N 381.476 3.408 0 1 GGAF CCCS(=O)(=O)N(C)Cc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N)CC2 204145225 GGRCQDDVIQCLOA-YADHBBJMSA-N 386.561 3.458 0 1 GGAF CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cc(F)ccc4o3)n2n1 205055144 LTWXWWRYQNDMAK-UHFFFAOYSA-N 389.408 3.095 0 1 GGAF CC(C)(C)CC(C)(C)N1NN=N/C1=C1\N=c2cc3ccccc3cc2=NC1=O 205859166 HWYJTLWPPDAHJE-ISLYRVAYSA-N 376.464 3.191 0 3 GGAF O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl 4206692 QNMMYHUVXXXBJI-WBVHZDCISA-N 397.233 3.333 0 1 GGAF CC1(C)CN(C(=O)NCc2ccccc2)C[C@H]2CN(C3CCCCC3)CCN21 2356382274 UYSWKXZQYLXNJN-OAQYLSRUSA-N 384.568 3.309 0 1 GGAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)C3=C(CC[C@H]21)CN(CC(=O)O)C3=O 2356558611 GIIJGUFCRPQJIF-DHFIOEACSA-N 389.492 3.317 0 1 GGAF COc1cc2c(cc1OC)[C@@](C)(CCN1CCN(c3ccccn3)CC1)OCC2 27883040 YQQVTPUYDQDZBW-HSZRJFAPSA-N 397.519 3.099 0 1 GGAF CS(=O)(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2ccccc2Cl)no1 61896453 VDWBWPLRUHYTFP-CQSZACIVSA-N 383.857 3.067 0 3 GGAF C[C@@H]1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CCC(=O)[C@]56CO[C@H](C[C@H]1[C@@H]2OC(C)(C)O4)[C@H]36 503897808 MCAQGJLESVGGDM-LOZACGGXSA-N 388.504 3.142 0 1 GGAF biogenic C[C@](O)(CS(=O)(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 73296073 OHMGGARZRWERKA-KRWDZBQOSA-N 378.837 3.071 0 1 GGAF Cc1nnc(CN(C)c2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)o1 36382588 CKEWXVJUPNKAPF-UHFFFAOYSA-N 375.388 3.353 0 1 GGAF CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3Cl)C2)CC1 73196423 VSYRZNVEBYAZBF-OAHLLOKOSA-N 393.915 3.155 0 1 GGAF Cc1cnc(NC2CCC2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1 89469345 JPNNWINLUIIPEB-LJQANCHMSA-N 391.475 3.208 0 1 GGAF CCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cnccc3c(=O)n2C)c1F 84602973 IZYPLFNUDLNRPT-UHFFFAOYSA-N 393.415 3.030 0 1 GGAF O=C(C1CCCC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@@H]21 95866608 FHPYUOXHERBYNW-KBRIMQKVSA-N 379.298 3.315 0 1 GGAF COc1ccc([C@@H]2OC(=O)C[C@@H]2C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1OC 254044088 BICWFCHKXAYWKE-XWUAXACZSA-N 375.465 3.249 0 3 GGAF COc1cc(C)c(CNC[C@H](NC(=O)c2cc(C)on2)c2ccncc2)cc1C 653847517 NXEVAQFSYPEADX-FQEVSTJZSA-N 394.475 3.264 0 1 GGAF CC(C)Oc1c(-c2cc(=O)n3ncc(-c4ccccn4)c3[nH]2)ccc2c1OCO2 653680395 MXDDJKSFCGSBED-UHFFFAOYSA-N 390.399 3.268 0 1 GGAF CCN1CCN(c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)CC1 587441640 GPMXWFXMTIHHLQ-XXBNENTESA-N 378.472 3.326 0 1 GGAF COC(=O)C[C@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587770516 AKABCSAPLFPAIT-BBATYDOGSA-N 393.256 3.324 0 1 GGAF COc1cccc(CCc2nc3cc(I)cnc3[nH]2)c1 587929927 AQAKKFDYCZJREX-UHFFFAOYSA-N 379.201 3.356 0 1 GGAF CCCc1sc(=N)[nH]c1-c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 587012998 GDKIWXMQQRVKHK-UHFFFAOYSA-N 393.538 3.082 0 1 GGAF COC(=O)c1ccc(-n2c(O)ccc2OC(C)(C)C)c(O[C@H]2CCOC2)c1 587924783 IXPGWFXISVIKJO-AWEZNQCLSA-N 375.421 3.315 0 1 GGAF COc1cc2c3c(c1)O[C@](c1ccc(C(=O)O)cc1)(c1cc[nH]c1)[C@@H](C2)C3=O 587436788 AZCXDGFSHYXBTP-HTAPYJJXSA-N 375.380 3.413 0 1 GGAF COC(=O)/C=C/c1cccc(-c2ccc3oc(N4CCOCC4)cc(=O)c3c2)c1 13677068 PQJGAPHNJJXCGO-VMPITWQZSA-N 391.423 3.483 0 1 GGAF COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3[nH]nc4c3CCCC4)C2)cc1OC 15962401 UAIYSUYJKAYOLE-OAHLLOKOSA-N 397.475 3.041 0 3 GGAF Cc1cc2ccccc2n1CCNC(=O)c1ccc(N2CCN(C)CC2)c(F)c1 169351801 BVZKEHBBWRYNMT-UHFFFAOYSA-N 394.494 3.271 0 1 GGAF CNc1nc(Nc2cc(F)c(-c3cnnn3C)cc2OC)ncc1C(F)(F)F 169704362 UOYVKICXNWXXOP-UHFFFAOYSA-N 397.336 3.224 0 1 GGAF COC(=O)c1cc2nc(SCC(=O)Nc3nccs3)[nH]c2cc1Cl 1857545289 IWJYZFJSMPUOPG-UHFFFAOYSA-N 382.854 3.190 0 1 GGAF CCCCN1C=N[C@@H]2C(=O)NC(Cc3ccc(OCc4ccccc4)cc3)=N[C@@H]21 1857554081 BVPKCYPAUDDAOW-FCHUYYIVSA-N 390.487 3.175 0 1 GGAF Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccccc3)cc2)cc1 1857760314 BILHCEMIAJKUJW-UHFFFAOYSA-N 394.496 3.404 0 1 GGAF Cc1ccc2oc(=O)n(Cc3cn(-c4ccc(Br)cc4)nn3)c2c1 103275521 LDLLSJHERDZWTO-UHFFFAOYSA-N 385.221 3.294 0 1 GGAF O=C(O)CC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)NC1CCCCCC1 27215201 HKEMPECXDJVBST-INIZCTEOSA-N 380.872 3.142 0 1 GGAF CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(NC(=S)NCc3ccccc3)C(=O)[C@H]12 58480477 AMYFASUDBOAVHW-XKPGHWPRSA-N 397.544 3.179 0 1 GGAF COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(C)c2)CC1 29549132 OORQYWXSKDOOEU-UHFFFAOYSA-N 393.531 3.495 0 1 GGAF Cc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3CC(C)(C)O)nc2n1 113424244 ZDDHXFNPPIMRON-UHFFFAOYSA-N 390.491 3.161 0 1 GGAF Cc1cc2[nH]c(C(=O)NCCC(=O)O)c(CCc3ccccc3)c2cc1C(=O)O 29037386 KOZCWSDHKGGEBC-UHFFFAOYSA-N 394.427 3.164 0 1 GGAF Cc1ccc(CNC(=O)C[C@@H]2CCCCN2c2ccnc(-n3ccnc3)n2)cc1 35271583 RBGAQAAKQMYHIU-IBGZPJMESA-N 390.491 3.036 0 1 GGAF CCOc1ccccc1-c1nc(CN2CCN(C(=O)c3ccco3)CC2)co1 72101633 DRFVCXPHNVKFBM-UHFFFAOYSA-N 381.432 3.291 0 1 GGAF CN1CCN(c2ccc3ncc(C(N)=O)c(Nc4ccc(F)cc4F)c3c2)CC1 40414180 ZOSVYXDRJYOICQ-UHFFFAOYSA-N 397.429 3.107 0 1 GGAF Cc1cccc(CN2CCN(c3ncc(C(=O)NC4CC4)cc3Cl)CC2)c1 45201288 RWHHJUGQXHSNFO-UHFFFAOYSA-N 384.911 3.258 0 1 GGAF CCCOc1c2c(c(C(C)C)c3oc(CO)cc(=O)c13)O[C@H](C(C)(C)O)C2 85594488 FOYKNTOBPMLEDX-HNNXBMFYSA-N 376.449 3.272 0 1 GGAF biogenic,in-vitro CNc1nc(C)c(-c2nc(Nc3cccc(N4CCNCC4)c3)ncc2F)s1 95602927 CKIFWVSQRJHDKI-UHFFFAOYSA-N 399.499 3.243 0 1 GGAF CC[C@@H](/C=C/C=C/C=C/C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O)CO 96086374 BKSPTJGGAGGDSV-KXMCDMOMSA-N 381.428 3.323 0 1 GGAF CCCNC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)CC 95895414 YRDHNJKOBIPBLO-URVUXULASA-N 399.535 3.028 0 1 GGAF COc1nc(N2CCC(OC)CC2)nc(OC)c1NC(=O)CC1CCCCC1 473118800 LQEXJDNYURDVPL-UHFFFAOYSA-N 392.500 3.018 0 1 GGAF CC(C)(C)[C@@]1(Cn2cc(C(=O)O)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 587517200 IWOZCMYIVLKZSB-NRFANRHFSA-N 383.448 3.305 0 1 GGAF N[C@H](Cc1nc2ccc(C(=O)O)cc2[nH]1)c1ccc(Br)cc1F 587144510 NQDLEALVNVWVNC-GFCCVEGCSA-N 378.201 3.405 0 1 GGAF COC(=O)C[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586842 KBOGLRHBGRMEDU-UGKGYDQZSA-N 391.379 3.207 0 1 GGAF O=C(O)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 587019307 JYDSSIBTDDAOPB-UHFFFAOYSA-N 394.412 3.266 0 1 GGAF CN1CCN(c2ccc3nc(CCC(=O)Nc4cccc(F)c4)[nH]c3c2)CC1 587163540 REBAEACCMUVRDR-UHFFFAOYSA-N 381.455 3.025 0 1 GGAF COc1ccc(C[C@H](C)c2nc3nc(Br)c[nH]c-3n2)cc1OC 587926746 OWDZDTZFBGEYTK-VIFPVBQESA-N 377.242 3.430 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CN2CCC[C@H]2CO1 587864087 XBHBZRDBMUJZMQ-LRDDRELGSA-N 395.381 3.081 0 1 GGAF CN(C)CC[C@@]1(c2c[nH]c3ccccc23)NC[C@H]2CC(=O)N(C)c3cccc1c32 963022644 HGKVROYAGZATOT-VOIUYBSRSA-N 388.515 3.417 0 1 GGAF COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(C)s2)CC1 13740986 CFLRPBRDNCKUGQ-UHFFFAOYSA-N 387.549 3.397 0 1 GGAF Cc1ccncc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(C(N)=O)cnn2c1 169710827 PNXMWOHTAXWIEX-GCJKJVERSA-N 392.507 3.122 0 1 GGAF NS(=O)(=O)c1ccc(Nc2nccc(Nc3nc4ccccc4s3)n2)cc1 1857533835 PASUZQOTBYGGTF-UHFFFAOYSA-N 398.473 3.221 0 1 GGAF CCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)c1cccnc1SC 4546921 ZJPBNHZEZKZWGY-NVXWUHKLSA-N 393.553 3.120 0 1 GGAF CC(C)(C)c1ccc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100278836 QGHOMGKLGCKRDZ-DOVHUEEUSA-N 393.483 3.333 0 1 GGAF CC(=O)OC1=CC2=C(C)C3=C(C=C[C@]24COC(=O)[C@@H]4C1)C(=O)O[C@H]3c1ccoc1 103232814 VMCFOPRPUJMMBL-JLMWRMLUSA-N 394.379 3.071 0 1 GGAF CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N[C@@H](C)CCc1ccccc1 20574932 PXZRGLBWZCDTQN-ZDUSSCGKSA-N 378.494 3.108 0 1 GGAF COc1cc([C@H]2/C(=C(\O)OC(C)C)C(C)=Nc3nc(O)nc(O)c32)ccc1O 101732683 RNXMOROYCANKTQ-RAOBZKRQSA-N 387.392 3.035 0 1 GGAF CC[C@H](O)[C@@H]1CCC[C@@H]2[C@H]3C(=CCCN12)OC(=C1OC(=O)C(C)=C1OC)[C@@H]3C 2356571159 KLADGQYNEYECIT-GHVFGFPKSA-N 389.492 3.239 0 1 GGAF COC(=O)C=C[C@@H](C)[C@H](C=CC1=CCC(c2csc(C(C)(C)O)n2)=N1)OC 2356698229 OCOUTWGSFBZLMO-DYVFJYSZSA-N 390.505 3.384 0 1 GGAF COc1cc(CO)cc2c(-c3ccc4c(c3)[C@](C)(O)N[C@@H](C)C4)ccc(O)c12 2356709013 LGSVTHSJPJSFKH-NPMABZOXSA-N 379.456 3.413 0 1 GGAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCN4CCNCC4)cc3)cc12 216013708 FFIZKPZOJYZDAS-UHFFFAOYSA-N 399.878 3.471 0 1 GGAF COc1ccc2c(c1OC)[C@H](OC(C)=O)[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C 13410142 WPCZROVYBARYJT-UGKGYDQZSA-N 397.427 3.246 0 1 GGAF biogenic NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)CCN4CCCCC4)c3)c2c1 38836720 QPTBSOIBEFBRGY-UHFFFAOYSA-N 391.475 3.143 0 1 GGAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(CC)C(=O)c1cccc(F)c1 95895982 IEPBIIJIEGXQRE-ONTIZHBOSA-N 398.478 3.053 0 1 GGAF COC(=O)C1=C[C@@]23CCCN4CC[C@@]5(c6ccccc6N(C(=O)OC)[C@]15CC2)[C@@H]43 238750135 GRCRTDXUTMTMDD-MLDBQTBOSA-N 394.471 3.011 0 1 GGAF COc1ccc(C)cc1NCCCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 587228325 BCUJMYWFCHGPTK-UHFFFAOYSA-N 375.450 3.171 0 1 GGAF COc1cc(OC)c2[nH]c([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2c1 587036973 BYOFTAZUUVTPSG-JTQLQIEISA-N 399.476 3.328 0 1 GGAF COC(=O)c1cccc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c12 586974605 WCVOPDDDMIJADK-KRWDZBQOSA-N 383.473 3.460 0 1 GGAF COc1ccc(-c2nc3ccc(CCO)cc3[nH]2)c(I)c1 587180763 ZWDZHLAAZIYECC-UHFFFAOYSA-N 394.212 3.378 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOC1(CCOCC1)C2 587613731 YOKAJWJMDYYLNH-PGRDOPGGSA-N 382.412 3.452 0 1 GGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)cnc2[nH]1 587193860 HIFWKKXHEBDFIY-NSHDSACASA-N 398.305 3.238 0 1 GGAF CN1Cc2c(C3=CCN(S(C)(=O)=O)CC3)[nH]c3nccc(c23)-c2ccccc21 1772606034 MMEUSVCQHRYTGH-UHFFFAOYSA-N 394.500 3.228 0 1 GGAF Cc1cccc(NC(=O)N[C@H]2N=C(c3cccnc3)c3ccccc3N(C)C2=O)c1 13732994 KBYDWORXRKFPCS-OAQYLSRUSA-N 399.454 3.352 0 1 GGAF C[C@H]1[C@@H](NS(=O)(=O)Cc2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206042698 CFESBXPSVZPIPH-BOFXEDATSA-N 390.549 3.066 0 3 GGAF CCS(=O)(=O)Nc1cc(-c2ccccc2C(F)(F)F)cn2c(C)nnc12 1857593539 IVAHHAOVRAWFLX-UHFFFAOYSA-N 384.383 3.485 0 1 GGAF CSC1=Nc2ccccc2C2=N[C@H](CN3CCN(c4ccccc4)CC3)CN12 100740197 PLRBHBBTDYEFEG-QGZVFWFLSA-N 391.544 3.304 0 1 GGAF COc1ccc2nc(NCCN3CCN(c4ccccc4OC)CC3)ccc2c1 29135517 PWZZWUOXMRWZOY-UHFFFAOYSA-N 392.503 3.486 0 1 GGAF COC(=O)CC[C@]1(C)C2=C(CC[C@@H]1[C@H](C)O)[C@@H]1CC[C@H](C(=O)CO)[C@]1(C)CC2 2356485643 OCPLRAGKPSESPG-QDJMWKJJSA-N 392.536 3.421 0 1 GGAF NCCCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 113654135 TUAJTUKIIJXVON-UHFFFAOYSA-N 379.445 3.219 0 1 GGAF O=C(c1ccco1)N1CCN2C(=O)c3ccncc3[C@]12c1ccc(Cl)cc1 115091599 SARWHLXTINPDAZ-FQEVSTJZSA-N 379.803 3.141 0 1 GGAF O=C(NCc1ccc(F)cc1)c1c(O)c2ncsc2n(-c2ccccc2)c1=O 35010323 DFFNMSSFMKSXMB-UHFFFAOYSA-N 395.415 3.222 0 1 GGAF CCCCc1cn(-c2ccc(C(=O)Nc3ccc4nc(N)[nH]c4c3)cc2)nn1 45388060 NDHVBQSBSANIJC-UHFFFAOYSA-N 375.436 3.321 0 1 GGAF C=C(c1cccc(OC)c1OC[C@H](O)CNC(C)C)n1cnc2ccccc21 40640160 LWQUXBBBSYMOPD-QGZVFWFLSA-N 381.476 3.302 0 1 GGAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nc(-c3ccncc3)no2)n1 221132117 RFTPUZQLBJSDNO-TZMCWYRMSA-N 395.423 3.076 0 1 GGAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 147407953 TWEJXTRQRWGQRM-AKAXFMLLSA-N 396.488 3.174 0 1 GGAF NC(=O)Cn1ncc2nccc(Nc3ccnc(-c4cc(F)ccc4F)c3)c21 140535531 TXIVBLWKCYZWRM-UHFFFAOYSA-N 380.358 3.000 0 1 GGAF C/C(=C\Cc1cc(C(=O)O)ccc1O)CC[C@H](O)[C@@]1(C)CC[C@@H](C(C)(C)O)O1 238773272 UEDBFLUWLOXTGA-DFYXEXQJSA-N 392.492 3.429 0 1 GGAF Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@H](COc3ccc(F)nc3)C2)c1 96175588 RBRJTDKOGIFTFG-INIZCTEOSA-N 395.438 3.041 0 1 GGAF CC(C)n1nc(C(=O)NCC2CCN(CCCN(C)C)CC2)c2ccccc21 95566157 SXEXIWULMPWCFN-UHFFFAOYSA-N 385.556 3.011 0 1 GGAF COc1ccc(NC(=O)CSc2nc3ccc(SC)nc3[nH]2)cc1OC 299822956 RJGRVFOCPSKAIT-UHFFFAOYSA-N 390.490 3.428 0 1 GGAF N=c1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c[nH]1 587092645 YBZXQCATBYCZBZ-UHFFFAOYSA-N 377.248 3.392 0 1 GGAF COC(=O)[C@]1(CC(=O)C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587804734 FJGPGOFGCMIPCF-BMLIUANNSA-N 386.261 3.106 0 1 GGAF Clc1ccc(-n2cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)nn2)cc1 587075447 ITFQEQSSMHAFQB-UHFFFAOYSA-N 394.866 3.296 0 1 GGAF NCCOCCOCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587246291 OVXQYUUDBVSZFC-UHFFFAOYSA-N 385.308 3.135 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCn3nc(C(=O)O)cc32)N1 587798305 UKFJQDHRBCYVQH-XYZCENFISA-N 394.244 3.055 0 1 GGAF O=C(c1ccc(O)nc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657096 UOJPOFHEHARRIJ-UHFFFAOYSA-N 379.322 3.131 0 1 GGAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(S)nc(S)nc2[nH]1 586973061 MUNNXBBOKRLZCL-NSHDSACASA-N 391.547 3.041 0 1 GGAF Cc1ccc(NC(=O)CSCCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 586971494 YFQMOKDRBSGXJT-UHFFFAOYSA-N 396.516 3.488 0 1 GGAF Cn1cccc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342195 MBPKFZRNANREKC-WIYYLYMNSA-N 381.359 3.209 0 1 GGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(CSCc3c(F)cccc32)N1 963230037 LDOIVKRBUBYHCJ-FPOVZHCZSA-N 380.444 3.463 0 1 GGAF COC(=O)[C@@H]1CC2(CC[C@]13NCCc1c(Cl)cc(Cl)cc13)OCCO2 963117217 XVRJSZDKYSNNET-KBXCAEBGSA-N 386.275 3.051 0 1 GGAF O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1 1857632062 APJKDAGVZIBXGG-UHFFFAOYSA-N 398.459 3.234 0 1 GGAF CCc1ccc(-n2ncc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2N)cc1 1857774562 UILIMSTZYDFUKX-UHFFFAOYSA-N 381.432 3.274 0 1 GGAF COCCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)cc1OC 2485130 NCKMUGXPRXTERG-UHFFFAOYSA-N 376.453 3.423 0 1 GGAF O=C(NC1CC1)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 2960451 NORLHPUTOMAXOJ-UHFFFAOYSA-N 389.503 3.154 0 3 GGAF CC(C)C[C@H]1CN(C(=O)c2c[nH]c(-c3ccccc3)n2)[C@@H](CC(C)C)C(=O)N1 103265313 CAERQDTVLXEEDY-HKUYNNGSSA-N 382.508 3.478 0 1 GGAF c1ccc(-c2ccnc(N[C@@H]3CO[C@H]4[C@H]3OC[C@H]4NCC3CCCCC3)n2)cc1 2356810604 AZFAJCQJKRSIIJ-YSFYHYPLSA-N 394.519 3.260 0 1 GGAF O=c1c2ccccc2cnn1CCCN1CCN(c2ccc(Cl)cc2)CC1 35080184 UEMKXSRMRCIZMO-UHFFFAOYSA-N 382.895 3.262 0 1 GGAF Cc1cc(-c2cc(F)c3nnc([C@@H](C)n4ccc5ncccc5c4=O)n3c2)on1 139906557 MUXVJMKIENAXGE-GFCCVEGCSA-N 390.378 3.151 0 1 GGAF in-vitro CCN1C(NCc2ccco2)=N[C@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@@H]1C 195400149 QEWJMKNMGVFONC-DBVUQKKJSA-N 383.492 3.240 0 1 GGAF CCCC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195142724 ZQHVKFMMNIRWPN-XWGGYKFUSA-N 395.499 3.006 0 1 GGAF COc1cc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(N)nc2cc1OC 95568537 QCHLGZWWWSKMPE-UHFFFAOYSA-N 390.443 3.288 0 3 GGAF CCCn1c(-c2c[nH]c3ncccc23)nc2ccc(N3CCN(C)CC3)nc21 95581152 KLZORIPFVDETRC-UHFFFAOYSA-N 375.480 3.136 0 1 GGAF CCCN(C)c1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 261159996 QSRHRUYQDPVXEF-OXJNMPFZSA-N 397.523 3.178 0 1 GGAF COc1cc2oc(-c3cccc(OC(=O)N(C)C)c3)cc(=O)c2c(O)c1OC 299854628 AEMHSBVMLMRTLF-UHFFFAOYSA-N 385.372 3.243 0 1 GGAF O=C1c2ccccc2C(=O)N1CCCCCN1CCN(Cc2ccccc2)CC1 653715433 CRYWXGXUEAFUOZ-UHFFFAOYSA-N 391.515 3.271 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C(=O)O)=NN(CC)c2ccccc21 587489583 UVLZGZVVTZZVNN-QFIPXVFZSA-N 394.427 3.486 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)nnn3C)N1 587757700 HNMNTMGWJIZLSS-HUTHGQBESA-N 375.245 3.494 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 586887310 SUMDWMIMGUWNAS-ILXRZTDVSA-N 387.505 3.280 0 1 GGAF COC(=O)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587774489 VWZKSFSUYLZRGB-FVMDXXJSSA-N 379.229 3.393 0 1 GGAF CS(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 587119926 YVUANMWFAYOPER-UHFFFAOYSA-N 384.383 3.107 0 1 GGAF COC(C)(OC)[C@@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570971 KENNUIDLHBDPMQ-LVQBRJSSSA-N 399.443 3.177 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2CCS(=O)(=O)CC2)N1 587845735 RZLHNHSRUGBWFA-HWPZZCPQSA-N 390.318 3.162 0 1 GGAF COc1cccc2c1NC(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587797428 WZEFCYCUOPSSLM-LZVRBXCZSA-N 391.240 3.327 0 1 GGAF C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC1)O[C@@](O)([C@H]1CSC(=O)N1)C2 169370848 NSHPHXHGRHSMIK-UAWJWRBRSA-N 395.521 3.303 0 1 GGAF CC(=O)Nc1c(Cc2cccc3ccccc23)cc(=O)n2c1SC[C@H]2C(=O)O 1857537282 HYCIMVBSHCYCQE-KRWDZBQOSA-N 394.452 3.282 0 1 GGAF Cc1cc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)n(C2CCCCC2)n1 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391.284 3.401 0 1 GGAF O=C1CCc2cc3nc([C@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3cc2N1 587149172 MIBYBRHFEUGILA-ZDUSSCGKSA-N 396.397 3.242 0 1 GGAF N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Cl)cnc2[nH]1 587184734 VBLIDZCSLGDRSV-NSHDSACASA-N 398.635 3.458 0 1 GGAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(I)cnc2[nH]1 587089039 WHMXBYIMHQJFBN-QMMMGPOBSA-N 390.175 3.312 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Br)ccc(F)c21 587387284 QAIXNKASYGOFLY-QGZVFWFLSA-N 391.196 3.292 0 1 GGAF CN1CCC[C@@]2(CC1)N[C@H](C(=O)O)Cc1ccc(Oc3ccc(O)cc3)cc12 962931825 YJYZBWGJMIAQHH-UNMCSNQZSA-N 382.460 3.094 0 1 GGAF O=C(O)C(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1 1772571468 QJHQNFJZFZLWJA-UHFFFAOYSA-N 399.215 3.207 0 1 GGAF O=C(O)C[C@H]1c2cc(C(F)(F)F)ccc2S(=O)(=O)N1Cc1ccccc1 12478454 RSRCVASBIUKUPI-AWEZNQCLSA-N 385.363 3.426 0 3 GGAF Cc1nc(C(C)(C)NC(=O)c2ccc(C3CC3)c(OCc3ccccn3)n2)no1 150208703 HECCLCMBSJMOGG-UHFFFAOYSA-N 393.447 3.290 0 1 GGAF O=C(O)CC[C@H]1CCCc2[nH]c(/C=C3\C(=O)Nc4ccc(C(=O)O)cc43)cc21 101088983 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O=C(c1ccco1)c1cnn2c1[nH][n+](=O)c1ccc(OCc3ccccc3)cc12 377803802 DDYPSLHKAAFIKL-UHFFFAOYSA-O 387.375 3.133 0 1 GGAF Cc1nc2ccccc2nc1SCC(=O)NC(=O)N1CCc2ccccc21 653837935 VRGXOBMRPIVTFL-UHFFFAOYSA-N 378.457 3.329 0 1 GGAF COc1cc(OC)c2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 587196998 GCUYRRKNAICXAV-CYBMUJFWSA-N 391.468 3.496 0 1 GGAF COC(=O)C(=O)[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355506 YBGFVYSBRYDCRH-ZJBJCVSYSA-N 398.386 3.171 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(C)ccc(Br)c21 587373392 UUCHDUJBKIPZIH-SFHVURJKSA-N 387.233 3.461 0 1 GGAF CC1=C[C@@]2(C=C(C(=O)O)N1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587757269 GRDSUNVQNOSPEB-XLFHBGCDSA-N 381.245 3.135 0 1 GGAF COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccc(N2CCOCC2)cc1 587637161 WQQNZHDYEUUPAR-UHFFFAOYSA-N 382.391 3.161 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3)nn3cc[nH]c(=O)c13)O2 587394859 KPKJLNWMNGBEOS-QGZVFWFLSA-N 386.411 3.287 0 1 GGAF COc1cc2c(cc1[C@H]1N[C@@H](C(=O)C(F)(F)F)Cc3ccccc31)OCO2 962765134 MDENVVIKSIAXBL-DYVFJYSZSA-N 379.334 3.159 0 1 GGAF Cc1ccc(-n2cccc2[C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)nc1 963235907 WIEVULJHWWLYEC-UGKGYDQZSA-N 384.439 3.417 0 1 GGAF CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3ccc(C=O)cc3[nH]2)CC1 5963016 UZTKGCXQSQAXHT-UHFFFAOYSA-N 391.475 3.158 0 1 GGAF Cc1cccc(NC(=O)N[C@H]2N=C(c3ccncc3)c3ccccc3N(C)C2=O)c1 13733000 OJASYJSBXRPJBV-OAQYLSRUSA-N 399.454 3.352 0 1 GGAF COc1cc(C)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1 13756067 MIDBNMYTUQUADA-LJQANCHMSA-N 394.427 3.216 0 1 GGAF CC(C)c1cc(Nc2nc(N[C@H](CO)C3CCCCC3)nc3n[nH]cc23)[nH]n1 169702558 ISQKTZJQIVTQSH-OAHLLOKOSA-N 384.488 3.296 0 1 GGAF F[C@@H]1CN(Cc2ccnc3ccccc23)C[C@H]1OCc1nc2cccnc2[nH]1 2356299320 GBIOIKWCKGULTO-VQIMIIECSA-N 377.423 3.245 0 1 GGAF O=C(Cc1csc2ccc(Cl)cc12)N1CCOC[C@H]1CN1CCCC1 29043176 NMDOKBYNDWZGJE-MRXNPFEDSA-N 378.925 3.420 0 1 GGAF CN1CC[C@H](n2cc(S(=O)(=O)c3ccccc3Cl)c3cccnc32)C1 28862223 XUWDAWJSAQOYPV-ZDUSSCGKSA-N 375.881 3.399 0 1 GGAF Cc1ccc(OCCN2CC[C@]2(C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 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0 1 GGAF Cc1nc(Nc2cccnc2)cc(-c2c(Nc3cc[nH]n3)nc3cccnn23)n1 95555159 MQFYWBFKHIRBIQ-UHFFFAOYSA-N 384.407 3.100 0 1 GGAF CC(=O)Oc1ccc([C@@H]2CC(=O)c3ccc(OC(C)=O)c(OC(C)=O)c3O2)cc1 238735899 FKQGVEJPNFAULW-IBGZPJMESA-N 398.367 3.169 0 1 GGAF O=C1NCCCOCc2cn(nn2)CC[C@H]1Cc1ccc(-c2ccccc2)cc1 95661620 IAEAQIDJNDWKKV-NRFANRHFSA-N 390.487 3.231 0 1 GGAF CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CN(CC)C(=O)c1ccc(F)cc1 95895425 BFKGWLLXKNNDRP-KCZVDYSFSA-N 398.478 3.053 0 1 GGAF COCCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3cncn3C)o2)C[C@H]1C(C)C 35442729 MURJAJFOLQWXFK-BZSNNMDCSA-N 387.528 3.103 0 1 GGAF biogenic COc1cc2ncnc(-n3nc(-c4ccc(Cl)cc4)nc3N)c2cc1OC 653801237 BJEWLDSERODQTA-UHFFFAOYSA-N 382.811 3.130 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(O)cc2)N1 587832930 LHFLRCDHMNYKQI-XYZCENFISA-N 380.213 3.156 0 1 GGAF CC1(C)OC(=O)C(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)=C1N 587255371 MHRRRUZKXWHNHQ-UHFFFAOYSA-N 390.159 3.349 0 1 GGAF CC(=O)Nc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587390669 PPTQVPLLZFGQDI-NRFANRHFSA-N 382.416 3.261 0 1 GGAF COc1ccc(S(=O)(=O)Cc2nc3ccc(Br)cc3[nH]2)cc1 586920497 LQCZALKWTGGMOM-UHFFFAOYSA-N 381.251 3.308 0 1 GGAF COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CCC(=O)O)cc1F 587650521 YVWDJCYNHGFNDD-UHFFFAOYSA-N 391.420 3.403 0 1 GGAF COc1cc(Br)c([C@H](N)c2nc3ccnc(Cl)c3[nH]2)cc1OC 586976068 SPFSWQKHUYIGTO-LBPRGKRZSA-N 397.660 3.439 0 1 GGAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnnc(O)c3[nH]2)C[C@H]2CCCC[C@@H]21 587026059 KCHBAXQAVMTXIS-SNPRPXQTSA-N 383.477 3.195 0 1 GGAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587189767 DXGNHBOOEBPGOZ-GFCCVEGCSA-N 388.859 3.327 0 1 GGAF CC1(C)CC(=O)C(c2cc3c(O)nc(O)nc3nc2-c2ccc(F)cc2)C(=O)C1 587371016 ZOGNEIITSYPDGU-UHFFFAOYSA-N 395.390 3.284 0 1 GGAF CCOC(=O)[C@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587775346 ZIGZEHYLFVZSHJ-BBATYDOGSA-N 393.256 3.324 0 1 GGAF COc1cc2c(cc1[C@@H]1N[C@H](C(=O)C(F)(F)F)Cc3ccccc31)OCO2 962765138 MDENVVIKSIAXBL-SUMWQHHRSA-N 379.334 3.159 0 1 GGAF N[C@H]1CCCC(F)(F)[C@@H]1NC(=O)c1cc(-c2cnc3ccccn23)cs1 116864788 KFMRAHNQSWXTEG-BLLLJJGKSA-N 376.432 3.308 0 1 GGAF CC1=NO[C@@H](CNc2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)C1 1772656010 KNSHBQAVHVHTFG-UKRRQHHQSA-N 393.451 3.417 0 1 GGAF COC[C@H](NC(=O)Nc1ncc2c(NC(C)C)n[nH]c2c1F)c1ccccc1 1772570120 SSANPKUXKHJFKQ-AWEZNQCLSA-N 386.431 3.427 0 1 GGAF Cc1cc(C)n(CCNC(=O)c2cc(COc3ccc(F)cc3Cl)on2)n1 12595387 CNFQGEQDERWSNA-UHFFFAOYSA-N 392.818 3.289 0 3 GGAF COc1ccc([C@H](NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)c2ccccc2)cc1 13151429 VXINVOKFVSDVTO-YZUZWNONSA-N 377.440 3.424 0 1 GGAF NS(=O)(=O)c1ccc(Nc2cc(-c3cccc(Br)c3)[nH]n2)cc1 13538159 UVWRLACHEXXROY-UHFFFAOYSA-N 393.266 3.230 0 1 GGAF O=C1Cc2c([nH]c3c(I)cccc23)-c2cccnc2N1 169349960 ULXMWIZKGBUCCD-UHFFFAOYSA-N 375.169 3.329 0 1 GGAF CC(C)(C(=O)NCc1ccccc1)n1cc(-c2ccc3c(c2)OCCO3)cn1 205234104 WUOHLFWZBRRNOR-UHFFFAOYSA-N 377.444 3.373 0 3 GGAF O=C1Nc2c(I)cccc2/C1=C1/Nc2ccccc2C1=O 101142902 BGMLXPUHFUJTET-OWBHPGMISA-N 388.164 3.263 0 1 GGAF CC(=O)N[C@H](C)C(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(=O)O 3994815 DIVQRHZLKJSASW-ADLMAVQZSA-N 385.441 3.366 0 1 GGAF COc1ccc(-c2noc(N3CCC[C@H](C(=O)N4CCCCCC4)C3)n2)cc1 6738660 JAWQAUVBNRXPBD-KRWDZBQOSA-N 384.480 3.364 0 1 GGAF O=C(Nc1cc(Cl)ccc1Cl)NS(=O)(=O)[C@H]1CCCCCC1=O 103206516 BNLIINRMMIGSCL-ZDUSSCGKSA-N 379.265 3.347 0 1 GGAF O=C(O)c1ccccc1C(=O)NCCOC(=S)Nc1ccc(Cl)cc1 28520909 GJWYSINGYHIAOT-UHFFFAOYSA-N 378.837 3.182 0 1 GGAF CC(C)(C)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 26951884 WUCSGFJKBKAOEP-UHFFFAOYSA-N 387.455 3.094 0 1 GGAF COc1cccc(Nc2nc(-c3cccc4[nH]nc(N)c34)nc3c2cnn3C)c1 64746307 XAGXYSPGVNPOPA-UHFFFAOYSA-N 386.419 3.241 0 1 GGAF COc1ccc2c3oc(C(=O)N4CCOCC4)cc3n(C(=O)OC(C)C)c2c1 26390199 XCJINLIALFOYIP-UHFFFAOYSA-N 386.404 3.262 0 1 GGAF CCCCC[C@H](O)CCCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 28962134 XZWDACYVXIULCX-IBGZPJMESA-N 376.497 3.098 0 1 GGAF Cc1ccc(CN2CCC(COc3cccc4nc(N)nc(N)c34)CC2)cc1 28971710 RZISMTFTKYFWIP-UHFFFAOYSA-N 377.492 3.394 0 1 GGAF Nc1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3ccc(Cl)cc32)cc1 28130029 NWRMZTXFSRHJFJ-UHFFFAOYSA-N 387.892 3.491 0 1 GGAF CCOC[C@@H]1C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@H]2C)[C@@]31CCCN(C(=N)NC)C1 2356856924 SESVPRDMRMPBES-PBXZLSKSSA-N 389.540 3.097 0 1 GGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cc(C)on3)c2cn1)c1ccccc1 219774421 JTMRYYUQRGTBAI-QGZVFWFLSA-N 392.419 3.431 0 1 GGAF Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cncs4)C3=C2)cn1 149208062 HWBAWYMZGWIFTR-UHFFFAOYSA-N 375.457 3.001 0 1 GGAF CS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2nccs2)cc1N 95553709 YHALWHDRODYYNZ-AWEZNQCLSA-N 393.534 3.431 0 1 GGAF Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1 143733474 RPOQYHASIAIZBW-NRFANRHFSA-N 387.447 3.225 0 1 GGAF O=C(NC[C@@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCCC2)cc1)c1ccccc1 95894880 KPHNWGVEMLSEHA-VABKMULXSA-N 376.500 3.490 0 1 GGAF Cc1cc2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc2c(C)n1 587186581 YFFHHOPRLSOICL-ZDUSSCGKSA-N 392.244 3.422 0 1 GGAF CC[C@H](C)n1ncc(I)c1-c1nc2c(OC)cncc2[nH]1 587180217 FGENYTDACUWOPL-QMMMGPOBSA-N 397.220 3.406 0 1 GGAF CCN1C(=O)C[C@@H](c2nc3cccc(C(N)=O)c3[nH]2)[C@@H]1c1ccccc1Cl 587060560 AAFRTPWCKAQATD-ACJLOTCBSA-N 382.851 3.392 0 1 GGAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2nc(Br)c[nH]c-2n1 587079002 FGCXAZZIDKSKIF-JTQLQIEISA-N 391.660 3.444 0 1 GGAF COC(=O)C1=CN(C)C(C)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587761497 UWKFYKCUGYEQEO-XTZNXHDOSA-N 395.272 3.224 0 1 GGAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(OC)nccc2[nH]1 587179976 BNGIJSMVFSSAAS-MRVPVSSYSA-N 397.220 3.406 0 1 GGAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O[C@@H](C)C(=O)O 587438278 DTRDQCJBELNWAK-OCMWWKOBSA-N 398.411 3.435 0 1 GGAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 587027603 WKHTXMZVWQUGFV-UHFFFAOYSA-N 375.431 3.425 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(O)cc2)(C(=O)O)N1 587831830 IHMUEYUXJZUUAY-XTZNXHDOSA-N 394.240 3.351 0 1 GGAF COc1cccc2c3c(cnc12)CCN[C@]3(C)C1CN(C(=O)OC(C)(C)C)C1 963054615 IMKXSFUTQXWSDG-JOCHJYFZSA-N 383.492 3.471 0 1 GGAF COc1cccc([C@]2(c3ccccc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)n1 962915334 BXYYOZSYUZGZDC-PGRDOPGGSA-N 378.403 3.120 0 1 GGAF Cn1c([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)nc2ccccc21 962968550 OTYWTEOMKQUUKI-WBMJQRKESA-N 377.778 3.193 0 1 GGAF COC(=O)CCC[C@H]1CCC[C@@]2(C1)N[C@H](C(=O)O)Cc1cc(C)c(O)cc12 963473191 SDSOZRIAZCOEEB-LFRPXUGBSA-N 375.465 3.028 0 1 GGAF CN1C[C@@H](c2ccccc2)[C@]2(C(=O)Oc3ccccc32)[C@@]12C(=O)Nc1ccccc12 1772592538 KUPVCLVSKPRGSK-QTLGCAHFSA-N 396.446 3.420 0 1 GGAF CCCCN1CC[C@H]2C=CC[C@@H](C(=O)N3CCN(c4ccccc4)CC3)[C@H]2C1=O 12478996 HQGIPWCPNTYSFA-FCEUIQTBSA-N 395.547 3.176 0 3 GGAF COCc1cc2c(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)cnc(OC)c2o1 13437924 RGIGHJGWQTVJGO-UHFFFAOYSA-N 398.202 3.175 0 1 GGAF Cc1ccc(CNC(=O)[C@H]2C[C@@H]3Cn4c(nc5cc(C)c(C)cc54)[C@@H]3N2C)o1 13660627 YUJOHWVYKAPKFZ-CDHQVMDDSA-N 378.476 3.246 0 1 GGAF COc1ccccc1[C@@H]1OC(=O)C[C@@H]1C(=O)OC[C@@H]1CCCN2CCCC[C@@H]12 13815039 RLQUGMOZSOFTJC-DBSRCYSRSA-N 387.476 3.107 0 1 GGAF biogenic COc1cc(Cc2nc3c(N)ncnc3n2CCCC(C)C)cc(OC)c1OC 13839080 NMTJGJXYFOZFPG-UHFFFAOYSA-N 399.495 3.461 0 1 GGAF CCc1cc(OC2CCOCC2)cc([C@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 14953251 MYPLUXKPUNFOLX-FQEVSTJZSA-N 397.475 3.329 0 1 GGAF CC[C@]12CCN(C(=O)[C@@H]3COc4ccccc4O3)[C@H](Cc3ccc(O)cc31)C2 201103017 MBPCLMQATZONBH-XORNHQRDSA-N 379.456 3.427 0 1 GGAF CCCC(=O)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1nc(-c2ccccc2)no1 1857568584 BVAKADDNRSDBCR-UHFFFAOYSA-N 390.399 3.205 0 1 GGAF CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N(C)C)c1 770319 YPDHQDRMJFXLJM-FPOVZHCZSA-N 381.476 3.331 0 1 GGAF Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1cccc(Br)c1 2523951 BZNZINVFYVQDON-UHFFFAOYSA-N 383.315 3.251 0 1 GGAF CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1nc2ccccc2o1 3788928 ZYKPNHFCNSVFNF-QGZVFWFLSA-N 397.456 3.237 0 1 GGAF in-vivo C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)CNC2CCCC2)cc1 4897811 NUKZAUUKQWHMOA-HOTGVXAUSA-N 393.553 3.109 0 3 GGAF OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(-c2ccccc2)nc1 103231590 BSLLQTQSGFPWIJ-UHFFFAOYSA-N 387.487 3.169 0 1 GGAF O=C(c1cc(Br)n[nH]1)N(Cc1cccc2[nH]cnc12)CC1CCC1 103232618 KJKYHPDPRSQWIX-UHFFFAOYSA-N 388.269 3.491 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@@H]([C@@H](O)c1cc[n+](Cc3ccccc3)cc1)C2 26575884 SQTQNYMNESABEP-OFNKIYASSA-N 390.459 3.128 0 1 GGAF Cc1ccc(-c2ncc(C(=O)N[C@@H]3CCNC3=O)nc2-c2ccc(C)cc2)cc1 28900426 XDTLWHQQSHPGBF-GOSISDBHSA-N 386.455 3.046 0 1 GGAF CCCC[C@H](OC)[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 29486982 CTHDNCFMWDFCSN-BDJOLJFBSA-N 384.513 3.100 0 1 GGAF O[C@@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNCc1cccnc1 2356747299 IDVOYRWTCIABCF-TUNNFDKTSA-N 397.450 3.117 0 1 GGAF FC(F)(F)c1ccc([C@@H](NC2CN(c3ncccn3)C2)c2cccnc2)cc1 72102443 QVHYTPXXLGJDRN-GOSISDBHSA-N 385.393 3.458 0 1 GGAF O=C(O)COc1cc(OCc2ccccc2)ccc1/C=C1\SC(=O)NC1=O 72109265 HJWVWLYWCSVNKP-PXNMLYILSA-N 385.397 3.053 0 1 GGAF CC[C@H](c1nc2ccsc2c(=O)[nH]1)N(CCCN)C(=O)c1ccc(C)cc1 72118736 NEWVQAJNFKRYTG-MRXNPFEDSA-N 384.505 3.235 0 1 GGAF O=C(C1CCC1)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72186293 XRLQKJNHVXWJPO-LJQANCHMSA-N 388.874 3.303 0 1 GGAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(Cc3ccc(F)cc3)CC(=O)N21 16040742 QJRYZAPQTDIOQS-LJQANCHMSA-N 391.446 3.338 0 1 GGAF biogenic NS(=O)(=O)c1ccc(Nc2nncc3c(-c4ccc(O)cc4)cccc23)cc1 73161775 CXJQWAGPWRGKHL-UHFFFAOYSA-N 392.440 3.393 0 1 GGAF O=c1cc(Nc2ccccc2)ccn1C[C@@H](O)CN1CCc2ccccc2C1 223849436 JPWCFWRCXQIJQU-QFIPXVFZSA-N 375.472 3.011 0 1 GGAF O=P(O)(O)[C@H](CCCc1cccc(Nc2ccccc2)c1)S(=O)(=O)O 40898513 CSBMAVBLBVKTJH-INIZCTEOSA-N 385.378 3.145 0 1 GGAF COc1cc(-c2nc3c(NCC(C)C)ncnc3n2C[C@@H]2CCCO2)ccc1O 82177812 YOKVEHIRKODNPD-HNNXBMFYSA-N 397.479 3.454 0 1 GGAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccco2)C1 82142334 QMTINNDLIZJBCM-JKSUJKDBSA-N 384.480 3.224 0 1 GGAF CC[C@@H]1Cn2c(c(NCC(C)C)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82207689 KKINRGOJHJWHNW-GOSISDBHSA-N 392.503 3.484 0 1 GGAF CCCc1ccc(S(=O)(=O)N2C[C@H]3C(c4ccccc4C)=NO[C@H]3C2)cc1 263590241 BAGQRZXXWHEPEV-UXHICEINSA-N 384.501 3.371 0 3 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(OCC4CC4)ncn3)C2)cc1 261082506 BXPJCYGMYRJPLS-MGPUTAFESA-N 396.491 3.120 0 1 GGAF C[C@H]1CCc2cc(-c3ccc(N)nn3)ccc2N1C(=O)c1ccc(O)cc1O 653671923 FBLPPJHSHGACEJ-LBPRGKRZSA-N 376.416 3.119 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC=O)(c2ccccc2)N1 587753967 ILAUIGMUJFNORP-KPZWWZAWSA-N 377.257 3.112 0 1 GGAF COCCN1C(=O)C[C@]2(C=C1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587755532 ATYGDOMAPSJBIY-ZMZPIMSZSA-N 397.288 3.100 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3ccccc3OC2=O)N1 587843134 SACRBEUNOIKARX-XTZNXHDOSA-N 376.225 3.479 0 1 GGAF CS(=O)(=O)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979363 LJKNLWYFNJVSCF-UHFFFAOYSA-N 386.658 3.444 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ncccn2)N1 587740620 DOYKYLUHXAWOMQ-DYZYQPBXSA-N 393.260 3.156 0 1 GGAF N=c1[nH]c2c(s1)C[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587618703 PZFNLAQGDGUOIQ-OXQOHEQNSA-N 380.425 3.151 0 1 GGAF Nc1ccnc2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)nc12 587155772 HALOREHAAROJRL-UHFFFAOYSA-N 383.408 3.147 0 1 GGAF CCOC(=O)[C@@H](OC(=O)c1ccccc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399381 JOXQLBBDRVBUOR-KNQAVFIVSA-N 397.427 3.090 0 1 GGAF Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc2nncn12 587774920 OHCSOQJTLSEAKI-XYZCENFISA-N 390.260 3.132 0 1 GGAF Cc1c(O)ccc2c1[C@](c1cccc(N)c1)(c1cccs1)N[C@H](C(=O)O)C2 963524217 JVVBJYCCUSNSOV-KKSFZXQISA-N 380.469 3.235 0 1 GGAF NC(=O)c1cc(Cl)c2c(Cl)c([C@@H]3CCCO3)n([C@H]3CCCNC3)c2n1 1772586270 NPHICJWCOYEVRI-CABZTGNLSA-N 383.279 3.218 0 1 GGAF Cn1ccc(Nc2ccc(F)c([C@@]3(C)N=C(N)COC(C)(C)C3(F)F)c2)n1 169702897 QYGFFWAZNLLMIB-QGZVFWFLSA-N 381.402 3.319 0 1 GGAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCN1CCOCC1 4213439 RGVBPKLUYFPVEZ-RBUKOAKNSA-N 393.553 3.210 0 1 GGAF Cc1nn([C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c(=O)c2cc3occc3n12 6807373 SXIMFXHEXJBKOF-LSDHHAIUSA-N 392.459 3.249 0 3 GGAF CN(CC(=O)O)c1c(Br)cccc1Nc1ncnc2ccncc12 29133634 RQHIAPDOHIVIBW-UHFFFAOYSA-N 388.225 3.052 0 1 GGAF CC(=O)O[C@@H](C)OC(=O)N(C[C@@H](O)COc1cccc2ccccc12)C(C)C 26952176 HBWFUIQMOICLQJ-SJLPKXTDSA-N 389.448 3.336 0 1 GGAF CCOC(=O)[C@H](CNC(C)=O)c1cn(C(=O)OCC)c2cccc(Cl)c12 27854912 DZAKTIMUZDGUSY-GFCCVEGCSA-N 380.828 3.082 0 1 GGAF COC(=O)[C@]12CC[C@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@@H]1CCC=C2C(=O)O 2356604074 RIFWLYFSFDHWNO-GPTWKWCHSA-N 388.416 3.264 0 1 GGAF CC=C1CN2CC[C@@]34Cc5cc(O)ccc5[C@@H](C)[C@@]35OC[C@@]4(C(C)=O)[C@H]1C[C@@H]25 2356709097 OUFAVWSSJDRCBJ-VEFUAYEASA-N 379.500 3.437 0 1 GGAF CN(C(=O)OCc1ccccc1)[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O 2356870520 XSJNDHVYENSVQB-INIZCTEOSA-N 394.468 3.403 0 1 GGAF Cn1cc(C2=C(c3cccc4ccc(CN)cc34)C(=O)NC2=O)c2ccccc21 35983238 IYPFXBNRYNDIDC-UHFFFAOYSA-N 381.435 3.357 0 1 GGAF Cc1c(C[C@@H](C)C(=O)NC2=C(C(=O)O)CCCC2)cnn1-c1ccc(O)cc1 34853231 TZGGJKMAPZGDSV-CYBMUJFWSA-N 383.448 3.094 0 1 GGAF COc1cnc2c(Nc3ccc(F)c([C@]4(C)N=C(N)O[C@H]5C[C@H]54)c3)nccc2c1 225700661 AHSUGOLUVUBUCR-KUDFPVQQSA-N 393.422 3.470 0 1 GGAF Nc1cnc(-c2ccc(C3CCC3)c(OCCNc3ccncn3)c2F)cn1 224557712 KNZKAKWUNVWXHE-UHFFFAOYSA-N 380.427 3.413 0 1 GGAF C[C@@H]1CCC/C=C/[C@H](O)C[C@@H](O)C/C=C\C=C\[C@H](O)C/C=C/C=C\C(=O)O1 238732181 OUBHFOBEGNBZID-PMBBZMRCSA-N 376.493 3.136 0 1 GGAF CO[C@@]12C[C@@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@H]3CC[C@@H](O1)[C@@](C)(O)[C@]32C 238751803 AIHACJYGATZDDL-CNGPBWMGSA-N 376.449 3.203 0 1 GGAF CCCC[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@@H]12 253777054 DTVYAHOULQCSMS-CCOPKNGSSA-N 387.476 3.090 0 1 GGAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@H](C)CN(C)C 299879267 KLMFFBDOURYFNH-CNDZOEFASA-N 395.503 3.243 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CC(=O)N(C)C1 587866002 ADOSRIDBAHCICX-LBPRGKRZSA-N 381.354 3.086 0 1 GGAF O=C(O)c1cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccn1 587657378 VBDAYBXBPOCRAW-UHFFFAOYSA-N 379.322 3.424 0 1 GGAF CCOC(=O)/C(=C\N(C)C)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587387087 MWUIVYUIMGCQFE-OTRAAIJSSA-N 394.471 3.447 0 1 GGAF CC1(C)OC(=O)N[C@@H]1[C@H]1CC[C@@H]([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)CC1 962898806 OSXMDQHPTIWGNL-LODYLTKQSA-N 390.455 3.159 0 1 GGAF COc1ccc([C@]2(c3cc(OC)cc(OC)c3)c3c(cnn3C)CCN2C)cc1 963953543 AVFLPKFOYZYGAK-QHCPKHFHSA-N 393.487 3.226 0 1 GGAF CN(C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2)c1cccnc1 13983012 CTEBRCNYVWWQDH-UHFFFAOYSA-N 398.466 3.474 0 1 GGAF CN1CCN(C[C@H](O)c2cc(-c3ccc(F)cc3)nc3cc(F)ccc23)CC1 169334830 CQTRBCLDVBFOSU-QFIPXVFZSA-N 383.442 3.461 0 1 GGAF Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(N2CCN(C)CC2)cc1 169351859 MCMVYBXLHFMQSN-UHFFFAOYSA-N 376.504 3.201 0 1 GGAF O=C(CN1CCC[C@H](c2ccccc2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 1857587668 LJIUZOIBJFVUCF-XZOQPEGZSA-N 377.532 3.257 0 1 GGAF Cn1cc(NC(=O)c2cn(Cc3cccc(F)c3)c(=O)c3ccccc23)cn1 1857607887 VVLAVYITHHHPCS-UHFFFAOYSA-N 376.391 3.175 0 1 GGAF COc1ccc2nc(COc3ccc(C[C@@H]4SC(=O)NC4=O)cc3)[nH]c2c1 1487985 CUADXVBMFGPUEU-INIZCTEOSA-N 383.429 3.045 0 1 GGAF COc1ccccc1-c1ccc(Nc2ccc(C(=O)N3CCOCC3)cc2)nn1 4859042 CRNFYDMEZZJWEW-UHFFFAOYSA-N 390.443 3.368 0 3 GGAF O=C(Cc1ccc(O)c(Cl)c1)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21 6744643 ZMTCYRGKEJWGGM-UHFFFAOYSA-N 398.633 3.368 0 1 GGAF COc1ccc([C@@H]2C=C(c3cc(OC)c(OC)c(OC)c3)NC(=S)N2)cc1 103280776 LCVIXCCSXDDQAT-HNNXBMFYSA-N 386.473 3.281 0 1 GGAF O=C(O)CCC/C=C/C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNC(=O)NCc1ccccc1 26496614 WKHILVPAOTUCOV-OSZQSPJESA-N 386.492 3.481 0 1 GGAF CN(C(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1)C1CCCCC1 102044129 FBGWVNGNKQBDDE-IONDEXAJSA-N 378.472 3.403 0 1 GGAF CCCC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 27312948 UNEODGOAGIGGSL-JSGCOSHPSA-N 393.484 3.229 0 1 GGAF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2C[C@@H]2C2=C(COC2=O)[C@@H]1[C@@H](C)CC=CC(C)(C)O 2356801248 QNTBFRRFWZRIKG-GNKFGYDMSA-N 376.493 3.417 0 1 GGAF COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C(=O)NC1CCCCC1)C2 38394945 IEOXLGHOVIQISY-LTMIRXACSA-N 398.503 3.263 0 1 GGAF O=C1C[C@H](CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2ncncc21 45288640 ZOGCPCPBHXLAHX-CYBMUJFWSA-N 380.423 3.382 0 1 GGAF CCCn1c(=O)c(NCC(CC)CC)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205198 ZJUBRKFUJUHQDU-SFHVURJKSA-N 384.524 3.305 0 1 GGAF O=C1Cc2cc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)ccc2N1 84670220 OVRVPUNPWUSLMQ-UHFFFAOYSA-N 383.521 3.154 0 1 GGAF Cc1c(C(=O)NCc2ccccc2)[n+](=O)c2cc(C(F)(F)F)ccc2n1O 49068389 ZEKCNNUVXIZAIB-UHFFFAOYSA-O 378.330 3.050 0 1 GGAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CNC[C@H]1c1ccc(F)cc1 49110541 UEICCWGZYSXNNK-HOTGVXAUSA-N 385.826 3.262 0 1 GGAF CCc1cccc2ccn(C[C@H](O)CSc3nnnn3-c3ccccc3)c12 84706258 DBQTUXUHKHWHKW-SFHVURJKSA-N 379.489 3.333 0 1 GGAF O=c1cc(CN(Cc2ccccn2)c2cnccn2)c2ccc(F)c(F)c2[nH]1 82149630 IFSBGHCNMNCHCY-UHFFFAOYSA-N 379.370 3.198 0 1 GGAF CC(C)N(C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F 142882283 XIDHNMBDXJJOCG-SNVBAGLBSA-N 388.365 3.353 0 1 GGAF CC(C)C(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2ccnn2)cc1 199838741 WCQFQTXZUJXYDV-UHFFFAOYSA-N 383.477 3.168 0 1 GGAF C/C=C/c1ccc([C@H]2[C@H](CO)N3C(=O)CN(Cc4ccc(C)cc4)C[C@@H]23)cc1 95795658 BTBGJPBJMAHVIJ-OHSYXEBDSA-N 376.500 3.199 0 1 GGAF CN1[C@H](C(=O)NCc2ccco2)C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@H]21 253989087 RXEOZLZBPPKMPL-NDXORKPFSA-N 386.455 3.474 0 3 GGAF Cc1nc(-c2ccccc2Br)cc([C@H]2CN3CC[C@H]2C[C@@H]3CN)n1 35415874 JPOMWEPMWWVITN-LZWOXQAQSA-N 387.325 3.351 0 1 GGAF biogenic CCOC(=O)C1CCN(c2nc3c(c(Nc4cc(C5CC5)[nH]n4)n2)CCC3)CC1 299855242 AUCGCVZJPDBNIQ-UHFFFAOYSA-N 396.495 3.089 0 1 GGAF CC1CCC(NS(=O)(=O)Cc2nc3cccc(OC(F)(F)F)c3[nH]2)CC1 586953296 RRQBGLHLCCFWHC-UHFFFAOYSA-N 391.415 3.460 0 1 GGAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)cc1 587786424 QOAWQGBIKZCQOH-OALUTQOASA-N 390.487 3.258 0 1 GGAF CN1CCN(c2ccc3nc([C@H]4CCC[C@@H]4NC(=O)OC(C)(C)C)[nH]c3c2)CC1 587232841 CZQDUPNOUGPBAO-IRXDYDNUSA-N 399.539 3.476 0 1 GGAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(O)nc(O)nc3[nH]2)c(F)c1 587145029 REXKGDXNWTXWDM-UHFFFAOYSA-N 380.335 3.244 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](O)c1ccccc1 587867884 PSVGSQWLULHPTC-INIZCTEOSA-N 377.322 3.346 0 1 GGAF Cc1cnc(Cl)c2[nH]c([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)nc12 587202137 FVXZLBUHIVSKME-GFCCVEGCSA-N 388.811 3.362 0 1 GGAF Nc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cc1N 587000246 HJUFPZPHSKXFMZ-ZDUSSCGKSA-N 385.269 3.214 0 1 GGAF O=C(O)CCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518517 KEZVXLWIYCVEBD-HSZRJFAPSA-N 391.423 3.247 0 1 GGAF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ncc[nH]c-3n2)ccc1Cl 586962744 AFHZTEIFWJEXCR-UHFFFAOYSA-N 399.867 3.089 0 1 GGAF Fc1cc(F)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1Br 587136961 ZQJFINFQYVTURX-UHFFFAOYSA-N 377.152 3.246 0 1 GGAF COc1cccc([C@@]2(c3cccc(C)n3)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962919763 LNEUXVHQUMYYDV-NZQKXSOJSA-N 392.430 3.429 0 1 GGAF Cn1cccc1CN1CCc2sccc2[C@@]1(c1nccn1C)[C@@H]1CCCNC1 962394424 ATOJKJSRMUVNMB-VGOFRKELSA-N 395.576 3.122 0 1 GGAF CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2Cl)N(C(N)=O)C(=O)N1 13820454 XCKMRLIWGNQJMU-ZDUSSCGKSA-N 386.235 3.364 0 1 GGAF CN(C)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 13832039 WDBKDEREXTVCNX-UHFFFAOYSA-N 377.488 3.337 0 1 GGAF COc1ccccc1N1CCN(CCOC(=O)[C@]23C[C@H]4C[C@@H](C[C@@H]2C4)C3)CC1 1857605177 NBROEQHLZXKNTP-KGYLXKDPSA-N 384.520 3.187 0 1 GGAF COc1cc2cc3[n+](cc2cc1OC)[C@H](CC(=O)O)Cc1cc2c(cc1-3)OCO2 1857610984 FHXZLGQXYWENMN-HNNXBMFYSA-O 394.403 3.112 0 1 GGAF Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N3C[C@@H](C)C[C@H](C)C3)sc2n1 752892 QENSWSUIVAQTCN-STQMWFEESA-N 388.537 3.263 0 1 GGAF CCc1ccc(-c2nc(C[S@@](=O)CC(=O)NCc3cccnc3)c(C)o2)cc1 4035129 QSHWQFXJRWLRPX-NDEPHWFRSA-N 397.500 3.173 0 3 GGAF Cc1ccc2nc(CO[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]3F)[nH]c2c1 2356299797 OKAYUIMFDPTAFC-FOIQADDNSA-N 383.423 3.339 0 1 GGAF C[C@H](O)C1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1 113652996 HXEIWJBTKNXMHO-ZDUSSCGKSA-N 399.882 3.232 0 1 GGAF COc1ccc(C(=O)N2CCc3c(c4c(c(OC)c3OC)CCC4)C2)cc1OC 33824234 FYSFOSYDQMOVPD-UHFFFAOYSA-N 397.471 3.408 0 1 GGAF CNC(=O)c1cnc(NCCc2ccc(O)cc2)nc1Nc1cccc(C)c1 28639697 JVEVQXIVKDWGCE-UHFFFAOYSA-N 377.448 3.248 0 1 GGAF O=C(Cn1c2ccccc2c2nc3ccccc3nc21)NCCN1CCCCC1 31848117 VUTGJBMUMHFTET-UHFFFAOYSA-N 387.487 3.340 0 1 GGAF CC[C@H]1CN2C(=O)N(Cc3ccccc3)c3nc(-c4cc(C)nn4C)[nH]c3C2=N1 72109238 WORWRFFHAOPSQM-HNNXBMFYSA-N 389.463 3.100 0 1 GGAF CC[C@H](C)[C@H](NC(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C)C(=O)O 6358388 YLGBROPVSMFEAZ-BUXKBTBVSA-N 397.427 3.249 0 1 GGAF biogenic COc1cccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 45303235 JKMUYZIVEFPNSR-MSOLQXFVSA-N 378.394 3.333 0 1 GGAF CCC(CC)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)c(F)ccc21 45324738 QOLSJCYMNQRVCZ-UHFFFAOYSA-N 381.344 3.257 0 1 GGAF COc1ccc([C@H]2CC(=O)c3cc(OC)c(OC)c(OC)c32)c(OC)c1OC 40919218 JELOQNSSFIIARN-GFCCVEGCSA-N 388.416 3.457 0 1 GGAF C[C@@]12[C@@H](O)C[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@@]43C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 43422563 MGKUIGIGPUEYOC-CYPFVGAKSA-N 382.500 3.277 0 1 GGAF CCOc1ccc2nc(NCc3c(O)on[n+]3-c3ccc(OC)cc3)sc2c1 98083365 ARZGXCWLSVQQFJ-UHFFFAOYSA-O 399.452 3.286 0 1 GGAF Cc1nc2cccnc2n2c(-c3cc([C@]4(O)CCCOC4)ccc3Cl)nnc12 145968246 SZDURAXJBIDHAJ-FQEVSTJZSA-N 395.850 3.299 0 1 GGAF CCOC(=O)c1ccc(NC(=O)OCCNC(=O)OCc2ccccc2)cc1 68586407 ZIGRMOYBKUMRPL-UHFFFAOYSA-N 386.404 3.338 0 1 GGAF biogenic Fc1ccc(F)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1 653681695 LKVMHHYNRPQUIZ-UHFFFAOYSA-N 396.445 3.200 0 1 GGAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587256692 NGHVLKAEPHOVRR-MRXNPFEDSA-N 379.460 3.396 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@H]1CN(C)CCO1)O2 587379488 VEAKLLKTCKKDDR-TZIWHRDSSA-N 386.879 3.422 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCC(=O)CNC(=O)OC(C)(C)C)O2 587385239 CHJSZSSRFNECMK-CQSZACIVSA-N 376.453 3.175 0 1 GGAF N[C@@]1(c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)CCOC1 587248332 NJHISMZTPXVPJW-SFHVURJKSA-N 390.365 3.408 0 1 GGAF O=C(CCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc(F)cc1 13738302 QHORYEWITOZOQE-UHFFFAOYSA-N 384.451 3.382 0 1 GGAF COC(=O)c1cc2oc1C[C@@H](C(C)C)CC[C@@H]1C[C@@H](C[C@](C)(O)C2)OC1=O 13822120 LZBSJKGMAVYZOA-FQEHYLHMSA-N 378.465 3.290 0 1 GGAF CCOc1cc(OCC)c(F)c([C@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 14953420 DZEPTAZKEKTXAE-KRWDZBQOSA-N 375.400 3.145 0 1 GGAF CC(=O)[C@]1(O)[C@@H](C)C[C@H]2[C@@H]3C[C@@H](F)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 169332304 UOHQEFKIKABMNS-ZKPBKZNNSA-N 382.516 3.019 0 1 GGAF CN1O[C@@](C)(CC(=O)NCc2cccc(C(F)(F)F)c2)N=C1c1ccco1 205228769 IOFJLUIAQBCHGW-KRWDZBQOSA-N 381.354 3.345 0 3 GGAF COC(=O)c1cc(=O)c2cc(NC(=O)N[C@@H](C)c3cccc(OC)c3)ccc2[nH]1 1857640381 PZFGBNDEOVAVFQ-LBPRGKRZSA-N 395.415 3.206 0 1 GGAF COc1ccc(-c2ccc3ncnc(N[C@H]4CCN(C(=O)C5CC5)C4)c3c2)cn1 1857642687 VHJUNSAHYMIUCR-KRWDZBQOSA-N 389.459 3.123 0 1 GGAF Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccccc1Br 2523932 OVCXKEOLTLVSHR-UHFFFAOYSA-N 383.315 3.251 0 1 GGAF COc1ccccc1C1CCN(c2cc(-c3ccncn3)cc(=O)n2C)CC1 66066668 GQTHOMGSRAXQSR-UHFFFAOYSA-N 376.460 3.235 0 1 GGAF COc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(C4CC4)nn(C)c3n2)cc1 117514989 QFDGOCWNMJAKLC-AWEZNQCLSA-N 394.475 3.419 0 1 GGAF COC(=O)[C@]12CC[C@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@H]1CCC=C2C(=O)O 2356604077 RIFWLYFSFDHWNO-YIYHLHOYSA-N 388.416 3.264 0 1 GGAF O=C(Oc1coc(COC2CCOCC2)cc1=O)C12CC3CC(CC(C3)C1)C2 26004228 XRRBYYFNMHPMPK-UHFFFAOYSA-N 388.460 3.457 0 1 GGAF COc1cc(-c2ccc(-c3ccc(NC(=N)N)c(OC)c3)o2)ccc1NC(=N)N 26182347 FJLOEWWZWCJKNF-UHFFFAOYSA-N 394.435 3.242 0 1 GGAF C[C@@H]1c2nnn(-c3ncccn3)c2CCN1C(=O)c1ccc(Cl)cc1Cl 225991418 QCYUCLKQXJJFRJ-SNVBAGLBSA-N 389.246 3.124 0 1 GGAF Cc1nc2cccc(-c3cc4c([nH]3)[C@H](CCO)NC4=O)c2nc1NC(C)(C)C 222412281 JKCKHRWRMSOFHW-HNNXBMFYSA-N 379.464 3.311 0 1 GGAF CC(=O)c1ccc2[nH]c(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)cc2c1 40916059 QSYNMIIEBDBTDF-UHFFFAOYSA-N 379.435 3.468 0 1 GGAF COc1cc([C@H](O)[C@@H](C)Oc2c(OC)cccc2OC)cc(OC)c1OC 84739094 BPOHDVXHOPPVCQ-KZULUSFZSA-N 378.421 3.231 0 1 GGAF COc1ccc2c(CS(=O)(=O)c3ccc(Cl)cc3)cc(=O)oc2c1OC 84670140 PSHAVKHSGDOZCY-UHFFFAOYSA-N 394.832 3.438 0 1 GGAF CC(C)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](C)CN2 82212225 MTNRAGJVYVTXHL-LLVKDONJSA-N 397.306 3.420 0 1 GGAF COc1ccc(-n2cnc3c(sc4ncnc(NC5CC5)c43)c2=O)c(F)c1 95558671 VLNCDPLZLCWLTA-UHFFFAOYSA-N 383.408 3.112 0 1 GGAF O=C(NC1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCCC1 95667521 DNJRSVCHQAYCPE-FCHUYYIVSA-N 397.563 3.344 0 1 GGAF CCOC(=O)[C@H](C)Oc1cc(N2C(=O)[C@@H]3CCCC[C@H]3[C@@H]2O)c(F)cc1Cl 299846565 UXOCOOGEWMHURA-AEMSQSNESA-N 399.846 3.281 0 1 GGAF CS(=O)(=O)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586996465 QFHUNCOZDLYAKY-UHFFFAOYSA-N 394.294 3.384 0 1 GGAF COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 587774501 VXVXXONWQOVHKJ-FVMDXXJSSA-N 379.229 3.393 0 1 GGAF COc1ccc(Cn2cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)nn2)cc1 587391245 LYLAFVNMYUTHRV-NRFANRHFSA-N 378.432 3.106 0 1 GGAF COC(OC)[C@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587738717 CBSZWHZJISQALJ-XMDPKCGCSA-N 387.293 3.012 0 1 GGAF CC1=C(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[C@@H](C)N2NC=NC2=N1 586989641 NQVRMRDNJGYYAZ-GFCCVEGCSA-N 395.422 3.489 0 1 GGAF CC(C)(C)OC(=O)N1CC[C@]2(C1)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962764256 KYZYWWAETSFCRS-KBXCAEBGSA-N 384.398 3.168 0 1 GGAF O=C([C@@H]1Cc2ccccc2[C@](c2ccccc2F)([C@@H]2CCNC2)N1)C(F)(F)F 962769608 SJQLXTYYMVFXTJ-WNYOCNMUSA-N 392.396 3.325 0 1 GGAF O=C(O)CCC(=O)N[C@@H](CC(=O)O)Cc1ccc(-c2ccccc2Cl)cc1 166112490 XEOHSKRBTKLXRC-OAHLLOKOSA-N 389.835 3.374 0 1 GGAF Cc1cccc(NC(=O)c2cc3n(n2)CCCN(C(=O)c2occc2C)C3)c1 1772582110 OMQBVHVNPOMENF-UHFFFAOYSA-N 378.432 3.391 0 1 GGAF CCCn1c(=O)c2c(nc(/C=C/c3cc(F)cc(F)c3)n2C)n(CCC)c1=O 13827013 NTJYSTVPBSPFJQ-VOTSOKGWSA-N 388.418 3.165 0 1 GGAF Cc1nc(-c2cnn(C)c2-c2ccc(C(F)F)cn2)c2c(N3CCC3)ncnn12 169697388 KQVRKWATQSHETI-UHFFFAOYSA-N 396.405 3.043 0 1 GGAF Cc1ccc(-n2nc(-c3conc3C)cc2NC(=O)c2cnn3cccnc23)cc1 204756872 OOXSMTKWEHJCFU-UHFFFAOYSA-N 399.414 3.439 0 1 GGAF O=C(Cc1ccccc1)N1N=C(c2c(F)cccc2F)C[C@@]1(O)C(F)(F)F 1857752669 YKXHLIDZDUSYCG-QGZVFWFLSA-N 384.304 3.395 0 1 GGAF O=C(NC[C@H]1CCCO1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 1343481 MWABVAWPDWCXFT-IUODEOHRSA-N 386.279 3.285 0 3 GGAF CCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)c2cccnc12 4148107 UBVSVAKDGOHCDZ-UHFFFAOYSA-N 388.445 3.452 0 1 GGAF CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc4ncsc4c3)n2)c(=O)c1=O 101595811 VDGBGQVBOFMCSF-UHFFFAOYSA-N 394.460 3.380 0 1 GGAF C[C@H](c1nc(-c2ccc(S(C)(=O)=O)cc2)no1)[C@H](N)C(F)=C1CCCC1 29126130 ZCZMVYLLMXKMON-ZBEGNZNMSA-N 379.457 3.369 0 1 GGAF OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCCCC4)cc(Cl)nc32)C[C@@H]1O 27325836 FQYKSUYXQAKFFJ-ZMSDIMECSA-N 394.903 3.250 0 1 GGAF CC(C)n1c2cnccc2c2cnc(Nc3ccc(N4CCNCC4)cn3)nc21 117690554 TYGZNILAIKKAQS-UHFFFAOYSA-N 388.479 3.109 0 1 GGAF CC(=O)c1c(Cl)n([C@H]2C[C@H](O)[C@@H](CO)O2)c2cc(Cl)c(Cl)cc12 28462343 PTFUJTPAMNZPDV-YNEHKIRRSA-N 378.639 3.445 0 1 GGAF CC[C@@H]1C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1C(=COC)C(=O)OC 2356871162 XXZOQSSCBPFYEH-IYJAJMOOSA-N 382.460 3.343 0 1 GGAF CC[C@@H](C(N)=O)N1C[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O 34291472 CYKQOGRIBMLQSQ-SKDRFNHKSA-N 382.304 3.304 0 1 GGAF C=C[C@](C)(O)[C@@H]1OC[C@]2([C@H](C)CC[C@]3(C)C(C)=CC(=O)C[C@H]32)[C@H]1OC(C)=O 15157256 VQKYCOGSSNIRIC-YPUFQASCSA-N 376.493 3.212 0 1 GGAF biogenic CC(C)Oc1cc2c(-c3cc(N4CCc5oncc5C4)ncn3)n[nH]c2cc1F 225565803 LBCCFYKQQGYNNI-UHFFFAOYSA-N 394.410 3.497 0 1 GGAF CCOC(=O)Nn1c(-c2ccc(OC)cc2)c2cc3c(cc2cc1=O)OCO3 45349977 GODLQWDKGMKRPW-UHFFFAOYSA-N 382.372 3.106 0 1 GGAF CC(C)(C)NC(=O)NC(=S)NC(=O)[C@@H]1[C@H](/C=C(\Cl)C(F)(F)F)C1(C)C 40862071 DTMMRFMBPZOSGG-BAHSTFSOSA-N 399.866 3.442 0 1 GGAF NC(=O)CCn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144863895 ZLHLOVRVURSBDP-LJQANCHMSA-N 387.361 3.204 0 1 GGAF CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)NCc2cccnc2)cn1 144518225 CMJWAWCQWNYYPT-UHFFFAOYSA-N 390.447 3.292 0 1 GGAF CCNC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 96286042 KXYWMKRIKCLADT-INIZCTEOSA-N 393.486 3.476 0 1 GGAF CCCCCC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 299812481 ZIKBTZZAYKAEPP-LTSYSURUSA-N 397.515 3.309 0 1 GGAF COC(=O)c1cc2nc(C[C@H]3COCCO3)[nH]c2c(F)c1Nc1ccccc1 586910901 TVMAECGHDRMRLY-ZDUSSCGKSA-N 385.395 3.190 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)n[nH]c2C(=O)O)N1 587706949 TUSHLKDBKVHVKW-DYEAUMGKSA-N 388.624 3.287 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(N3CCC(O)CC3)ccc1N)O2 587392723 CDMGJVVOLKTAKU-QFIPXVFZSA-N 381.476 3.001 0 1 GGAF O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Cl)cnc3[nH]2)c1)N1CCC1 586955088 FMGFUXIZNGUTLV-UHFFFAOYSA-N 383.260 3.326 0 1 GGAF COC(OC)[C@@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587738719 CBSZWHZJISQALJ-XUZIUYAISA-N 387.293 3.012 0 1 GGAF COc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)n1 587776318 WNMAJWVHXXQOJO-RTHLEPHNSA-N 382.233 3.019 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1F)[C@@H](C2)C3=O 587427598 JXAPNJPRYXMFNI-XBHMSOGKSA-N 377.412 3.160 0 1 GGAF O=[S@](CCCc1nc2nc(Cl)c[nH]c-2n1)c1ccc(Br)cc1 586959283 KGMZZJYAVQXTKX-JOCHJYFZSA-N 399.701 3.461 0 1 GGAF O=C1c2ccc(O)cc2O[C@](Cn2cncn2)(C2CC2)[C@@H]1c1ccc(F)cc1 587343010 QWFMWDYBRCTIHZ-TZIWHRDSSA-N 379.391 3.331 0 1 GGAF CCn1nc(C)c2c(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc(C)nc21 587652910 NSSIPRLPVMOFLD-UHFFFAOYSA-N 381.823 3.120 0 1 GGAF CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399383 JOXQLBBDRVBUOR-UGKGYDQZSA-N 397.427 3.090 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CS(=O)(=O)c3ccccc32)N1 587848069 ZFUHMXHEJRRGPJ-BMLIUANNSA-N 396.281 3.153 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CC[C@@H]1NC(=O)OCc1ccccc1)[C@@H](C2)C3=O 587432935 NPTMNCINVJVVDI-SGXKBVARSA-N 379.412 3.270 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C(=O)N(CC4CCC4)c4ccccc41)[C@@H](C2)C3=O 587436620 SHFIVADEGFPKPB-GAJHUEQPSA-N 375.424 3.485 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3[nH]c(=N)sc3C2)N1 587856537 IHQBKCXSXWSEBM-BCTVWOGZSA-N 382.302 3.376 0 1 GGAF CS(=O)(=O)Nc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 586950777 LYEXCPYLTVAUIW-UHFFFAOYSA-N 391.762 3.064 0 1 GGAF CC(C)(CN1CCOCC1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592699 ITVGTXVUYSMTPY-GHTZIAJQSA-N 383.444 3.081 0 1 GGAF COc1ccc2c(c1OC)[C@]1(c3cc(Cl)ccc3OC[C@H]1N)N(C)[C@H](C)C2 962575050 VNOHUNLVUQBWJY-HXGDPMPDSA-N 388.895 3.197 0 1 GGAF COc1cc([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)c(OC)c(OC)n1 962573493 SCZSUEKXGBIZAL-SGTLLEGYSA-N 388.464 3.090 0 1 GGAF C[C@]1(c2cc3ccccc3oc2=O)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963216729 AGPHNDIJDCRONN-AUSIDOKSSA-N 386.407 3.204 0 1 GGAF C[C@H](CC(=O)O)[C@@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962891588 BZVJXJYHJZDEDB-MSIBFWPZSA-N 391.826 3.432 0 1 GGAF CCCN(C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21)S(C)(=O)=O 149595464 HFSMQOQJALMELO-OAHLLOKOSA-N 396.459 3.105 0 1 GGAF CO[C@H](c1ccccc1)c1nnc(CCC(=O)N(C)CCc2ccccc2)o1 12386635 PABUIDWORFLAJC-OAQYLSRUSA-N 379.460 3.439 0 3 GGAF CC(C)c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3cccnc3C2)n(C)n1 1857567507 AMYIWKJHJJJSRD-UHFFFAOYSA-N 393.447 3.249 0 1 GGAF OCCOc1ccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)s2)cc1 1857615939 KRZKJHXQYBYJJT-IBGZPJMESA-N 396.516 3.311 0 1 GGAF CC[C@@]12CC[C@@]3(COC(C)=O)[C@@H](CCC4=C5[C@H](CC4)[C@H](C(=O)OC)C[C@@]513)CN2 2356419976 KSROFXNZRLENBT-YSHQQQKFSA-N 387.520 3.378 0 1 GGAF COc1ccc(NC(=O)N2C[C@@H](F)[C@H](OCc3nc4ccccc4[nH]3)C2)cc1 2356299858 POXLEZWBHKHVBL-CRAIPNDOSA-N 384.411 3.343 0 1 GGAF COC(=O)c1ccc2nc(CO[C@@H]3CN(Cc4ccccc4)C[C@H]3F)[nH]c2c1 2356302230 PGXRZYJMPOJOQW-VQIMIIECSA-N 383.423 3.089 0 1 GGAF O=C1OCCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)OCC1=N2 26948704 MZHBVRDYNBBICM-GFCCVEGCSA-N 380.169 3.127 0 1 GGAF COc1cc2c(cc1F)OC[C@]21C(=O)N(Cc2ccccn2)c2ccccc21 103177606 AHIDWEDOSKKCJL-JOCHJYFZSA-N 376.387 3.455 0 1 GGAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](N(C)C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356656781 YZLCCXCWOSVNPY-HVMFKWBLSA-N 377.569 3.250 0 1 GGAF CCO[C@]1(C)CCC(C(C)C)=C[C@H](O)[C@](C)(O)CCC=C(CO)CC[C@@H]1O 2356806198 VPDZUMODCUBCQJ-FNAHDJPLSA-N 384.557 3.110 0 1 GGAF Cc1c(CNO)c2cc(Br)ccc2n1S(=O)(=O)c1ccccc1 35086823 COOAHIHXYGMJJU-UHFFFAOYSA-N 395.278 3.428 0 1 GGAF N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1 39145543 JGFCNVHEEMBVJG-MOPGFXCFSA-N 391.943 3.245 0 1 GGAF in-vivo Cc1ccc(N2CCC[C@H](CO)C2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C 216499702 BVLDTCPPYOKJCV-INIZCTEOSA-N 397.475 3.166 0 1 GGAF COCCOc1cc(C)c2c(c1C)[C@H](O)[C@H]([C@H](C)C(=O)N1CCCC1)CC2 4222603 HXCUJONCFQGFQG-UQASEVPWSA-N 375.509 3.183 0 1 GGAF biogenic CN1C[C@H](c2cn(C)cn2)[C@@H]([C@H](OC(=O)c2ccccc2)c2ccccc2)C1=O 13430793 VEEGOOQCXICNQB-HLAWJBBLSA-N 389.455 3.190 0 1 GGAF biogenic COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccnc(-n2cccn2)c1 215901339 DKOWJSXOHAAFJN-DOTOQJQBSA-N 392.459 3.394 0 1 GGAF Cc1nonc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C(F)(F)F)cc1 45258921 AARVWQDWIQFKJC-AWEZNQCLSA-N 391.353 3.390 0 1 GGAF CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4nccnc4c3)c2)cc1 84707661 ISFQOUBZTDIQBI-UHFFFAOYSA-N 376.441 3.345 0 1 GGAF COCC(=O)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@@H]1c1ccc(OC)cc1 40812345 KGTOBFYSBDZBQS-AVRDEDQJSA-N 380.444 3.200 0 1 GGAF Cc1cc(Nc2nn(C(C)C)c(=O)c3cc(C(=O)OCC4CC4)ccc23)n[nH]1 40406971 ISFCSFFXAIPUHG-UHFFFAOYSA-N 381.436 3.319 0 1 GGAF COCc1cn(C2=NCC(=O)N3CCc4c(cccc4C(C)(C)C)C3=C2)cn1 149265235 NNAQSFPNKRJTCE-UHFFFAOYSA-N 378.476 3.013 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(C=C(CN3CCCCC3)OCC1=O)CC2=O 587477504 YGMWNQBRLCJXAC-JOCHJYFZSA-N 385.460 3.018 0 1 GGAF COc1ccc([C@]2(CO)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587806694 IKAFDANOCVJREP-ZMZPIMSZSA-N 380.257 3.367 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNC(=O)c1ccco1 587861942 DYKFUJDPQWHTFL-UHFFFAOYSA-N 393.321 3.241 0 1 GGAF CCOc1cc(-n2c(OC)cc(C(=O)OC)c2OC)c(Cl)cc1C(=O)O 587941657 RHSPEKGCSKESTB-UHFFFAOYSA-N 383.784 3.031 0 1 GGAF CCOC(=O)c1nn(C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587761396 BDZPADYRWXJLRM-PSLIRLAXSA-N 396.260 3.122 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(c4cc(OC)c(OC)cc4C[C@H]1N=O)[C@@H](C2)C3=O 587431190 ZKHAKBAZGRPYOR-HLLQZAQXSA-N 381.384 3.046 0 1 GGAF CN1CCN(c2ccc3nc(-c4c(Cl)c(C(F)(F)F)nn4C)[nH]c3c2)CC1 587117150 PZOYXWOQAMMSHX-UHFFFAOYSA-N 398.820 3.387 0 1 GGAF CC(C)(C)n1cc(O)c([C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)n1 962730202 MHHUCIBDLMIRLA-SCLBCKFNSA-N 381.398 3.253 0 1 GGAF CN1C(=O)c2c(nc(C(F)(F)F)n2Cc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 13763697 LHOSZRWWPIJINL-OLZOCXBDSA-N 389.381 3.133 0 1 GGAF O=C1[C@H]2CCCN2C(=O)c2sc(N3CCCCC3)nc2N1Cc1ccccc1 1857575921 LEWKYWAPBRHSHF-MRXNPFEDSA-N 396.516 3.285 0 1 GGAF COc1ccc(-c2cc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1 1857630142 FFBYOKPCSGFOCS-UHFFFAOYSA-N 380.404 3.426 0 1 GGAF CCCCC[C@](C)(O)/C=C/[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CC=C=CCCC(=O)OC 4214220 GNIYHUSSKSFYBD-UWCUQPRBSA-N 380.525 3.286 0 1 GGAF in-man CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)c2ccco2)C1 4612118 YHRSCQHSHLSNRD-MISYRCLQSA-N 396.487 3.483 0 1 GGAF O=C(O)[C@H](CCC(=O)N1c2ccccc2C[C@@H]1C(=O)O)CCc1ccccc1 28265150 YDLSLXIGMPNXTQ-QFBILLFUSA-N 381.428 3.143 0 1 GGAF COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCOCC5)C[C@@H]3N4)cc2)c1 100108913 AJBUMCZTMHNJAQ-JKHIJQBDSA-N 392.499 3.055 0 1 GGAF Cc1noc(C)c1Cn1cc(NC(=O)c2ccc3c(c2)OC(F)(F)O3)cn1 116767401 SWTSUKUZFWJAGT-UHFFFAOYSA-N 376.319 3.110 0 1 GGAF O=C(CN1CCC(c2cccc[n+]2[O-])CC1)Nc1cccc(Cl)c1Cl 38149993 OCXMODMOCLTXOM-UHFFFAOYSA-N 380.275 3.445 0 1 GGAF Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)OCC(C)(C)N(C)C)co2)cc1 82073394 YQWDALSCYFZDLA-GOSISDBHSA-N 399.491 3.138 0 1 GGAF O=C1[C@H]2Cc3ccccc3N2C(=O)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1 87723012 RQBRITDEFQQRGE-CQSZACIVSA-N 397.239 3.076 0 1 GGAF Cc1ccccc1C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 82196113 MNPRCVQZYUECJX-UHFFFAOYSA-N 398.466 3.436 0 1 GGAF NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(F)cn3)ccc2Cl)[C@H]2C[C@H]2O1 226070531 CDTBFGFUVJVAER-WBHUJUFNSA-N 392.793 3.025 0 1 GGAF Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC5(CC4)CC5)ccc23)cn1 221610604 FCFSGHKXMYMUSV-UHFFFAOYSA-N 375.476 3.110 0 1 GGAF CN[C@H]1C[C@H]2c3[nH]c4c(-c5ccccc5)cccc4c3CCN2C(=O)[C@H]1[C@H](C)O 199737771 WMIUINFSVUZIRO-CXTHYWKRSA-N 389.499 3.249 0 3 GGAF C[C@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)C 95872592 ICBPOKCISFMJKJ-BSRJHKFKSA-N 396.531 3.273 0 1 GGAF COc1cc(Nc2nccc(-n3cc(C)c(CN(C)C)c3)n2)cc(OC)c1OC 473117981 JINKHEXGOBBTJS-UHFFFAOYSA-N 397.479 3.407 0 1 GGAF Cn1ccc(NC(=O)c2cn(Cc3ccc(-n4cccn4)cc3)c3cccnc23)n1 653785865 DHRDIENMVNDVSW-UHFFFAOYSA-N 397.442 3.256 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cn1c(=O)oc2ccccc21 587587712 OCAKBILEQFFZMJ-MOPGFXCFSA-N 389.363 3.331 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCCN1C(=O)c3ccccc3C1=O)O2 587390011 FDAROFOWVUHMTD-QFIPXVFZSA-N 378.428 3.378 0 1 GGAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 586963579 OMXKUHDNSMBWTM-KRWDZBQOSA-N 399.520 3.443 0 1 GGAF OCc1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 587119446 WILHIGLEVIJSAU-UHFFFAOYSA-N 389.175 3.276 0 1 GGAF O=Cc1ccc(OCCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 587566361 ISGCSKOSZHVJFR-UHFFFAOYSA-N 389.205 3.458 0 1 GGAF COc1cc(OC)c2[nH]c(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 587094371 QQYQAEOYBXEILF-OAHLLOKOSA-N 387.383 3.338 0 1 GGAF Clc1nccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1Br 586978893 BQWVVGHPTYMNCH-UHFFFAOYSA-N 376.605 3.017 0 1 GGAF O=S(=O)(O)c1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120239 DSFMJEUFFXQDOC-UHFFFAOYSA-N 382.323 3.372 0 1 GGAF O=C1C[C@@H](Cc2nc3cc(F)cnc3[nH]2)c2c(Br)cccc2O1 587001902 AFKRYUBTGHDAMQ-MRVPVSSYSA-N 376.185 3.495 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(O)ccc(O)c21 587405514 XJMLEDNGJDBNHS-QHCPKHFHSA-N 387.391 3.442 0 1 GGAF C[C@@]1(c2cn(Cc3ccc(Cl)cc3)nn2)NCCc2nc3ccccn3c21 962990679 SHAGIHYTEPLNLP-FQEVSTJZSA-N 378.867 3.037 0 1 GGAF CC(C)Cc1cc([C@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)n[nH]1 962644010 SXAVHBZECSXVTF-CVEARBPZSA-N 383.370 3.195 0 1 GGAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1cn(Cc2ccccc2)nn1 963035448 NDGZRFNSMSFRKO-QHCPKHFHSA-N 385.471 3.292 0 1 GGAF CCCc1n[nH]cc1[C@@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963154302 WTOIRRPMMPNLSS-UONOGXRCSA-N 392.481 3.155 0 1 GGAF CN(C)c1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1 205722950 VOCLXCQELMHFCI-SFHVURJKSA-N 379.243 3.472 0 1 GGAF NC(=O)c1c(F)ccc(OC[C@@H]2COc3ccc(C(F)(F)F)cc3O2)c1F 1772593125 LIXJEDYBEBTEJV-VIFPVBQESA-N 389.276 3.301 0 1 GGAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N[C@@H](CP(=O)(O)O)C(=O)O 13742383 WNJLAHFABBCSSD-RSXQAZDNSA-N 387.413 3.153 0 1 GGAF Cc1ccccc1S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)cc1 13760170 GGWJIYRHWWWLAN-MRXNPFEDSA-N 387.379 3.080 0 1 GGAF CCC[C@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCC2)CC1 19501912 BNXLMJUHMLQMMU-OAQYLSRUSA-N 382.556 3.317 0 3 GGAF O=C1c2ccccc2C2=NC(=S)N[C@H](c3cccc(OCCCCO)c3)[C@H]12 169726092 QMAKEHDYYGZJGC-ZWKOTPCHSA-N 380.469 3.069 0 1 GGAF CCc1[nH]c(=N)[nH]c1-c1cn(S(=O)(=O)c2ccccc2)c2ccc(OC)cc12 1857578376 AFTOBIAKNPTOEU-UHFFFAOYSA-N 396.472 3.252 0 1 GGAF O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(Cl)c(Cl)c3)ccc2O1 103262778 UNJKFQIAKWNWPS-UHFFFAOYSA-N 395.227 3.329 0 1 GGAF CCC[C@H](C)N1CCN(C(=O)c2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1 103173554 OCAXSQKHIJNDMJ-HNNXBMFYSA-N 399.560 3.264 0 1 GGAF O=C(Nc1ccc(Cl)nc1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O 100013272 CDRHLZVMNXPKIL-UHFFFAOYSA-N 392.802 3.392 0 1 GGAF CCc1cc(-c2ccccc2)cc(CC)[n+]1Cc1ccc(S(N)(=O)=O)cc1 27987080 BVQWOCGRQRPDEK-UHFFFAOYSA-N 381.521 3.462 0 1 GGAF COc1c2ccoc2nc2c(OC)c(O[C@@H](OC(C)=O)[C@@H](O)C(C)C)ccc12 2356464965 GVNWBELMQDFVHC-OXJNMPFZSA-N 389.404 3.283 0 1 GGAF CN(C)CCNC(=O)c1cc2c3c(cccc3n1)C(=O)c1cccc(Cl)c1-2 26164297 HREHFVJUGQXZCH-UHFFFAOYSA-N 379.847 3.391 0 1 GGAF Nc1ncc(-c2ccc(-c3ccccc3C(=O)NC3CCOCC3)cc2F)cn1 224723664 AUHXSHOFHPKNEZ-UHFFFAOYSA-N 392.434 3.441 0 1 GGAF O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCC(=O)N1Cc1cccnc1 95565879 REVMNCWOWZSCJH-MRXNPFEDSA-N 378.259 3.196 0 1 GGAF COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CC2)[C@@H](CO)N3C)cc1 95877448 QTNUUMMEOUFNGW-UEVCKROQSA-N 392.499 3.473 0 1 GGAF Cc1cnc2c(NCCN3CCNCC3)nc3cc(-c4ccccc4)sc3n12 96258279 DMLRYQRZNYXCBZ-UHFFFAOYSA-N 392.532 3.237 0 1 GGAF CCN(C[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(C)=O)C(C)=O 95872032 PTWURQHCWPXKHS-DNVJHFABSA-N 384.520 3.188 0 1 GGAF Cn1ncnc1CCN[C@@H]1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)C1 618012348 BJDAZIFXFPJVSD-LJQANCHMSA-N 386.503 3.374 0 1 GGAF O=C1c2c(nc3ccccn23)N=C(c2cc(O)ccc2O)N[C@H]1Cc1ccccc1 299855956 BIJHBEFNVKYPRL-KRWDZBQOSA-N 398.422 3.221 0 1 GGAF Cc1ccnc2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12 587170456 DBHCXNNHRHTHQV-SFHVURJKSA-N 396.447 3.473 0 1 GGAF O=S(=O)(O)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587115933 FTNHHBGLQWJSBA-UHFFFAOYSA-N 394.334 3.439 0 1 GGAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cccc(OC(F)F)c1 587637704 OCVPJTFFHSKQJN-UHFFFAOYSA-N 389.310 3.485 0 1 GGAF O=S(=O)(NCc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(F)c(F)c1F 587136017 VGQIALMIIOOKCE-UHFFFAOYSA-N 395.406 3.338 0 1 GGAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 587934020 ACBGZQJYTZRTAM-QVKFZJNVSA-N 380.492 3.160 0 1 GGAF Cc1ncc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cn1 587656818 QJYWMVAXTZLHFF-UHFFFAOYSA-N 378.338 3.129 0 1 GGAF CC1(C)OC(C(=O)O)=C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352219 KKVCALPXTYAZRC-DYESRHJHSA-N 384.359 3.406 0 1 GGAF COC(=O)[C@H]1C(=O)Cc2nc3ccc(O)c4c3c(c2[C@@H]1C)-c1ccccc1C4=O 586992719 SHGKGDZUTUARMW-XTZNXHDOSA-N 387.391 3.170 0 1 GGAF CC(=O)c1cnn(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578631 ATZVSGHQIWBIHE-LAUBAEHRSA-N 378.384 3.205 0 1 GGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CC(=O)c1cnn(C)c1C)C(F)F 963612590 SRYLUFHVJYVIOU-GIPWTMENSA-N 393.434 3.013 0 1 GGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc(Cl)cc3c2OCOC3)N1 963228394 RPZNZPHRKJCZST-RBUKOAKNSA-N 396.830 3.443 0 1 GGAF CC(C)N(C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21)S(C)(=O)=O 149351897 KHADGHBVAHEBCO-OAHLLOKOSA-N 396.459 3.104 0 1 GGAF CN(CC1CC1)C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 13802501 MWPMCHSWQPQIKJ-UHFFFAOYSA-N 392.551 3.487 0 1 GGAF O=C1c2ccccc2C2=NC(=S)N[C@@H](c3cccc(OCCCCO)c3)[C@@H]12 169726089 QMAKEHDYYGZJGC-MSOLQXFVSA-N 380.469 3.069 0 1 GGAF Cc1cccc2cc(-c3cnc4ccc(OCCCS(C)(=O)=O)nn34)oc12 205063318 XFVVHIYODBWRAT-UHFFFAOYSA-N 385.445 3.264 0 1 GGAF COCCn1cc(C(=O)N2CCC[C@H](C)C2)c2c3ccccc3n(C)c2c1=O 4057211 HCOZBAJIVJNONH-HNNXBMFYSA-N 381.476 3.012 0 3 GGAF O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F 4206738 QTCROKLYTNIXPQ-DOTOQJQBSA-N 397.233 3.333 0 1 GGAF CCCOc1ccc(NC(C)=O)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 8577231 BJFIEQZXSLWHBF-UHFFFAOYSA-N 383.452 3.023 0 1 GGAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@H](C)[C@H](C)O)CN(C)[C@@H]1C2 9224243 JQYLIGHHVGCTPR-COVSOMHOSA-N 384.520 3.495 0 1 GGAF COc1cccc(-c2nnc(CN3CCC(n4nc5ccccc5n4)CC3)o2)c1 103177501 WXMIFGVZFNGUKU-UHFFFAOYSA-N 390.447 3.327 0 1 GGAF CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1 103252830 PXDXGCHQPAYYEN-UHFFFAOYSA-N 394.378 3.210 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4F)cc(O)c31)[C@H]1CC[C@H](C2)N1 100633328 NJAUOABWSCKCKE-IAQYHMDHSA-N 386.448 3.205 0 1 GGAF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(SC(F)(F)F)cc1)C2 102286106 ILZAEDZILDCJHM-JTQLQIEISA-N 375.328 3.381 0 1 GGAF O=P(O)(O)C(F)(F)c1ccc2cc(C(F)(F)P(=O)(O)O)ccc2c1 27106640 YYJPARMJFPRWRS-UHFFFAOYSA-N 388.146 3.294 0 1 GGAF CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2c2cc(C(=O)NC(C)C)no2)cc1 61928245 YOGOEIVWFQWKAO-SFHVURJKSA-N 398.463 3.139 0 3 GGAF CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCC2)C1 36146043 YLILBYAOONYFQJ-KRWDZBQOSA-N 399.601 3.047 0 1 GGAF O=c1[nH]c2ccc(Cl)cc2n1S(=O)(=O)c1cccc(OC(F)(F)F)c1 45373395 VNSSLTNDTXIGPM-UHFFFAOYSA-N 392.742 3.119 0 1 GGAF C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4C)cc3n2C1 147841491 QSHMNFWQOCRSHJ-CYBMUJFWSA-N 387.443 3.160 0 1 GGAF CCN(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(=O)c1ccncc1 95895094 OPNPVISNSSGKSU-XPWALMASSA-N 391.515 3.228 0 1 GGAF c1cc(-c2cc3ccccc3[nH]2)cc(N2CC[C@@H](NCCN3CCOCC3)C2)c1 618012665 VDCIVDCZQJBJJO-OAQYLSRUSA-N 390.531 3.335 0 1 GGAF CCCN1CC([N+](=O)[O-])=C2N(C[C@H]3CCC[C@@H]3N2Cc2ccc(Cl)nc2)C1 299847939 TVLPSSZZIGNLEH-CVEARBPZSA-N 391.903 3.150 0 1 GGAF COc1ccc(-c2cc(CO)c3c(OC)c(OC)c(OC)cc3n2)cc1OC 653724726 DFWXFQXTVWBMCD-UHFFFAOYSA-N 385.416 3.437 0 1 GGAF Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc2ncnn12 587798784 WDKWGOULTRJNNY-HUTHGQBESA-N 390.260 3.132 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CC(=O)N(C(=O)OC(C)(C)C)C1(C)C)[C@@H](C2)C3=O 587437530 JIVFXMHGZXWHSK-YEJXKQKISA-N 387.432 3.127 0 1 GGAF Cn1nc(C(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587557729 SPDWRVNNOBIZCM-CXAGYDPISA-N 388.326 3.472 0 1 GGAF CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587393375 HJGVBLWXNCKCDQ-MBSDFSHPSA-N 394.471 3.371 0 1 GGAF CCCc1sc(=N)[nH]c1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587013330 KMTRLJLPNQXOHY-UHFFFAOYSA-N 390.412 3.345 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCn3nc(C(=O)O)cc32)N1 587797741 SGGVDMRYTIKHJH-HUTHGQBESA-N 394.244 3.055 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(N)=O)N1 587740413 AUDVMXYHPMDEPH-XTZNXHDOSA-N 393.256 3.076 0 1 GGAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@]2(CCCc3c(O)cccc32)N1 962636980 QGDGFYDLNOMOER-APWZRJJASA-N 393.361 3.470 0 1 GGAF COc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@@H]4CCCN4)c3c2)cc1 13607641 WZRYANHUYXSNAH-HNNXBMFYSA-N 385.489 3.272 0 1 GGAF COc1ccc(/C=C(/NC(=O)c2cccc(Br)c2)C(=O)O)cc1 17143533 LVWLROZAQRCUFE-OQLLNIDSSA-N 376.206 3.313 0 1 GGAF CCCC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169360781 ZQHVKFMMNIRWPN-YTVFBIFFSA-N 395.499 3.006 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N4CC=CC4)n3)C2)cc1 169709919 CRARKQMTWOZPOH-LAUBAEHRSA-N 392.503 3.313 0 1 GGAF CCCCCCOc1ccc(OCCCC(=O)C(=O)NCCCC(=O)O)cc1 1857587795 ARNVTNLHAGOYHC-UHFFFAOYSA-N 393.480 3.355 0 1 GGAF CCCCN=c1[nH]c(=N)[nH]c2c1CN(Cc1cccc(Cl)c1Cl)CC2 1857772051 UDHZRUPFSREXSR-UHFFFAOYSA-N 380.323 3.388 0 1 GGAF COc1cc(OC)cc(N2NC3=CC[C@@H](OC)O[C@@]3(c3ccccc3)CC2=O)c1 66259160 LWPRUJATYQKPAB-FCHUYYIVSA-N 396.443 3.117 0 1 GGAF O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1C(=O)N2CCCc3cc(F)cc1c32 100658499 WFLAEKBUUZZTRA-OAHLLOKOSA-N 394.431 3.359 0 1 GGAF Brc1ccc(OCCO[C@@H]2CCCC[C@H]2N2CCOCC2)cc1 28653630 ZRKQIHYNSZCMGE-QZTJIDSGSA-N 384.314 3.488 0 1 GGAF Oc1c2c(nn1-c1ccc(Cl)cc1)[C@H]1CN(Cc3ccncc3)CC[C@@H]1N=C2 27082928 LDXAQEAQNGTFAB-OALUTQOASA-N 393.878 3.417 0 1 GGAF O=C1c2cc3c(cc2OCN1CCc1cccc(Cl)c1)C(=O)N1CCC[C@H]1O3 72170880 KVEQZHBZEMTFTL-LJQANCHMSA-N 398.846 3.329 0 1 GGAF CCC(=O)N1CCC(n2cc(-c3noc(-c4ccc(Cl)cc4)n3)nn2)CC1 71317747 USNTWSOLCGPBTG-UHFFFAOYSA-N 386.843 3.222 0 1 GGAF CC(C)(NC(=O)/C=C/c1cccc(O)c1)C(=O)NCCc1c[nH]c2ccccc12 40394695 GHDIIGLHENQEKJ-ZHACJKMWSA-N 391.471 3.140 0 1 GGAF CC(=O)NCCNc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccccc2)n1 82132794 XHXHGVGCFVALNA-HNAYVOBHSA-N 395.507 3.000 0 1 GGAF CCCNC(=O)c1c(NC(=O)C23C[C@@H]4CC2C[C@@H](C4)C3)sc2c1CCNC2 84604314 BWGIYWVDKHISHC-LSSCCRBESA-N 387.549 3.298 0 1 GGAF CCCc1cccc2c1CCN1C(=O)CN=C(n3cnc(-c4ncco4)c3)C=C21 149253590 YNXWIWIZFMWKTF-UHFFFAOYSA-N 387.443 3.177 0 1 GGAF CN(C)Cc1ccc(-c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)c(F)c2)cc1 230558646 XEUWUJOCUUSKDF-SFHVURJKSA-N 392.496 3.012 0 1 GGAF CN(c1ncc(Cl)cn1)[C@@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 145817072 VZBKYZOQPUIFQS-CYBMUJFWSA-N 388.830 3.302 0 1 GGAF Cc1ccc(N2CCCN(c3ccnc4sc(C(N)=O)c(N)c34)CC2)cc1 95602202 DZASJDIUFSZEFC-UHFFFAOYSA-N 381.505 3.003 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 587438419 PAJUJFYGPZWROO-JTSKRJEESA-N 379.412 3.224 0 1 GGAF Brc1c[nH]c2nc([C@H]3CS[C@H](Cc4ccccc4)N3)nc-2n1 587043050 XKFSDSRRKYIUQR-ZYHUDNBSSA-N 376.283 3.013 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(c1cnc(N4CCCCC4)nc1C)[C@@H](C2)C3=O 587440623 BMKMOZAXYOYNNO-KSFYIVLOSA-N 379.460 3.447 0 1 GGAF CC(=O)c1ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587204375 XIYVMRUGMAJOPT-QGZVFWFLSA-N 381.388 3.208 0 1 GGAF COC(=O)C[C@@]1(c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587778220 LQNWFGHYUSLLCW-ZMZPIMSZSA-N 393.256 3.324 0 1 GGAF CCOC(=O)c1ccc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1 587193511 CGNVKZWQQPZWHK-HNNXBMFYSA-N 390.484 3.257 0 1 GGAF Cc1nccc2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12 587170894 URBVBJZWBONILP-IBGZPJMESA-N 396.447 3.473 0 1 GGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc(Br)c2[nH]1 587230124 FLPYDIDKYAXSRB-RYUDHWBXSA-N 380.286 3.362 0 1 GGAF O=C(O)CCc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)c(Cl)c1 587368394 JJKAWBYQIGSCMH-UHFFFAOYSA-N 380.187 3.427 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(CCOCc3ccccc3)[nH]c2c1 587566553 SNRIRZOCOMMMJJ-UHFFFAOYSA-N 387.505 3.353 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(F)ccc(Br)c21 587387760 WLKGAEUZVPXKRD-QGZVFWFLSA-N 391.196 3.292 0 1 GGAF COC(=O)c1cnc([C@]2(C)c3c(ccc(OC)c3OC)C[C@H](C)N2C)s1 962574148 SWXRYKBEHDBQEI-WLRWDXFRSA-N 376.478 3.087 0 1 GGAF CCn1cc([C@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c(C)n1 962923802 GGUPPQRUBDMEKP-SFTDATJTSA-N 393.443 3.398 0 1 GGAF CCOC(=O)CCn1cccc1[C@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C 962619804 GNGWSDQNCKENAA-BTYIYWSLSA-N 386.492 3.424 0 1 GGAF CNC(=O)[C@H](CC(C)C)NC(=O)c1cccc(-c2ccc(F)c(Cl)c2)n1 150214465 UCUFKAFMMRYRNU-KRWDZBQOSA-N 377.847 3.432 0 1 GGAF CCCCCCNC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(C(C)=O)c1 169317355 FPIMQOVENPVZLN-SFHVURJKSA-N 393.528 3.329 0 1 GGAF CO[C@@H]1O[C@@](C)(c2ccc(-c3ccccc3)cc2)C(=O)C[C@@H]1N1CCN(C)CC1 169339134 KZFJNAHBFGDYJK-QTJGBDASSA-N 394.515 3.147 0 1 GGAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1Br 203340273 CTMWIBUOHMVJJZ-ZDUSSCGKSA-N 393.237 3.107 0 1 GGAF O=C1[C@@H](F)CCCN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857644608 HGOQBSRIJKOSDE-PBHICJAKSA-N 376.378 3.394 0 1 GGAF O=C(O)CCCCNS(=O)(=O)c1ccc(Br)c2ccccc12 1857773036 OGTDHOOIGRXVIY-UHFFFAOYSA-N 386.267 3.136 0 1 GGAF COc1ccc(CN[C@@H]2C[C@@H](c3nc(-c4ccc(OC)cc4)no3)N(C)C2)cc1 2356300729 NMAAXQKYSJPTQE-XLIONFOSSA-N 394.475 3.289 0 1 GGAF O=C(O)C[C@H]1CCN(Cc2cccc(F)c2)C[C@@H]1Cc1nc2cnccc2[nH]1 2356302610 CZUMRUCBZKJUHI-CVEARBPZSA-N 382.439 3.253 0 1 GGAF CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O 3939646 OPOKLUOSXLQAIT-OAHLLOKOSA-N 383.500 3.376 0 1 GGAF Cc1ccc(CNC(=O)C[C@@H](C)CC2=NS(=O)(=O)c3ccccc3N2)cc1 4148379 GMCDGNJHPHYPLS-HNNXBMFYSA-N 385.489 3.240 0 1 GGAF Cc1cc(C)c2cc(CN(CCO)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 8617367 BFNXMPUQJLRZSZ-UHFFFAOYSA-N 383.423 3.310 0 3 GGAF CNC(=O)Nc1c(O[C@@H](C)CN2CCCCC2)c(OC)c2occc2c1OC 29404331 YMCSRIIJHRAJBN-ZDUSSCGKSA-N 391.468 3.455 0 1 GGAF COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1nc(C)c(C)nc1C 103229258 JTLWBBCUDCJUMW-IUXPMGMMSA-N 385.445 3.313 0 1 GGAF COc1ccc(OC)c(-c2cc(-c3ccncc3)nc(N3CCOCC3)n2)c1 28123401 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2356744996 VLTQESMNWOGQSI-CEWLAPEOSA-N 393.535 3.104 0 1 GGAF O=C(c1cccc(O)c1)n1c(-c2ccc(S(=O)(=O)O)cc2)nc2ccccc21 66251424 MEIOLQXBSUOMOD-UHFFFAOYSA-N 394.408 3.344 0 1 GGAF Cc1cc(C)c2c(=O)n3c(nc2c1)[C@H](Cc1ccccc1)NC(=O)c1cccnc1-3 61921446 FTYMLBZNVAHLSV-IBGZPJMESA-N 396.450 3.425 0 3 GGAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCC(C(=O)O)CC4)ncn3)c2c1 221317519 XTFFAJKFKORVMZ-UHFFFAOYSA-N 381.436 3.108 0 1 GGAF O[C@H](CSc1nnnn1-c1ccccc1)Cn1c2c(c3ccccc31)CCC2 84709702 DMKCFWWFPNGPKX-INIZCTEOSA-N 391.500 3.259 0 1 GGAF CCNC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 96922828 OXFJDFYUGFKCPJ-UHFFFAOYSA-N 378.457 3.095 0 1 GGAF CC(=O)N[C@H]1CCc2ccc(Oc3cnc4[nH]cc(C(=O)NC(C)C)c4n3)cc21 96269458 WISJHPKKVVBBCE-KRWDZBQOSA-N 393.447 3.012 0 1 GGAF Cc1cnc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)o1 149244301 RCNPMPFRYJOVFT-UHFFFAOYSA-N 399.454 3.410 0 1 GGAF CC(=O)O[C@@H]1CC=C2C(=O)OC[C@]23C[C@H](O)[C@H](C)[C@](C)(CCc2ccoc2)[C@@H]13 523041580 LDHZCXPOCUYEEH-RDKHOQQUSA-N 388.460 3.040 0 1 GGAF biogenic 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HBXZKWYTTZBZPG-UHFFFAOYSA-N 394.475 3.127 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cncc2c1NCCO2 587597138 SLFFAEPNBXAZLP-UWJYYQICSA-N 376.368 3.294 0 1 GGAF Nc1cccc(-c2nc([C@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)co2)c1 963230201 LWMOLPSKWOZANA-QUCCMNQESA-N 386.411 3.160 0 1 GGAF COc1c([C@@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c(O)nc2ccccc12 963035691 SRQKUNYYDDXEGR-ZLOXQWCVSA-N 389.455 3.266 0 1 GGAF COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)c(Cl)c1O 1857567911 IVLKANBOAAXBPR-DAXSKMNVSA-N 378.631 3.483 0 1 GGAF COc1ccc(C2=NO[C@H](COc3ccc4ccc(=O)oc4c3)C2)c(OC)c1 1772573484 NKXIWRTVOUYGBK-INIZCTEOSA-N 381.384 3.382 0 1 GGAF CC(C)C(CC(=O)OC[C@]1(CO)C/C(=C\c2ccccc2O)C(=O)O1)C(C)C 13704237 JMFMLMIFLPJDAR-CQTHNFAISA-N 390.476 3.315 0 1 GGAF O=c1c2ccccc2nc(SCCN2CCOCC2)n1CCc1ccccc1 19371414 GPXKOGATHSKDNA-UHFFFAOYSA-N 395.528 3.064 0 3 GGAF Cn1ncc(-c2ncn3ncnc(N4CCC4)c23)c1-c1ccc(C(F)(F)F)cc1 169697318 YEMDLCMPPCAZFA-UHFFFAOYSA-N 399.380 3.421 0 1 GGAF CS(=O)(=O)c1ccc2c(c1)-c1cc(Cl)c3cccnc3c1NS2(=O)=O 201622296 ZCCNBQAQDOCKKT-UHFFFAOYSA-N 394.861 3.073 0 1 GGAF NC(=O)c1cc(F)c(F)cc1-n1cc(COc2ccc(C(F)(F)F)cc2)nn1 1857558660 UXHFFWFOUMWMMJ-UHFFFAOYSA-N 398.291 3.242 0 1 GGAF COc1ccc2c(c1)c(CO)c1n2CCN2C(=O)c3cc(C)ccc3N(C)[C@H]12 222001664 BBGLFXVJTSYIBY-NRFANRHFSA-N 377.444 3.055 0 1 GGAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4049352 BGAFBUDOOJUNFM-YJLNNSPDSA-N 390.842 3.458 0 1 GGAF O=C(CN1C(=O)C[C@H](c2ccco2)Sc2ccccc21)NC[C@H]1CCCO1 4142099 NZBYNRJQUILALZ-RDTXWAMCSA-N 386.473 3.145 0 3 GGAF CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccsc1 101129202 NFCNTLMYLMTDEB-CYBMUJFWSA-N 399.472 3.058 0 1 GGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](Cc4ccccc4)C[C@H]4[C@H](C2)N(C)CC[C@@]314 29231885 JKQIXBQTODIBRA-SUSMOJJHSA-N 389.495 3.402 0 1 GGAF COc1ccc([C@]2(O)c3c(ccc4c3OC(C)(C)C=C4)NC(=O)[C@@H]2OC)cc1 2356848883 PJPKEOASXRGMDD-UGKGYDQZSA-N 381.428 3.082 0 1 GGAF COc1cc(-c2oc3c(OC)c(OC)cc(OC)c3c(=O)c2OC)ccc1O 14437084 ZGYOCFOIBXQMMV-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic C[C@@H]1C(=O)c2[nH]ncc2[C@@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 49035787 OFWZIXOHGWMONG-RFAUZJTJSA-N 399.394 3.155 0 1 GGAF COC1CCC2(CC1)Cc1ccc(Cl)cc1[C@]21N=C(N)N(CC(F)F)C1=O 139433756 VWSDIIXNMAXQPM-ARHKQHADSA-N 397.853 3.089 0 1 GGAF COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)c(F)c1F 84538151 CKQIZMNFKSMJHK-UHFFFAOYSA-N 377.347 3.247 0 1 GGAF CCCNC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(C)=O 95895584 ICLDRKSGEYCSHN-FDFHNCONSA-N 399.535 3.028 0 1 GGAF CNC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 96286044 LYYLWOIDTXRRLW-HNNXBMFYSA-N 379.459 3.086 0 1 GGAF C/C=C(/C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(C)=O 95618070 FFCDTHIJWHJUQJ-CIRUDOSSSA-N 386.400 3.446 0 1 GGAF endogenous,in-man COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4cccn4)c1)[C@@H](C2)C3=O 587432167 OLTFQXQFGNGNSI-HTAPYJJXSA-N 376.412 3.437 0 1 GGAF CCOC(=O)CNc1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 587227803 YHBJXIQIHZYQRZ-UHFFFAOYSA-N 375.226 3.362 0 1 GGAF O=C(Nc1nc(Cc2nc3cccc(C(=O)O)c3[nH]2)cs1)c1cccc(O)c1 587019318 KCGHKNZRDYLBSN-UHFFFAOYSA-N 394.412 3.266 0 1 GGAF CCc1ccc([C@]2(C(O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587827058 NBJCYISSKHNQBP-WLRWDXFRSA-N 394.284 3.239 0 1 GGAF CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1Br 586979383 LQDVFFISIXTQKN-UHFFFAOYSA-N 387.140 3.436 0 1 GGAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccnc1C(=O)O)[C@@H](C2)C3=O 587435781 KHBAWDZMQASJKQ-SBUREZEXSA-N 387.391 3.480 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cn2)OCCO3)N1 587779607 USFOCKCZQDWTJY-HUTHGQBESA-N 379.229 3.378 0 1 GGAF COC(=O)c1cccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587118157 JZNJQUOJYLGUDU-UHFFFAOYSA-N 391.309 3.268 0 1 GGAF COc1cncc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 586940015 YVFCBBXEZFSMRT-OAHLLOKOSA-N 394.884 3.296 0 1 GGAF CCCN(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1 209691862 SHXHJOFONTYLEF-UHFFFAOYSA-N 384.311 3.123 0 1 GGAF CCn1nc(CC[C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c2ccccc21 963505371 ADEZSPIXLFWJCU-MSOLQXFVSA-N 379.460 3.343 0 1 GGAF Cc1ccc2c(n1)N(C)C=C(C(=O)O)[C@@]21c2ccc(F)cc2C[C@H]2CCCN21 963106253 RGYBSVQYESFZMV-OPAMFIHVSA-N 379.435 3.212 0 1 GGAF Cc1cccc2nc(CNC(=O)CN3Cc4cc(Cl)ccc4O[C@@H](C)C3)cn12 11968842 OIQDRGPKRHQJQI-HNNXBMFYSA-N 398.894 3.195 0 1 GGAF CC(C)c1ccc(NC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)cc1 15962728 AOOGXSWSKGCASH-UHFFFAOYSA-N 391.471 3.270 0 3 GGAF COc1ccc2c3c1O[C@H]1C(=O)C[C@H](c4ccccc4)[C@@H]4[C@@H](C2)N(C)CC[C@]341 169369218 QXZJMGDZMLKVKQ-ABQODORSSA-N 375.468 3.327 0 1 GGAF CNC(=O)c1cccc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)n1 204779426 CBZZSUSDNUHUEI-UHFFFAOYSA-N 376.420 3.460 0 1 GGAF CC(=O)OC[C@]1(O)OC[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@@H]13 1857536561 NMXQNNZLXKLLEI-QSEOKABFSA-N 390.520 3.188 0 1 GGAF CC(C)(C)CCCNC(=O)[C@@H](CCC(=O)O)NC(=O)c1cccc(Cl)c1 1544884 XMKYCCAWRIZFDM-OAHLLOKOSA-N 382.888 3.246 0 1 GGAF Cn1cc(S(=O)(=O)CC(=O)Nc2nc3ccccc3s2)c2ccccc21 4059895 APNLLWJESWPGJE-UHFFFAOYSA-N 385.470 3.200 0 1 GGAF CC[C@H](C(=O)NC[C@H]1CCCO1)n1nc(C)c2sc3ccccc3c2c1=O 6799306 JFFQPYAEEVGZGD-UKRRQHHQSA-N 385.489 3.166 0 3 GGAF Cc1cc(C)cc(SCc2noc(C(=O)NC[C@H]3CCCO3)c2C(=O)O)c1 8691341 NLXRLTYPYZVDBZ-CYBMUJFWSA-N 390.461 3.191 0 3 GGAF CN(C)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3F)nc2c1 28963826 WCBRDLGHQPXONG-UHFFFAOYSA-N 380.402 3.380 0 1 GGAF COc1ccc(F)cc1-c1cc(NC(=O)COc2ccc(Cl)cn2)ncn1 117298901 UKJSYOSGVXOBCN-UHFFFAOYSA-N 388.786 3.357 0 1 GGAF O[C@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)N(Cc2ccccn2)C1 2356856188 RYJKEYCHBAKWLB-RDJZCZTQSA-N 388.830 3.156 0 1 GGAF Cc1ccc(CNC(=O)C[C@H]2CCCCN2c2ccnc(-n3ccnc3)n2)cc1 35271588 RBGAQAAKQMYHIU-LJQANCHMSA-N 390.491 3.036 0 1 GGAF COc1cc(OC)c2ccc(=O)oc2c1C[C@H](OC(=O)CC(C)C)C(C)(C)O 14594020 RMQZBJJKSNDYKQ-KRWDZBQOSA-N 392.448 3.082 0 1 GGAF biogenic CN1C[C@H](c2cncn2C)[C@@H]([C@@H](OC(=O)c2ccccc2)c2ccccc2)C1=O 14559300 IBZKJMVCDSSXRB-GIVPXCGWSA-N 389.455 3.190 0 1 GGAF biogenic CCNCC(=O)Nc1c(Cc2nccc3ccccc23)ccc(OC)c1OC 39215530 XEJDIMSSPIPDPJ-UHFFFAOYSA-N 379.460 3.391 0 1 GGAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccc(F)cc1)[C@H](N)CC2 142790038 BZRWQTBKAWCEII-NHCUHLMSSA-N 390.524 3.255 0 1 GGAF Nc1cnccc1NC(=O)c1ccc(CNC(=O)c2cc3ccccc3[nH]2)cc1 148693725 RWIJRADKLYXBIL-UHFFFAOYSA-N 385.427 3.327 0 1 GGAF CCOC1CN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 144709933 JNESOEZGGGCZCU-IBGZPJMESA-N 377.362 3.326 0 1 GGAF COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(/C=C\I)cc1)N2 253638142 GZWPHROGQGOESZ-ZACVYEMVSA-N 397.256 3.489 0 1 GGAF CCOC(=O)CCc1nc2nc(N3CCC[C@@H]4CCCC[C@H]43)ccc2nc1O 299883920 SFBIYFXNTMTPKB-WMLDXEAASA-N 384.480 3.385 0 1 GGAF CS(=O)(=O)/C=C\c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586926947 QTABEDDANFCEIV-IHWYPQMZSA-N 385.161 3.239 0 1 GGAF COC(=O)c1csc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587613425 OUOKOFKCLMWSBI-PBHICJAKSA-N 383.381 3.338 0 1 GGAF CN(C)C(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 587586840 DTNHROCQHWSCJF-YLJYHZDGSA-N 378.384 3.125 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccccc1)CC2=O 587480748 PERLDCFGESYGKR-QFIPXVFZSA-N 382.412 3.338 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(C=NN(CCC(=O)O)c3ccccc31)CC2=O 587482577 CGICAZKUEXMBOI-QFIPXVFZSA-N 394.427 3.486 0 1 GGAF CCOC(=O)c1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 587163838 LWPJHIYEDLBWDF-UHFFFAOYSA-N 394.406 3.157 0 1 GGAF O=C1c2ccoc2CC[C@@H]1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586907090 KDCCSGKJLNQALV-CYBMUJFWSA-N 389.415 3.203 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3c(c2)OCCO3)N1 587779748 VPRPKEMETAKINQ-FVMDXXJSSA-N 379.229 3.378 0 1 GGAF CCn1cccc1[C@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963153613 WPTBXLCIISXZDK-KBPBESRZSA-N 377.466 3.300 0 1 GGAF Cc1cc(C(=O)NC[C@@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)no1 12457595 ZIVDVVDGKWZMML-ZDUSSCGKSA-N 391.855 3.007 0 1 GGAF Cc1ccc(C(N)=O)cc1Nc1nc(N)nc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)n1 13586063 PHIMSHRJTQBOPK-KKUMJFAQSA-N 395.511 3.089 0 1 GGAF Cn1cc(C(=O)c2cncc(NC(=O)C3(c4ccccc4)CC3)c2)c2cncnc21 169707881 WDPUKEGOAFSKLV-UHFFFAOYSA-N 397.438 3.265 0 1 GGAF COc1cccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCOCC2)c1 201537218 ACXLTCCAMZWKPL-UHFFFAOYSA-N 398.484 3.221 0 1 GGAF O=C(NCCO)c1cccc(-c2cn3c(-c4ccc(Cl)cc4)cnc3cn2)c1 1857594809 LZFGHJCXSUBLSP-UHFFFAOYSA-N 392.846 3.439 0 1 GGAF Cc1ccc2cc([C@H]3CC(c4cccs4)=NN3C(N)=S)c3nnnn3c2c1 1857594797 KMORUKLIQGMHBI-OAHLLOKOSA-N 393.501 3.042 0 1 GGAF NCCCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 1857599241 KZMXANNHHWLLCK-GFCCVEGCSA-N 381.320 3.244 0 1 GGAF O=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cccnc1 1539373 XSEKCANDBURYRF-UHFFFAOYSA-N 395.532 3.024 0 1 GGAF Cc1ccc(NC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)cc1Cl 3041984 LTGJECQYHQLLOK-UHFFFAOYSA-N 386.835 3.223 0 1 GGAF COc1ccc(CCN2C=CC=C3C2=Nc2ccccc2OS3(=O)=O)cc1 3962945 WLDQWVLOKIBGED-UHFFFAOYSA-N 382.441 3.403 0 1 GGAF CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1cc(Br)ccc1O 4563650 BQQVIKRYUSRIHZ-CABCVRRESA-N 376.206 3.150 0 1 GGAF COc1ccc2c(c1)C(=C1CCN(CCC(=O)O)CC1)c1ncccc1CO2 27556959 AQDGKGDDBBBLHM-UHFFFAOYSA-N 380.444 3.355 0 1 GGAF NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1c[nH]c2ccccc12 28825934 HEJCBRXAJKBBLU-OAQYLSRUSA-N 378.520 3.196 0 1 GGAF O=S(=O)(c1cccc(Cl)c1)c1cn([C@H]2CCCNC2)c2ncccc12 28862299 ASKBSODPKRADGV-AWEZNQCLSA-N 375.881 3.447 0 1 GGAF CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(-c3ccc(F)cc3)n2n1 27440356 NTYVRHVJNZEXFO-GHRIWEEISA-N 387.418 3.295 0 1 GGAF COc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCc3ccccc3)C2)cc1OC 35312903 DKQDNYWDNDVWQX-KRWDZBQOSA-N 397.475 3.264 0 1 GGAF O=S(=O)(NCCCN1CC[C@@H]2CCCC[C@@H]2C1)c1ccc2ncccc2c1 73169104 UFCRUQMUSOIQNF-PKOBYXMFSA-N 387.549 3.415 0 1 GGAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1 82214910 OVGKPKKNDKYSPZ-DNVCBOLYSA-N 398.482 3.428 0 1 GGAF CC1=CC=C[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H](C(=O)c3cccs3)N12 195502784 SFCREXJHGOKVDR-DSLXNQLJSA-N 390.464 3.263 0 1 GGAF CCOC(=O)N1CCC(CN2CCC[C@@H](N3C(=O)Cc4ccccc43)CC2)CC1 95586963 SKBHHBPGCAHMHQ-HXUWFJFHSA-N 399.535 3.299 0 1 GGAF CC[C@H](C)[C@H]1CN(CCCC[C@H]2CNC(=N)N2CC2CCCCC2)C(=N)N1 299864466 RIMRTOAWEWEDHS-YTQUADARSA-N 376.593 3.200 0 1 GGAF O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3F)O2)n1 653887031 GUDSKGQUWNRSQW-RSBSDTRBSA-N 393.436 3.277 0 1 GGAF CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4cccc5c4c(c3[C@H]2[C@@H]1C(=O)O)CC5 587213172 UDUXBCLDGLNSEM-OYYNGEPBSA-N 380.444 3.293 0 1 GGAF COC(=O)C[C@@]1(c2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619734 YYTNSVWQFVNCPW-NQIIRXRSSA-N 380.352 3.405 0 1 GGAF CS(=O)(=O)[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587606884 IZNGZJMINLKJLL-VOWSPCBNSA-N 388.441 3.080 0 1 GGAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(C)cc(C)c3[nH]2)c1 587230989 KYLBYPUSVNYEBF-UHFFFAOYSA-N 394.475 3.127 0 1 GGAF COCCCn1nccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587761132 SKBIVXQTGFHUPL-DIFFPNOSSA-N 382.277 3.445 0 1 GGAF CC[C@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587154621 GBGGMSZCZHGRQR-INIZCTEOSA-N 377.441 3.482 0 1 GGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cncc(Cl)c2[nH]1 586935847 JDYSUSSFSCWCMM-ZDUSSCGKSA-N 396.925 3.384 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3c(c2)OCCO3)N1 587779749 VPRPKEMETAKINQ-JDNHERCYSA-N 379.229 3.378 0 1 GGAF Cc1cc(Br)c2[nH]c(-c3cc(CNS(C)(=O)=O)oc3C)nc2c1 586944930 RXJDFDRCJNJRDR-UHFFFAOYSA-N 398.282 3.251 0 1 GGAF C=CN1CC[C@H]([C@]2(c3cnccn3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587513380 JKDNRNWDJHNZFX-MBSDFSHPSA-N 389.455 3.208 0 1 GGAF COc1cccc2c1NC(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587788982 BAIRYKJJBQCLTE-DYBLOJMWSA-N 391.240 3.327 0 1 GGAF CCOC(=O)c1cnn(-c2ncnc3cc(-c4ccc(F)cc4)sc23)c1N 957656327 HBLQXGPIWRAGNW-UHFFFAOYSA-N 383.408 3.442 0 1 GGAF CC(C)NC[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963224449 CIWRBPGQFSPTIV-JTHBVZDNSA-N 375.472 3.075 0 1 GGAF Cc1nc(NC(=O)c2cnc3cccnc3c2)ccc1I 1772590640 QLAZOAIYIFHPQU-UHFFFAOYSA-N 390.184 3.190 0 1 GGAF O=C(Nc1ccnn1C1CCN(Cc2cc3ccccc3[nH]2)CC1)[C@H]1CCOC1 12203203 NBQFIHPYFFMOEU-KRWDZBQOSA-N 393.491 3.177 0 3 GGAF Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1-c1ccccc1 13675142 LHMYCKKRCBXCBI-UHFFFAOYSA-N 383.415 3.166 0 1 GGAF CN(C)C(=O)[C@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccccc1 207735968 IDETYHWNJKLEFE-HXUWFJFHSA-N 393.487 3.307 0 1 GGAF CN(C)C(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1 59114791 VEGKMRUZYWQMBZ-UHFFFAOYSA-N 391.515 3.150 0 1 GGAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2CC1CC1 100086117 NGEZBHWQECRSBX-PIIMJCKOSA-N 392.341 3.429 0 1 GGAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ncccc4-c4ccccc4)C[C@H]3C2)n1 116826650 DBSXIIPDJNLICY-PMACEKPBSA-N 399.498 3.364 0 1 GGAF Cc1ccc(C)c(-n2nc(C(=O)N[C@H](CC(=O)O)c3ccc(F)cc3)cc2O)c1 101564305 AAQDJLQMCSEXSD-MRXNPFEDSA-N 397.406 3.280 0 1 GGAF COc1cc(CCC(=O)CC(=O)[C@@H]2C=Cc3nc[cH-]c3[C@H]2C[C@H](C)O)ccc1O 103531667 UPAUXQRZVAYVBV-GDIGMMSISA-N 396.463 3.173 0 1 GGAF biogenic,in-vitro CN(C)CCN1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O 26647382 IUKKWTUPPCOCPZ-UHFFFAOYSA-N 398.466 3.490 0 1 GGAF Cc1noc(C)c1S(=O)(=O)Nc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1 28521790 NWNWNIHKEGIODQ-INIZCTEOSA-N 388.493 3.210 0 1 GGAF COc1ccc(C=CC[C@@H](CO)[C@H](O)c2ccc(OC)c(OC)c2)cc1OC 2356544108 CTZAPYMTKXSGQH-HTAPYJJXSA-N 388.460 3.466 0 1 GGAF C[C@H](O)[C@H](C=CC=CC(=O)O)[C@H](C)C[C@@H](C)[C@@H](O)CC(=O)c1ccc(N)cc1 2356583129 KCSUEQGOSJTUAZ-WVPQZDDBSA-N 389.492 3.059 0 1 GGAF O=C(Cn1cc(COc2ccc(Br)cc2)nn1)c1ccc(O)cc1 61931037 LQGSVKPBILBGRF-UHFFFAOYSA-N 388.221 3.208 0 3 GGAF C[C@@]1(C(=O)NCc2ccccn2)CCN1C(=O)Cc1ccc(Cl)cc1Cl 61905779 XOYCPHFGHOLNLI-IBGZPJMESA-N 392.286 3.238 0 3 GGAF CCOC(=O)c1cnn(C[C@H](C)O)c1NC(=O)Nc1cccc2ccccc12 40402497 UBRCJVFJJKTMSI-ZDUSSCGKSA-N 382.420 3.238 0 1 GGAF CC/C(C)=C/C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@]3(OC)C[C@H]2[C@@H]1O 238771145 XRRGBBOAMABCAA-QEPVIWFUSA-N 392.492 3.288 0 1 GGAF Cc1cc(C)cc([C@H]2C[C@]34CN(C(=O)OC(C)(C)C)S(=O)(=O)[C@H]3C[C@H]2O4)c1 96021275 NHZITBCVDNHFSQ-WWNBULGVSA-N 393.505 3.268 0 3 GGAF CCN(CCO)C(=O)c1cc2cccnn2c1Cc1cccc(C(F)(F)F)c1 95557183 UVOYWFRWZSDKNQ-UHFFFAOYSA-N 391.393 3.398 0 1 GGAF NCCNC(=O)[C@H]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1 253686770 ZYWLNJLZRJUQBD-JOCQHMNTSA-N 380.414 3.444 0 1 GGAF CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccccn1 653776549 IXSHSVQBPONJGM-MRXNPFEDSA-N 395.484 3.017 0 1 GGAF COCCN[C@H]1CC[C@@H](Nc2ccnc(O)c2-c2nc3ccccc3[nH]2)CC1 653724781 SAPSNDTWQKTUDL-GASCZTMLSA-N 381.480 3.290 0 1 GGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 587229375 ANGMODPPNSOLMH-QWHCGFSZSA-N 393.871 3.039 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(OC)nc1)CC2=O 587485645 JHXCWUKCDVOROY-OAQYLSRUSA-N 385.416 3.172 0 1 GGAF COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2ccc(S(C)(=O)=O)cc12 587649672 AKFMCBDDRAHJPW-GFCCVEGCSA-N 396.509 3.346 0 1 GGAF COC(=O)c1csc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587850751 FJEOUMGSTCEENA-FUXBKTLASA-N 385.258 3.455 0 1 GGAF COc1c(F)ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1N 587133371 PGXPQJXMNKSJGJ-UHFFFAOYSA-N 380.383 3.019 0 1 GGAF O=C(CCc1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1cccc(F)c1 587163133 MWOYZHNBMXKDPG-UHFFFAOYSA-N 382.439 3.106 0 1 GGAF COc1nccc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c12 587114084 VBNVAZOGYCKBQJ-QGZVFWFLSA-N 378.354 3.385 0 1 GGAF Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CN[C@@H](C(=O)O)[C@@H]41)-c1ccccc1C2=O 587096386 JIYORLFRJOZVJA-LPCJOIQWSA-N 384.435 3.457 0 1 GGAF CN(C)CCOc1ccc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587173847 BFPRGYIBROQOFR-KRWDZBQOSA-N 381.455 3.366 0 1 GGAF COC(=O)[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)OC 587526058 RHVHNFGOBXLFPQ-ZDPZECHZSA-N 386.444 3.032 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ncccn3)CC2)N1 587767773 KSLSNOSASUTGMF-GFCCVEGCSA-N 391.288 3.408 0 1 GGAF CNC(=O)COc1ccc([C@H]2c3cccc(Br)c3CCN2C)cc1 963270731 QYERMVCGVCYDNZ-IBGZPJMESA-N 389.293 3.151 0 1 GGAF CN(CC[C@]1(C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21)C(=O)OC(C)(C)C 963226410 DUBNHUXZXQNUDK-GCJKJVERSA-N 399.491 3.306 0 1 GGAF O=C1c2ccccc2CN1CCCN1CCN(c2nsc3ccccc23)CC1 12356255 IXZQIGXIYXCIQZ-UHFFFAOYSA-N 392.528 3.464 0 1 GGAF O=C(NC1CC1)C1=C[C@@H](c2ccccc2)C[C@@H](OCc2ccc(CO)cc2)O1 13657275 QHNDUTZOPORLNS-KNQAVFIVSA-N 379.456 3.388 0 3 GGAF O=C(CCCCc1ccc2c(n1)NCCC2)NC[C@H](C(=O)O)c1cccc(F)c1 13860626 JAUBDECGBYELOG-IBGZPJMESA-N 399.466 3.276 0 1 GGAF COc1cc(NC2CCN(C(=O)c3cnn(C)c3Cl)CC2)c2ccccc2n1 169351291 XCKSXFBKJKRBIS-UHFFFAOYSA-N 399.882 3.347 0 1 GGAF Cc1cccc(N2CCN(CCCON3C(=O)CC4(CCCC4)CC3=O)CC2)c1 1542275 RPXBMXISYUBWDU-UHFFFAOYSA-N 399.535 3.148 0 1 GGAF Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)N1CCOCC1 4935448 OGOXTPGYXQXLID-UHFFFAOYSA-N 396.466 3.252 0 3 GGAF Cc1ccc(C(=O)Nc2ccn[nH]2)cc1NC(=O)c1cnc(NC(C)C)s1 29041414 QYSRTLVDKVDMSP-UHFFFAOYSA-N 384.465 3.500 0 1 GGAF CC1=C2C(=NC(=O)CS[C@H]2c2ccc3c(c2)OCO3)N(c2ccccc2)N1 104014560 UQTJDNXDYGKQKJ-IBGZPJMESA-N 379.441 3.427 0 3 GGAF CCO/C(O)=C(\C1=NCCN1)c1nn2cc(-c3ccc(Cl)cc3)nc2s1 101327209 ULWPEGXQAWJFHY-DTQAZKPQSA-N 389.868 3.376 0 1 GGAF O=C(O)C[C@H]1CCN(C(=O)C2CCCC2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 2356305852 MWPGFIMIUMNPQP-CABCVRRESA-N 387.455 3.374 0 1 GGAF COC(=O)CN1C(=O)C2(CCN([C@@H](C)c3ccccc3)CC2)c2ccccc21 28528481 HAQCWNMMTOKDIL-KRWDZBQOSA-N 378.472 3.301 0 1 GGAF COCC[C@@H](CC1(C(=O)N[C@@H]2C[C@H]2c2ccc(OC)cc2)CCCC1)C(=O)O 28641516 WAFMGROHMCCENJ-YTQUADARSA-N 389.492 3.355 0 1 GGAF CO[C@H]1CC(=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C[C@@H]1OC(C)=O 28567387 YGWPHAWAXUILGD-SEAGZFCKSA-N 378.465 3.291 0 1 GGAF C=CC(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)c(O)c1 28564553 YRDPSTPJPKCARP-UHFFFAOYSA-N 381.432 3.251 0 1 GGAF COc1ccc(-c2cc(-c3nc4cc(CN)ccc4[nH]3)c(=O)n(C)c2)cc1OC 45167221 GMCFVUXOANIEOL-UHFFFAOYSA-N 390.443 3.072 0 1 GGAF COc1ccc2c(c1)C[C@@H](c1nc3c(F)cc(-c4ccnc(N)n4)cc3[nH]1)CO2 40846345 LGNRWEUQQPIDQM-CYBMUJFWSA-N 391.406 3.469 0 1 GGAF Cc1ccccc1C1=NN=C2C(F)=Cc3c(n(C4CC4)cc(C(=O)O)c3=O)N2C1 1911571323 IOXUUKKTMSOCNZ-UHFFFAOYSA-N 392.390 3.137 0 1 GGAF O=C([C@H]1CCOC1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1 40895999 PMFUHYJZGKCNDL-QNWVGRARSA-N 380.532 3.223 0 1 GGAF COC[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@H]3O 95587484 GDGOVQAHSVMHTH-LYVCRCRNSA-N 392.536 3.375 0 1 GGAF COc1ccc(F)c(-c2ccc3c(c2)[C@]2(CC(C)(C)O3)N=C(N)N(C)C2=O)c1 95603579 CHEJNLZFCWFZMD-NRFANRHFSA-N 383.423 3.044 0 1 GGAF Cc1nc(C)c(C(=O)OCCO)c(-c2ccccc2C(F)(F)F)c1C(=O)O 238731491 UYIYDFVAGVXYKC-UHFFFAOYSA-N 383.322 3.232 0 1 GGAF C[C@@]1(/C=C/N2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342709 GTDCSHHQDPETDE-SUEBBETASA-N 383.419 3.495 0 1 GGAF Cc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(N(C)C)n1 587759024 ZTNFJAKHIQHGQN-JDNHERCYSA-N 379.277 3.376 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)CC(F)F)cc1)O2 587383839 WOKIDOWJZJRXOB-IBGZPJMESA-N 395.427 3.497 0 1 GGAF Fc1cnc2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 587186976 AAAUTSQJDWFSMJ-UHFFFAOYSA-N 379.136 3.016 0 1 GGAF CS(=O)(=O)c1ccc2[nH]c(C(=O)O)c(-c3cnn(-c4ccccc4)c3)c2c1 587650654 BARZQMMOSCXXRI-UHFFFAOYSA-N 381.413 3.122 0 1 GGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CC[C@H](C(=O)O)c3ccccc32)N1 963237766 UGFRDWTXTCRBFA-RWAHWCJQSA-N 388.423 3.039 0 1 GGAF CN1CCc2c(Br)cccc2[C@]1(C(=O)O)c1cnn(C(C)(C)C)c1 963278837 CMLQURQNZVXTGK-SFHVURJKSA-N 392.297 3.217 0 1 GGAF Cc1ccc(-n2cccc2[C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)nc1 963235905 WIEVULJHWWLYEC-KNQAVFIVSA-N 384.439 3.417 0 1 GGAF Cc1noc(C)c1-c1ccc2c(c1)[C@](NC[C@@H](C)O)(c1ccccc1)C(=O)N2 1772651857 PPMWZCIDGVNNEH-MCMMXHMISA-N 377.444 3.125 0 1 GGAF O=C(C[C@H](C(=O)Nc1ccccc1)N1CCOCC1)c1cccc2c1CCCC2 169340250 KHGZDSVIHSIFGL-JOCHJYFZSA-N 392.499 3.478 0 1 GGAF O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc(CCO)s1)N(c1ncccn1)C2 1857640648 TTZKMTAZDCCSHS-LJQANCHMSA-N 390.468 3.024 0 1 GGAF CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Br)o1)C[S@@](=O)C2 2724901 XEGYXMYYRHTJGZ-QFIPXVFZSA-N 386.271 3.008 0 3 GGAF Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2CSCCO)c1 27104949 BKWOXIWCPMXQPL-UHFFFAOYSA-N 380.535 3.111 0 1 GGAF CC(=O)OC[C@@H]1[C@H](C(=CCC=C(C)C)CO)CC[C@@]2(C)C[C@@]1(O)CC[C@H]2O 2356596607 LNKWGASOQMUALA-MNVIUDHYSA-N 380.525 3.133 0 1 GGAF O=C(NCCCCN1CCCN[C@@H](c2ccccc2)CC1=O)c1ccccc1 15147707 XMSVRBIVBUEBCF-OAQYLSRUSA-N 379.504 3.150 0 1 GGAF biogenic COC(=O)[C@@H]1CCN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1 139133494 ZSEKMSKLSQNRSU-OAHLLOKOSA-N 391.431 3.407 0 1 GGAF CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)NCc2ccco2)cs1 82070566 XTTKVGSSCFMEQR-ZDUSSCGKSA-N 399.472 3.237 0 1 GGAF CCCCCC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195371801 ZIKBTZZAYKAEPP-VRAFFPSXSA-N 397.515 3.309 0 1 GGAF O=C1OC2(CCC(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cccnc21 45349911 APBFRNCTSXYWFB-UHFFFAOYSA-N 388.427 3.462 0 1 GGAF Cc1ncsc1[C@@H](NC(=O)OCC1(CO[N+](=O)[O-])CC1)c1ccccc1 95552356 XVINMFRMVVHHCK-AWEZNQCLSA-N 377.422 3.256 0 1 GGAF O=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1cnn(-c2ccc(F)cc2)c1 149898557 FNDHCABVDRJYCJ-LJQANCHMSA-N 384.386 3.064 0 1 GGAF C[C@H](Nc1cc(C(=O)O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O 142422095 VJUBVEWWBBYLEZ-NSHDSACASA-N 396.378 3.059 0 1 GGAF Nc1ncc(-c2ccc(N3CCNCC3)cc2)cc1-c1ccc2c(c1)OCCO2 299838651 VSJMBQDPKOGFLY-UHFFFAOYSA-N 388.471 3.179 0 1 GGAF CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc(C3CC3)n2)c1O 299832680 KDPQMQOXXCNRGP-UHFFFAOYSA-N 383.857 3.344 0 1 GGAF O=C(NC(=O)c1c(O)cccc1O)N[C@H]1c2ccccc2-c2cc(F)ccc21 653787363 GEIIZBXDKABONS-IBGZPJMESA-N 378.359 3.446 0 1 GGAF COC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587396035 IUSVMRRZRABATA-JOCHJYFZSA-N 392.411 3.051 0 1 GGAF COC(=O)C(=O)C[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806479 JJGKPTCBKRVERY-BTDLBPIBSA-N 386.261 3.106 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(C)ccc(Br)c21 587373390 UUCHDUJBKIPZIH-GOSISDBHSA-N 387.233 3.461 0 1 GGAF CCOC(=O)CC[C@]1([C@@H](C)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587792297 BMEUHSQETYANJS-CZIZLABSSA-N 388.277 3.042 0 1 GGAF CC(C)(C)OC(=O)N[C@H](Cc1nc2c[nH]c(=N)[nH]c-2n1)c1cccc(Cl)c1 587072065 SVMOVIUSUVMICT-GFCCVEGCSA-N 388.859 3.179 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc3c(cc21)OCCCO3 587488067 XSULSHPRRMRFLZ-QFIPXVFZSA-N 395.411 3.319 0 1 GGAF COc1cc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2cc1F 587203141 ONKBRCOJXSKZJC-OAHLLOKOSA-N 387.367 3.153 0 1 GGAF COc1ncc(C)cc1[C@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962668814 OWIQZMDHIFJFBX-GCJKJVERSA-N 377.444 3.135 0 1 GGAF Cc1cc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c(C)n1C[C@@H]1CCCO1 962927211 DZTBOJCJAJRNDW-UGKGYDQZSA-N 381.520 3.221 0 1 GGAF CCc1cnccc1[C@]1(C)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962646101 WFHNWDDKJCBICF-KSSFIOAISA-N 380.366 3.405 0 1 GGAF CC[C@@H](C)[C@H]1COCCS(=O)(=O)N1Cc1ccc(Br)cc1 15937275 VFHMIHVAXPIEQX-IUODEOHRSA-N 376.316 3.026 0 3 GGAF CC[C@H]1Cc2cc(OCCCOC)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857654734 SVDSDRPLKVITHW-AWEZNQCLSA-N 387.432 3.145 0 1 GGAF Cn1cc(-c2ccc(N3CCC(N4CCc5c(F)cccc54)CC3)nn2)cn1 103242974 XJAVNZAJHVFDJV-UHFFFAOYSA-N 378.455 3.048 0 1 GGAF O=C(CCCCc1ccccc1)N[C@@H](COP(=O)(O)O)c1ccccc1 28004794 ORWPDPXHUKZSRT-SFHVURJKSA-N 377.377 3.366 0 1 GGAF COCCNC(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1F 105179919 XCRVEKZYTHOZJK-UHFFFAOYSA-N 380.423 3.271 0 1 GGAF C[C@H](NC(=O)C1CCOCC1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 2356299460 HOGABUKJKHQQPD-JTQLQIEISA-N 378.812 3.297 0 1 GGAF O=C(Nc1nc(C2(C(=O)O)CC2)cs1)c1cccc(COc2ccccc2)n1 28466105 NVNPWKUJOLOOSI-UHFFFAOYSA-N 395.440 3.486 0 1 GGAF CC(=O)O[C@@H]1C(COC(=O)c2ccccc2)=CC=C[C@@H]1OC(=O)c1ccccc1 14489392 ZBHLLVTXWGMEMT-LEWJYISDSA-N 392.407 3.497 0 1 GGAF biogenic C[C@H](O)CNC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 141402332 BEVIABRWXULHKA-LBPRGKRZSA-N 387.823 3.080 0 1 GGAF CC(C)(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3ccccc3)c2C2CC2)C1 199018889 AUXVVTAWRCDZEO-UHFFFAOYSA-N 380.492 3.455 0 1 GGAF CC(C)(O)CNc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 142343697 KNUSTXCZNIGYBZ-UHFFFAOYSA-N 396.422 3.357 0 1 GGAF CCn1cc(Cl)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)c(C)c3)cc21 145260033 YNCUMYDOPLRRHQ-FQEVSTJZSA-N 387.867 3.470 0 1 GGAF O=C(O)CCC/C=C\C[C@@H]1[C@H](/C=C/[C@H](O)C2CCCCC2)[C@H]2O[C@H]1[C@H]1O[C@@H]21 253694646 BLPTUHHFIMEDBU-NKHWLZMCSA-N 376.493 3.466 0 1 GGAF C[C@@]1(c2ccc(O)c(C(N)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576787 IEAIIBQYFYAHNX-GCJKJVERSA-N 391.379 3.074 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(N)=O)cc2)N1 587746905 IVCUUPCGOLIAAQ-XTZNXHDOSA-N 393.256 3.076 0 1 GGAF COc1ccc(S(=O)(=O)Cc2nc3ccc(Br)c(O)c3[nH]2)cc1 586920044 DWQLHVMSDITULJ-UHFFFAOYSA-N 397.250 3.014 0 1 GGAF O=C1Cc2nc3nc(O)nc(O)c3cc2[C@@H](c2ccccc2C(F)(F)F)C1 587368210 JVIQYPVOLSDFPG-SNVBAGLBSA-N 375.306 3.102 0 1 GGAF CN(C)S(=O)(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 587107031 HIHKFSOIGOCALV-UHFFFAOYSA-N 383.395 3.423 0 1 GGAF CC1=C(c2ccc3[nH]c(-c4oc5c(c4C)[C@H](O)CCC5)nc3c2)NNC(=O)C1 586904697 YMNVQQNASSJYEN-OAHLLOKOSA-N 378.432 3.257 0 1 GGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)cnc2[nH]1 587193754 GMLOIYJRTTYMKM-LLVKDONJSA-N 387.406 3.494 0 1 GGAF COc1ccc(-c2ccc(-c3nc4c(O)nc(S)nc4[nH]3)c(O)c2)cc1OC 587925679 CCIIZEUGFSSYPB-UHFFFAOYSA-N 396.428 3.404 0 1 GGAF CC(=O)c1cnn(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587764809 RGXIFCQBQMYIQR-XLFHBGCDSA-N 380.261 3.322 0 1 GGAF Nc1ccnc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc12 586961706 SNDAWQDHDVBZDK-COXVUDFISA-N 397.504 3.235 0 1 GGAF O=C(O)CC[C@@]1(CCC(=O)c2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962900252 PHFWWGVQOCYRGY-HTAPYJJXSA-N 399.418 3.148 0 1 GGAF COCC[C@@]1(Cc2cccc(F)c2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963232437 NPOLIHGJPGLEAI-GGAORHGYSA-N 394.446 3.447 0 1 GGAF CC[C@@H](NC(=O)Nc1cc2[nH]nc(OC)c2c(CO)n1)c1ccc(Cl)cc1 1772634096 ZASNVYOIWDNMJM-GFCCVEGCSA-N 389.843 3.385 0 1 GGAF CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)CCN2CCCC2=O)C1 11815218 UNQUOVIZUMBEJR-SFHVURJKSA-N 380.492 3.015 0 3 GGAF O=C(c1cccc(F)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1 13782328 GEZIRHHAXAYPOQ-UHFFFAOYSA-N 393.466 3.048 0 1 GGAF O=C(Nc1ccc(C(=O)N2C[C@H]3COC[C@@H]3C2)cc1)N1Cc2ccc(F)cc2C1 166340247 LFNQYOKAFZWIKN-ROUUACIJSA-N 395.434 3.092 0 1 GGAF COc1ccc(-n2cc(CN3CCc4c([nH]c5ccccc45)C3)nn2)cc1OC 1857546586 SHDVFZWDYUPULV-UHFFFAOYSA-N 389.459 3.324 0 1 GGAF CN(c1cccc(OCCNc2ccncc2)c1)S(=O)(=O)c1ccccc1 1545762 QNSIKAKIUZRPEO-UHFFFAOYSA-N 383.473 3.398 0 1 GGAF Cc1ccc(NC(=O)Cn2cnc(C(=O)Nc3ccc(C)c(C)c3)n2)cc1C 61945206 HQTXTTZAWVPSFF-UHFFFAOYSA-N 377.448 3.403 0 3 GGAF CC(C)S(=O)(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72103664 QMPYVFGEBXUMLO-IBGZPJMESA-N 393.940 3.180 0 1 GGAF CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2ccccc2)cc1 40950672 ORIFITDVRDUTPN-QFBILLFUSA-N 381.476 3.198 0 1 GGAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc(F)cc3)n2)C1 82139345 DGYJMFOQLIUOPU-HZPDHXFCSA-N 398.482 3.237 0 1 GGAF O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2Cl)C1 95555627 CJJBKJQFJWSFBM-ZDUSSCGKSA-N 379.865 3.492 0 1 GGAF CC1(c2cc(-c3cnc(NC(=O)N4CCC[C@]4(C)C(N)=O)s3)ccn2)CC1 230815936 SJNBGXFIKPBZKA-LJQANCHMSA-N 385.493 3.128 0 1 GGAF O=C(C1CCN(c2cc(-n3cccc3)ncn2)CC1)N1CCc2ccccc2C1 473170855 SBJYBAIMQAUWMZ-UHFFFAOYSA-N 387.487 3.069 0 1 GGAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)cc1 299875752 DKUQQVWAFYSFQU-QQVVJNKBSA-N 399.443 3.409 0 1 GGAF CCN(Cc1cc(=O)n2c(CCCO)c(C)sc2n1)c1ccc(F)cc1 653850993 OZBUYWSMWLUMTI-UHFFFAOYSA-N 375.469 3.155 0 1 GGAF O=C(c1ccc2c(c1)OCO2)c1c(CO)oc2cc(Br)cnc12 587275973 ICWOSDMACYMVOO-UHFFFAOYSA-N 376.162 3.042 0 1 GGAF CCOC(=O)[C@@H]1CC[C@]2(CO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587831328 IAUOMUQUZHBLOO-SIMVJXQJSA-N 386.261 3.060 0 1 GGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 586936904 BHIJFBCWZORTAL-SECBINFHSA-N 382.848 3.494 0 1 GGAF C[C@@](O)(c1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12)C(F)(F)F 587649809 LAHGMBOFENARRD-LLVKDONJSA-N 375.290 3.360 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C(=O)O)n2)N1 587772506 OCYAEDWNHSIXEV-HUTHGQBESA-N 379.229 3.479 0 1 GGAF CCCc1n[nH]cc1[C@@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963154304 WTOIRRPMMPNLSS-ZIAGYGMSSA-N 392.481 3.155 0 1 GGAF COC(=O)[C@@H](C)Oc1c(Cl)cc([C@@H]2NCCc3c(C)ccnc32)cc1OC 963070124 FDIVLBVDJSILTP-PXAZEXFGSA-N 390.867 3.227 0 1 GGAF CCOc1ccc([C@@]2(C)NCC3(CCOCC3)c3ccc(OC)c(OC)c32)cn1 963194045 SLJGOBGIWAOFOG-JOCHJYFZSA-N 398.503 3.412 0 1 GGAF COc1ccc(COC[C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962985094 AWAUAQGJRSWAPZ-CVEARBPZSA-N 397.805 3.484 0 1 GGAF CC(C)(C)c1cc(NC[C@@H]2[C@@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)no1 208091692 SZVUOZVUDJCILG-RHSMWYFYSA-N 377.510 3.471 0 1 GGAF Cn1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=N)[C@](C)(F)CC3(F)F)c2)n1 1772574217 RRZWWULQZFQDCP-IAGOWNOFSA-N 397.376 3.361 0 1 GGAF COc1ccccc1N1CCC(CNC[C@@H]2COc3cccc(O)c3O2)CC1 13799855 CHBUDRVHEPFQKH-QGZVFWFLSA-N 384.476 3.047 0 1 GGAF O=C1c2cccc3c(Br)ccc(c23)C(=O)N1[C@H]1CN2CCC1CC2 13899813 HUKIGIDJWKOGKB-INIZCTEOSA-N 385.261 3.293 0 1 GGAF Cc1ccccc1S(=O)(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1C 206042164 GNVWNZOZWAVGEC-OEMYIYORSA-N 390.549 3.233 0 3 GGAF COc1ccc(CN2CCN(c3ncc(C(=O)Nc4ccccc4)o3)C2=O)cc1 206055538 ZXIKVLQOZPCAKT-UHFFFAOYSA-N 392.415 3.378 0 3 GGAF Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2CF)n1 205296799 COIJRYMOQMVQIL-ZIAGYGMSSA-N 377.427 3.301 0 1 GGAF CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CCOCC1 767087 HLSQGGKXWHZGOO-PZJWPPBQSA-N 380.444 3.036 0 1 GGAF CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)O)c3ccccc3C(=O)N1CC2 2456092 ZHHWIEMJMXQFCH-UXHICEINSA-N 381.428 3.405 0 1 GGAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4295945 ZNFHIAXORATXBB-XVSDVWIESA-N 390.842 3.458 0 1 GGAF Cc1ccc(-c2csc(=N)n2CC(=O)N2CCN(c3ccccc3)CC2)cc1 101703861 QPNYSIWOKUFJDJ-UHFFFAOYSA-N 392.528 3.353 0 1 GGAF Cc1nc2c3c(c(C(=O)N4CCNCC4)cn2c1C)CC[C@@H](c1ccccc1)O3 28867255 HPTPVGQQPOAUMI-FQEVSTJZSA-N 390.487 3.063 0 1 GGAF Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@]1(C)C(=O)NCc1cccs1 61897162 VFOZBURCHZFTJG-QGZVFWFLSA-N 397.422 3.391 0 3 GGAF CCOC(=O)[C@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1 28571174 VLPUPQGQROBWIQ-KRWDZBQOSA-N 381.538 3.294 0 1 GGAF CC[C@@H]1CN(S(=O)(=O)c2ccccc2)CC[C@H]1CC(=O)Nc1nccs1 2356864417 VUMJAFYTKARSDT-CABCVRRESA-N 393.534 3.209 0 1 GGAF O=C1NC(=O)C(c2ccccc2)=C1Nc1ccc(C(=O)Nc2ccccc2)cc1 1911576706 DAYYQMPTARAOTO-UHFFFAOYSA-N 383.407 3.419 0 1 GGAF Nc1nn2cccnc2c1-c1cc(N2CCC[C@H]2c2ccc(F)cc2)ncn1 45318831 WNDJXHTVTVODGW-INIZCTEOSA-N 375.411 3.249 0 1 GGAF CC(=O)NCCn1c(-c2ccoc2)nc2c(NCc3ccccc3C)ncnc21 82180244 JLIRIJFYRQIUNZ-UHFFFAOYSA-N 390.447 3.143 0 1 GGAF CCCCNC(=O)[C@@H](C)NC(=O)c1csc(-c2ccccc2OCC)n1 82070742 JCHGKBSOEFMXMC-CYBMUJFWSA-N 375.494 3.243 0 1 GGAF Cc1ccc(NCC(=O)N2CCCN(Cc3nc4ccccc4[nH]3)CC2)c(C)c1 49088983 BHIKHWWPOQPAOM-UHFFFAOYSA-N 391.519 3.326 0 1 GGAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(CC2CCCC2)CC1 95665814 RMHFYAWCYAVNOG-HXUWFJFHSA-N 397.563 3.347 0 1 GGAF O=C(NC1CCCC1)[C@@H]1c2ccccc2OCC(=O)N1CCc1ccccc1 95602308 IYPAZXNNLMUXLT-QFIPXVFZSA-N 378.472 3.250 0 3 GGAF O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCCn1ccnc1 98083433 BOLQPYGCQPHKNZ-JQBYJRRVSA-N 383.451 3.165 0 1 GGAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(I)cnc2[nH]1 587089038 WHMXBYIMHQJFBN-MRVPVSSYSA-N 390.175 3.312 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCC(CO)CC4)cc1)[C@@H](C2)C3=O 587440462 ZVEBUATXRQTNMT-WMZHIEFXSA-N 379.456 3.393 0 1 GGAF CN1CCN(c2ccc3nc(Cn4cc(-c5ccc(F)cc5)cn4)[nH]c3c2)CC1 587164978 HDEKVWPUWYYQKU-UHFFFAOYSA-N 390.466 3.366 0 1 GGAF COC(=O)[C@@H]1CSCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587856596 IXUUNHSFCKNUBC-QEKSWQHZSA-N 388.302 3.244 0 1 GGAF COc1cc2c3c(c1)O[C@](CCN(C)C)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587430592 VYTNEVGEJRTEOX-GAJHUEQPSA-N 397.471 3.307 0 1 GGAF COc1cc(O)c(-c2nc3nc(O)nc(O)c3cc2Cc2ccccc2)c(O)c1 587558579 ASAWEMMTGMKANS-UHFFFAOYSA-N 391.383 3.114 0 1 GGAF CCOC(=O)C(C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OCC 587525006 ORRMFOWDAAVJPB-QFIPXVFZSA-N 388.460 3.422 0 1 GGAF CN1CCN(c2ccc3nc([C@@H](N)Cc4c[nH]c5ccc(F)cc45)[nH]c3c2)CC1 587174847 MVVQVJONUPGKAU-SFHVURJKSA-N 392.482 3.178 0 1 GGAF COc1ncccc1[C@@]1(c2cccs2)NCCc2ccc(C(=O)N(C)C)cc21 962921730 DKFPQYLDZSKNIR-JOCHJYFZSA-N 393.512 3.291 0 1 GGAF Cc1c(O)ccc2c1[C@@](c1ccccc1)([C@@H](N)c1ccccc1)N[C@H](C(=O)O)C2 963493056 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COc1ccc(CN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 763082 LNHYNCRHKSDNTC-LJQANCHMSA-N 382.460 3.445 0 1 GGAF COc1ccc(Oc2ncc3nc(-c4ccc(OC)cc4)c(=O)n(C)c3n2)cc1 4239113 WYQAGMVGCFMCMS-UHFFFAOYSA-N 390.399 3.200 0 1 GGAF C[C@@H](C(=O)O)n1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)nn1 103258452 RUPNSRQTLULNKV-NSHDSACASA-N 379.351 3.447 0 1 GGAF CCc1ccc([C@H]2C[C@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1I 100949944 BSMPOYNWUIFFDN-XOUADPBQSA-N 399.272 3.251 0 1 GGAF Cc1[nH]nc(-c2nc3ccc(C(C)C)cc3[nH]2)c1C(=O)NC1CCN(C)CC1 66166269 PFGGMNGDLVJXNC-UHFFFAOYSA-N 380.496 3.209 0 1 GGAF in-vitro COc1ccc(CN2C[C@@H]3CN(CCCc4ccccc4)CCN3C2=O)cc1 2356555485 XDYSJCKGEKVEBT-NRFANRHFSA-N 379.504 3.250 0 1 GGAF O=c1c(-c2cccc(F)c2)c(-c2ccccc2)cnn1CCN1CCOCC1 31571553 VWAAUHLNJPQXOB-UHFFFAOYSA-N 379.435 3.049 0 3 GGAF in-vitro COc1c(O)c2c(c(O)c1C(C)C)C(=O)C(=O)[C@H]1C(C)(C)CCC[C@@]21CO 14774145 JTJFUDHKPWGQGT-PZJWPPBQSA-N 376.449 3.052 0 1 GGAF biogenic CN(C(=O)[C@H]1Cc2ccccc21)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 71333210 DMJXZFVIVSQBHX-UZLBHIALSA-N 388.467 3.382 0 1 GGAF COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n3nccc3n2)cc1 40395590 URAYUZMNRJQUIC-UHFFFAOYSA-N 390.447 3.366 0 1 GGAF O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2CC1CCCCC1 95894368 FWJPVUNSECTBBX-RJGXRXQPSA-N 391.515 3.451 0 1 GGAF O=C(O)[C@@H]1CCN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 143488710 JKJOCKUIDIZEAJ-CWTRNNRKSA-N 391.345 3.012 0 1 GGAF Cc1ccc2nc(N3CC(c4nccnc4N4CCC(CO)CC4)C3)ccc2c1 140111981 HIFHONWJWHWVQO-UHFFFAOYSA-N 389.503 3.146 0 1 GGAF C[C@@]1(c2ccccc2)CC(=O)N(CN2CCN(c3ccccc3Cl)CC2)C1=O 96921993 BIKBMNJZDWQLPC-QFIPXVFZSA-N 397.906 3.136 0 1 GGAF C[C@@H]1COCn2nncc2CC[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N1 95662265 JXGXIRMIHZGELK-DYESRHJHSA-N 390.487 3.229 0 1 GGAF CC(=O)N[C@@H](Cc1nc2nc(Cl)c[nH]c-2n1)c1ccc(Br)cc1 586986704 ZUSAIUHXTHDJGT-NSHDSACASA-N 394.660 3.140 0 1 GGAF CCOc1ccc(C(=O)[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC 587443101 TXHXYSAYSKWIEU-IVZQSRNASA-N 382.412 3.492 0 1 GGAF COC(=O)C(=O)[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355502 YBGFVYSBRYDCRH-CECAUBDESA-N 398.386 3.171 0 1 GGAF COC(=O)C(=O)C[C@@]1(c2cc3ccccc3o2)CC(=O)c2cc(C)cc(N)c2O1 587415290 ZOYKAUDZOIEQLL-JOCHJYFZSA-N 393.395 3.316 0 1 GGAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc3c(cc2[nH]1)CCC(=O)N3 587039787 UYSGMSAGBPGIOC-UHFFFAOYSA-N 386.437 3.313 0 1 GGAF CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587151140 GTNHIZNVLOCOIH-NWDGAFQWSA-N 377.416 3.363 0 1 GGAF CC[C@@H](Oc1ccccc1F)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587156693 XXAMZBVSXRLYSF-CQSZACIVSA-N 377.441 3.482 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1ccccc1F)CC2=O 587465522 FLOGSXCHYGPCPU-FQEVSTJZSA-N 392.448 3.389 0 1 GGAF COc1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1OC 586929063 QMUQNZKAKOVPLL-UHFFFAOYSA-N 395.868 3.054 0 1 GGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccccn1)C1C[C@@H]2CC[C@H](C1)N2 963614670 YJWMJVQGFMKNHO-HTTGSBHCSA-N 393.531 3.407 0 1 GGAF Cc1cc2c(cc1O)[C@H](c1c(F)cc(Br)cc1F)N[C@H](C(=O)O)C2 963529779 XXUGRDHJHOMDTQ-XJKSGUPXSA-N 398.203 3.430 0 1 GGAF CN1C(=O)C[C@H]2CN[C@H](c3c(Br)ccnc3F)c3cccc1c32 963022666 HILOHSIUHCCWOE-FVMDXXJSSA-N 376.229 3.126 0 1 GGAF CCC(=O)N1CCOc2c(cc(-c3cc(OC)cc(OC)c3)cc2C(=O)OC)C1 1772621947 BBBBMLZXOIZWBJ-UHFFFAOYSA-N 399.443 3.288 0 1 GGAF COC(=O)C1=C(C)N2CCCO[C@]2(C)[C@H](C(=O)OC)[C@H]1c1cccc(Cl)c1 5757482 AEIJDYWCBYHIFL-ABSDTBQOSA-N 393.867 3.112 0 1 GGAF CC[C@]12CCN(C(=O)[C@H]3COc4ccccc4O3)[C@H](Cc3ccc(O)cc31)C2 201103054 MBPCLMQATZONBH-FQQGMQMYSA-N 379.456 3.427 0 1 GGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CCOCC2)c1 4051918 LKSLGYZBDUDYNL-CTNGQTDRSA-N 380.444 3.036 0 1 GGAF CCOC(=O)[C@H](C)Oc1cc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(F)cc1Cl 103207367 FZNRPVAJCDOIBM-SRVKXCTJSA-N 397.830 3.489 0 1 GGAF c1cnc(NC[C@H]2CCCO2)c(-c2nnc(Nc3ccc4c(c3)OCO4)o2)c1 28570851 QFGIYKJHRAVEQI-CYBMUJFWSA-N 381.392 3.195 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)c4cc(Cl)ccn4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632823 YVBFOMUWVVPKDA-WFASDCNBSA-N 387.892 3.409 0 1 GGAF O=C(OCCCc1cccnc1)[C@@H]1CCCN1C(=S)NC1CCCCC1 27559246 SZBXUAFITADSQQ-SFHVURJKSA-N 375.538 3.229 0 1 GGAF FC(F)(F)c1cccc(-c2csc(Cn3cc(-c4nn[nH]n4)cn3)n2)c1 115473591 WAVBKFUCUQIZPE-UHFFFAOYSA-N 377.355 3.254 0 1 GGAF CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(C)CC4)c3c2C)cc1 28569134 KXZVIBFGGRXNLV-UHFFFAOYSA-N 379.508 3.496 0 1 GGAF Cc1ccc2c(c1)-n1c(nc3ccccc3c1=O)[C@H](Cc1ccc(O)cc1)NC2=O 61949248 QMYOCBQALHPKOV-FQEVSTJZSA-N 397.434 3.427 0 3 GGAF NC1=N[C@@]2(CO1)c1cc(-c3cncc(OCC(F)F)c3)ccc1OCC21CC1 220713845 WQKBRYBBAYLSSQ-FQEVSTJZSA-N 387.386 3.105 0 1 GGAF Cc1[nH]c2ccc(OC3CCN(C(C)C)CC3)cc2c1C(=O)N1CCOCC1 40975348 QGXYCOWWFZBLQY-UHFFFAOYSA-N 385.508 3.200 0 1 GGAF CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 82065653 NUABOAXWAJDJQV-VXKWHMMOSA-N 393.531 3.222 0 1 GGAF CCOP(=O)(OCC)[C@@H]1C[C@@H](n2cc(-c3ccccc3F)nn2)ON1C 82150902 RMGJYBMGBKUCQI-JKSUJKDBSA-N 384.348 3.442 0 1 GGAF CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1 95566459 VRXLREJPRYVDDB-NRFANRHFSA-N 376.508 3.385 0 3 GGAF 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Cc1nc2cnccc2n1CC1CCN(C(=O)C[C@@](C)(O)c2ccccc2)CC1 13745839 NTAFSRCMWKOOOT-HSZRJFAPSA-N 392.503 3.276 0 1 GGAF COc1ccc(/C=C/C(=O)N(C)CCc2ccc(OC)c(OC)c2)cc1OC 15846419 DRJAASQJXDFHGW-DHZHZOJOSA-N 385.460 3.435 0 1 GGAF O=C(NCc1ccsc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167708196 TVKOLJKYVRNKJT-UHFFFAOYSA-N 379.485 3.231 0 1 GGAF O=C(O)c1cnc(-c2ccc(OCC3CCCCC3)c(-n3ccnn3)c2)nc1O 1857567776 QEHVKOMCWARRPR-UHFFFAOYSA-N 395.419 3.087 0 1 GGAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N(C)C 770053 PDUVFKWYGYVGRG-FPOVZHCZSA-N 381.476 3.331 0 1 GGAF CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1N1CCC2(CC1)OCCO2 6797416 CMRMTUYIXVMWLT-UHFFFAOYSA-N 390.505 3.122 0 1 GGAF C[C@@H]1CC=C(Nc2ccccc2Br)c2ncc(C(=O)O)c(=O)n21 100789401 FNBWSNRFOPCIHH-SECBINFHSA-N 376.210 3.122 0 1 GGAF COc1ccc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)cc1 28965718 PKJIMDZRAFWKBI-MDZDMXLPSA-N 378.446 3.307 0 1 GGAF CC(=CCc1cc(C(=O)O)ccc1O)CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1 2356576260 UEDBFLUWLOXTGA-JQVVWYNYSA-N 392.492 3.429 0 1 GGAF 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MIDBNMYTUQUADA-IBGZPJMESA-N 394.427 3.216 0 1 GGAF Cc1ncc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)s1 15071783 FTSGQMXKTYABGZ-UHFFFAOYSA-N 381.505 3.488 0 3 GGAF CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccccc3CN3CCOCC3)cc21 205935134 IRULQWBVWCFRSD-UHFFFAOYSA-N 388.471 3.397 0 1 GGAF CCCCc1cn(-c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)nn1 1857578651 BYEGGBUZWJDKDV-UHFFFAOYSA-N 386.477 3.419 0 1 GGAF COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 601196 VSQLZYPQFJIORU-UHFFFAOYSA-N 379.388 3.133 0 1 GGAF Cn1cccc1Cc1nnc(SCC(=O)N2CCCCC2)n1-c1ccccc1 9611058 FJVYGKYEOWRAIW-UHFFFAOYSA-N 395.532 3.301 0 1 GGAF Cc1cccc(N2C(=O)c3ccccc3[C@@]2(O)c2ccc3c(c2)NC(=O)CO3)c1 59203439 DZCBRTBEXDTPDC-QHCPKHFHSA-N 386.407 3.180 0 1 GGAF CC(C)Oc1nc(C2CC2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 103246870 XLONFDACTTUKCS-VGIQYWGPSA-N 376.522 3.477 0 1 GGAF CCc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1 22941424 YIILQFFSXRRLJQ-LJQANCHMSA-N 377.532 3.344 0 1 GGAF O=C(O)CCC/C=C\C[C@H]1C(=O)CC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 28230687 FPRHLTNKUIYPQE-VPGVIOTPSA-N 399.896 3.167 0 1 GGAF COc1ccc([C@@H]2CCN(C(=O)c3co[n+](C)c3C)C2)cc1OC1CCCC1 29314001 QOLQCWZNWFXPIM-QGZVFWFLSA-N 385.484 3.372 0 1 GGAF COc1cc([C@@H]2Oc3ccc4ccc(=O)oc4c3O[C@H]2OC)cc(OC)c1O 2356588724 DXBMMMITVSFLLA-AZUAARDMSA-N 386.356 3.001 0 1 GGAF O=C(c1ccc(F)cc1)N1C[C@@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356638546 ITHXGQVJRCBZSH-RHSMWYFYSA-N 375.350 3.220 0 1 GGAF CC1(C)OC(c2ccc(S(N)(=O)=O)c(Cl)c2)=C(c2cccc(F)c2)C1=O 34660901 JTRKQCZFGOFVKB-UHFFFAOYSA-N 395.839 3.373 0 1 GGAF Cc1ccc(CN2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@H]2CCO)o1 36385710 PNLUURDRUUZNQH-HXUWFJFHSA-N 380.492 3.047 0 3 GGAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1 82132541 HHTRJDWWRCFYSQ-VQIMIIECSA-N 380.492 3.289 0 1 GGAF CCCNC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)CC 95895417 YRDHNJKOBIPBLO-JAXLGGSGSA-N 399.535 3.028 0 1 GGAF C[C@H]1CN(C)C(=O)c2cccc(N(C)C)c2O[C@H]1CN(C)C(=O)OC(C)(C)C 95661616 NGQOZRJOWAPEHV-YOEHRIQHSA-N 391.512 3.089 0 1 GGAF CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(N)=O 473169789 NWZAGTAHLNMMLO-SJCJKPOMSA-N 380.897 3.185 0 1 GGAF Cc1c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cnn1C 587657006 PPNZWDCITVYYRF-UHFFFAOYSA-N 380.354 3.072 0 1 GGAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(N)=O)cc2[nH]1 587113002 NFHYFZOBVICXFG-GOSISDBHSA-N 390.365 3.080 0 1 GGAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(I)cnc2[nH]1 586909640 ZPZXYINIYVGVMG-MRVPVSSYSA-N 393.184 3.143 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H]2COC[C@H]1CN(Cc1ccccc1)C2 587400000 NBRYYBJRVRXSNX-CYGODWOOSA-N 378.472 3.060 0 1 GGAF CCn1cc(Br)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587416471 BZUSHSDFBQSWCG-PIGZYNQJSA-N 377.238 3.337 0 1 GGAF Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nn1C 587655887 CYQFEKJNZPRZFD-UHFFFAOYSA-N 380.354 3.072 0 1 GGAF CCOC(=O)NC(=O)C[C@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1 962722052 YCHHXHOPKHKOPR-ORAYPTAESA-N 380.485 3.067 0 1 GGAF c1ccc([C@@]2([C@@H]3CCNC3)c3ccsc3CCN2Cc2cccnc2)nc1 962996233 HRRSQMOQKLXDRT-XMSQKQJNSA-N 376.529 3.450 0 1 GGAF COc1cc2c(cc1OC)[C@@H](c1cccc(S(C)(=O)=O)c1)N(C)[C@H](C)C2 962629693 PRTCZHJZKXDGAW-ZUOKHONESA-N 375.490 3.073 0 1 GGAF CN1CCc2cn(C)nc2[C@H]1[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 963954519 LJFBJVKEJNYUSK-UYAOXDASSA-N 382.508 3.311 0 1 GGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2cccc(F)c2)(c2ncco2)N1 963226464 DVCCUIYNBYJVRM-SIKLNZKXSA-N 389.386 3.253 0 1 GGAF FC(F)(Br)CN[C@H]1CC[C@@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772616876 GWATZLTXUAFPCW-AOOOYVTPSA-N 399.243 3.209 0 1 GGAF COc1ccc(CN(C)C(=O)c2cccnc2NCc2ccncc2)cc1OC 1772580715 YPPQGNSYVHPPAI-UHFFFAOYSA-N 392.459 3.378 0 1 GGAF O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)N1Cc2ccccc2C1 167964994 CWNBZYNSDJDDNZ-UHFFFAOYSA-N 390.487 3.293 0 1 GGAF CO[C@H]1C[C@H]2C(=C[C@@H]1NCc1ccccc1)[C@H]1CN2Cc2cc3c(cc21)OCO3 1857646575 MCPPWMKGMZBBJB-CMOCDZPBSA-N 390.483 3.200 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCN(CC)CC 4152503 SQUASKQHWHZGIM-PZJWPPBQSA-N 399.491 3.228 0 1 GGAF COc1ccc2c(c1)[C@H]1NC(=S)N[C@](C)(O2)[C@@H]1C(=O)Nc1ccc(C)cc1C 104786040 SKGFNVJFCBPWOT-WAOWUJCRSA-N 397.500 3.194 0 1 GGAF COc1ccc(CCN2C=CC=C3C2=Nc2ccccc2N(C)S3(=O)=O)cc1 28638104 SZXNALYWCGACHM-UHFFFAOYSA-N 395.484 3.461 0 1 GGAF CC(C)CN(CC(C)C)C(=O)C1=NO[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C1 36184804 UNOCSFJUHMZNAU-LLVKDONJSA-N 392.340 3.128 0 1 GGAF N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccccc1)Cc1cccc(Cl)c1 43119990 ALAFJMHATDEUOL-UXHICEINSA-N 399.922 3.021 0 1 GGAF CCC[C@H]1C[C@@H](OCC)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40914943 VDLXNDODVYULCA-GOEBONIOSA-N 380.876 3.481 0 1 GGAF Cc1ccc(-c2nc(C(C)(C)C)cs2)cc1S(=O)(=O)N1CCOCC1 40898730 RVRHTFXOZMGCTE-UHFFFAOYSA-N 380.535 3.437 0 1 GGAF Cc1n[nH]c(C)c1-c1nc(N2CCCNCC2)c2c3c(sc2n1)CCCC3 223692851 OUGCUOHUQXKFNG-UHFFFAOYSA-N 382.537 3.377 0 1 GGAF COc1ccc(-c2cc3ncccc3c(O[C@@H](C)[C@H]3CNC(=O)C3)n2)cc1OC 141922644 RPYMEOCZLCXVGD-DZGCQCFKSA-N 393.443 3.217 0 1 GGAF CC[C@@H](NC(=O)c1cc(C(=O)N2CC[C@H](F)C2)n2c1COCC2)c1ccccc1 146141497 DLDBCCMFKBOVGZ-FUHWJXTLSA-N 399.466 3.083 0 1 GGAF CC1(C)CN=C(N2CCN(c3ncnc4sc(CCF)cc34)CC2)S1 263621101 UOPVCDBELHDBLY-UHFFFAOYSA-N 379.530 3.207 0 1 GGAF in-vitro COCC(C)(C)CN1C[C@H]2[C@H](CNC(=O)c3nc(C(C)C)n4ccccc34)[C@H]2C1 653780386 KYOTXTZWOUNYTR-NNZMDNLPSA-N 398.551 3.038 0 1 GGAF CCn1cc(Br)c(Cc2nc3cc(Br)cnc3[nH]2)n1 586999575 ABIBXAUKLBNNTQ-UHFFFAOYSA-N 385.063 3.290 0 1 GGAF Cc1nc(-c2c[nH]cc2-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cs1 587021436 NIZYXBNJVZDDPD-UHFFFAOYSA-N 387.490 3.240 0 1 GGAF CCC(=O)[C@@H]1C(=O)OC(C)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587829251 BMAWFDXRRJMIBL-DNPYPDJRSA-N 396.256 3.374 0 1 GGAF COC(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2ccc(S(C)(=O)=O)cc12 587648987 FUXHMEBFDNIHKW-UHFFFAOYSA-N 398.362 3.439 0 1 GGAF CCOC(=O)[C@]1(CC(=O)C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587799671 UDALPMKAIBPTID-MLCYQJTMSA-N 398.272 3.250 0 1 GGAF CC(=O)C[C@@]1(c2ccncc2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962713187 TXOPNMSSHVSQPR-WMZOPIPTSA-N 396.340 3.061 0 1 GGAF COc1cccc(CNC(=O)CN2CCC(c3nc4cc(C)ccc4[nH]3)CC2)c1 5626052 WMUTXWXLIXRHFR-UHFFFAOYSA-N 392.503 3.376 0 3 GGAF CC(=O)O[C@H]1[C@H](NC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C 5962515 JJNKLEBFZOYUFU-QUCCMNQESA-N 387.432 3.099 0 1 GGAF C[C@H](O)[C@H](/C=C/C=C/C(=O)O)[C@@H](C)C[C@@H](C)[C@@H](O)CC(=O)c1ccc(N)cc1 14420098 KCSUEQGOSJTUAZ-QQNBRMCASA-N 389.492 3.059 0 1 GGAF COc1ccccc1/C=C1\CNC[C@@H]2C1=NC(=O)N[C@@H]2c1ccccc1OC 169730011 KVPXGHJEZWPAPE-PASBJYMKSA-N 377.444 3.212 0 1 GGAF O=C(NCc1cccs1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 168336119 IGHZWNGVNUOBGL-UHFFFAOYSA-N 379.485 3.231 0 1 GGAF COc1cc(F)cc(N(CCO)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1 204171063 JLQHGFULSVHTBJ-UHFFFAOYSA-N 379.395 3.298 0 1 GGAF CCOC(=O)C[C@H](NC(=O)CCCCc1ccc(C(=N)N)cc1)c1ccccc1 3783247 QTTZVFKSSGRSCC-FQEVSTJZSA-N 395.503 3.494 0 1 GGAF CN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(Cc3cccs3)c2n1 4238847 VIXIMZXBDPAAMR-UHFFFAOYSA-N 391.500 3.148 0 1 GGAF CCOc1ccccc1N(C)C(=O)Cn1[nH]cc2c3cc(C)ccc3nc-2c1=O 103710504 ADBXXQFUPJQUEJ-UHFFFAOYSA-N 390.443 3.200 0 3 GGAF C=C1c2cccc(O)c2C(=O)c2c1cc(O)c1c(=O)cc([C@@H](C)[C@@H](C)O)oc21 2356382010 JPIKFLJADUHSCV-GXSJLCMTSA-N 378.380 3.294 0 1 GGAF CC(C)=CCOc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccccc3)N(C)C2=O)cc1 2356488285 HPWYMFOCBYZVLU-FCHUYYIVSA-N 392.499 3.142 0 1 GGAF CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)N(C)c1cc(OC)ccc14)[C@H]32 2356494630 KILNDJCLJBOWAN-VJBWXMMDSA-N 380.488 3.254 0 1 GGAF CC1(C)CC(=O)C[C@@]1(C)c1ccc(C(=O)OCC[C@@](C)(O)CC(=O)O)cc1 2356558353 WOXSROLDXSRULX-RTWAWAEBSA-N 376.449 3.106 0 1 GGAF O=S1(=O)C[C@H](N2CCC(Cc3ccccc3)CC2)CN1Cc1ccccc1 72139336 CXCFLKGKADZHEG-JOCHJYFZSA-N 384.545 3.155 0 3 GGAF Nc1ncnc2c1c(-c1cc3c(Cl)cccc3[nH]1)nn2CC1CCNCC1 84669857 FJXWCQDGZRUXDN-UHFFFAOYSA-N 381.871 3.210 0 1 GGAF CC(C)(CN)c1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1 40974698 OCQNIHKHIHUINJ-UHFFFAOYSA-N 376.439 3.416 0 1 GGAF COc1cccc(-c2c(N)c(C(=O)c3ccc(F)cc3F)cc[n+]2[O-])c1OC 43060122 APCQRBWGBTVHEI-UHFFFAOYSA-N 386.354 3.096 0 1 GGAF CCn1cnc2c(Nc3cccc(OC)c3)nc(N[C@H]3CC[C@H](O)CC3)nc21 261182318 WIQAYDNWTUCRTM-CTYIDZIISA-N 382.468 3.314 0 1 GGAF COc1ccc(-c2cc3ncsc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc1OC 263620857 OTUKQYFHRKKGEI-DGCLKSJQSA-N 399.472 3.279 0 1 GGAF in-vitro CCOC(=O)/C(=C/N(C)C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587756932 SJQADENORQRAHX-VYOSPJHESA-N 385.277 3.172 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ncc(Br)cc1N(C)C)[C@@H](C2)C3=O 587416823 GEIOXIRMZVEMTQ-SGTLLEGYSA-N 389.249 3.407 0 1 GGAF COc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cc1OC 587233752 CGKWQBXLBQUKHC-UHFFFAOYSA-N 389.452 3.443 0 1 GGAF COc1cc(Br)cnc1[C@@H]1N[C@@H](C)Cc2c(OC)ccc(OC)c21 963635110 LLGOBXFTKBBMEF-XTZNXHDOSA-N 393.281 3.494 0 1 GGAF CC1(NC(=O)OC(C)(C)C)CCC2(CC1)N[C@H](C(=O)O)Cc1cccc(F)c12 962891404 ATEOEYVITGTVIU-VUZGARFFSA-N 392.471 3.477 0 1 GGAF COc1ccc2c(c1OC)[C@H](c1cc(C)on1)N(C(=O)c1ccccc1N)CC2 963142625 QNDHVSVZCVKASW-FQEVSTJZSA-N 393.443 3.370 0 1 GGAF O=C(Nc1cccc(F)c1)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 5066901 VIJQEYHQVHJKAP-KRWDZBQOSA-N 399.447 3.166 0 3 GGAF CC[C@@H](CO)Nc1nc(NCc2ccccc2)c2nc(S)n(C(C)C)c2n1 13538286 RSWIQNYVHNSBBM-AWEZNQCLSA-N 386.525 3.491 0 1 GGAF COc1ccccc1N1CCC(CNC[C@H]2COc3cccc(F)c3O2)CC1 13799921 MVTOIWYCUADBKD-KRWDZBQOSA-N 386.467 3.480 0 1 GGAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccsc1 169351540 CADIKDVENIYPIY-WGJQQHLNSA-N 376.474 3.332 0 1 GGAF O=C(N[C@@H]1CCCN(CC2CC2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1 205036799 KNOJNDKGISTFHJ-GOSISDBHSA-N 375.476 3.229 0 1 GGAF Cc1ccccc1CN(C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CC1 1857579949 GBGHSUWSHAYCMO-JOCHJYFZSA-N 398.457 3.417 0 1 GGAF CN1CCN(c2ccc(-c3cn4c(-c5ccc(CO)cc5)cnc4cn3)cc2)CC1 1857612069 ZAVHAVPQFHMXAJ-UHFFFAOYSA-N 399.498 3.307 0 1 GGAF CC1(C)C[C@H]1N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 148586700 ZMAZCCGSJZVPEH-MGPUTAFESA-N 386.517 3.216 0 1 GGAF COc1cccc(NC(=O)N[C@@H](C)c2onc(-c3cccnc3)c2C(=O)O)c1 2356341128 GZZNHKCEYFRREG-NSHDSACASA-N 382.376 3.326 0 1 GGAF COc1ccc(N2C[C@H](CN3CCC(O)(c4ccccc4)CC3)OC2=O)cc1 3794354 HHPBCPWCYWKONJ-FQEVSTJZSA-N 382.460 3.004 0 1 GGAF C[C@H](OC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2)C(=O)Nc1ccc(N2CCOCC2)cc1 101686960 HRONWSQSJGBSHP-MLHJIOFPSA-N 386.492 3.220 0 1 GGAF COc1ccc2nc(C[C@H]3CN(Cc4ccccn4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305818 JPOFRVOEJXBETJ-CVEARBPZSA-N 394.475 3.122 0 1 GGAF CS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 28712002 VRUUANRIDBVMSL-UHFFFAOYSA-N 379.381 3.019 0 1 GGAF COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@H]2CC[C@@H]1N2Cc1ccccc1 29224256 XYKATAPFAYNVFX-ANULTFPQSA-N 379.456 3.438 0 1 GGAF COc1ccc2ccn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2c1 143563319 WGDNLYPNTSNDEC-UHFFFAOYSA-N 379.460 3.453 0 1 GGAF COc1ccc(NC(=O)O[C@H](c2ccc(OCCO)cc2)[C@@H](C)CCO)cc1 95785329 AYZZQGYRUATFAV-YWZLYKJASA-N 389.448 3.375 0 1 GGAF CC[C@@H]1C[N+]2=C(C[C@@H]1/C(=C\OC)C(=O)OC)c1[nH]c3cccc(OC)c3c1CC2 238776483 LRKSTCBIGUUOED-DCHMLSIZSA-O 397.495 3.284 0 1 GGAF CN1CCN(C(=O)C2(C(=O)Nc3cc(F)c(F)cc3F)CC2)c2ccccc21 299836180 MUDBQOKFCGOYJC-UHFFFAOYSA-N 389.377 3.306 0 1 GGAF COC(=O)c1cccc(NC(=O)Nc2cccc3c2[C@@H]2CCCCN2C3=O)n1 653740758 YDXQVABEPJBULM-HNNXBMFYSA-N 380.404 3.193 0 1 GGAF CCNC(=O)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O 587669995 SKNGZEVCEIESPT-UHFFFAOYSA-N 381.432 3.439 0 1 GGAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](O)c3cccc(O)c3)nc2c1 586889112 DZLXWIGUAKCPDV-OAHLLOKOSA-N 391.221 3.289 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCOCC4)cc1OC)[C@@H](C2)C3=O 587445616 WWVRCTKFMSJQHW-JTSKRJEESA-N 381.428 3.029 0 1 GGAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)NC[C@H]1CCCO1 587661694 RSNWKOGWXXZKIO-OAHLLOKOSA-N 383.448 3.104 0 1 GGAF COCCN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346078 RHLJAAFPWYSKGN-HXUWFJFHSA-N 385.435 3.371 0 1 GGAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 587040767 BNHYHZULVSAHNY-KRWDZBQOSA-N 388.537 3.015 0 1 GGAF N[C@H](Cc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(=O)O 587622366 ADTUTAJNTBLUDE-CYBMUJFWSA-N 399.248 3.428 0 1 GGAF CC(C)(C)CN1CCC[C@]2(CCN(C(=O)CCN3CCCCCC3=O)C2)C1 12573484 CPGAPJJRCBILAG-QFIPXVFZSA-N 377.573 3.140 0 1 GGAF Cc1nc(C)n(CC(=O)N2CCC[C@H](C(=O)c3cccc4ccccc34)C2)n1 13596287 XNMZZQNBJWQRKM-SFHVURJKSA-N 376.460 3.170 0 3 GGAF CC(C)[C@H](NC(=O)OC(C)(C)C)c1cc(C(=O)N(C)CCN(C)C)c(N)s1 169339853 LVKXNTNNOONLAW-HNNXBMFYSA-N 398.573 3.186 0 3 GGAF Cc1cnc2c(c1)nc(CCn1c(=O)n(C)c3cccnc31)n2-c1ccccc1 169349809 UKYWBBBBRUQTHD-UHFFFAOYSA-N 384.443 3.020 0 1 GGAF CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1nc2ccccc2o1 169714674 YDFXQSJZFCAXMK-UHFFFAOYSA-N 397.456 3.389 0 1 GGAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(Sc2ncccn2)ccn1 203340286 VFHAFPVRZDOVGP-INIZCTEOSA-N 394.456 3.277 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCO 4152165 NNMHVBFOQWMXHI-IFMALSPDSA-N 396.487 3.409 0 1 GGAF O=C(O)CCC/C=C/C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNCC(=O)Nc1ccccc1 26494310 QNVZKLNFWSYJGO-URXXEUQSSA-N 386.492 3.210 0 1 GGAF CCCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1 27211658 PQUOACIGRGYUFJ-AWEZNQCLSA-N 389.279 3.263 0 1 GGAF CS(=O)(=O)c1ccc(CN2CC[C@H](Nc3cccc4cnccc34)C2)cc1 114336020 IERPXRYTDDRYGB-SFHVURJKSA-N 381.501 3.325 0 1 GGAF c1ccc(Cc2noc(CN3CCCN(C4Cc5ccccc5C4)CC3)n2)cc1 22932619 FGAMLVOKAKGVAR-UHFFFAOYSA-N 388.515 3.336 0 3 GGAF CS(=O)(=O)N[C@H]1c2ccccc2-c2ccc(OCCN3CCCCC3)cc21 26577245 PQHCAGLYYFBFAA-NRFANRHFSA-N 386.517 3.170 0 1 GGAF C[C@@]12C[C@H](O)C[C@@](C)(CO)[C@H]1CC[C@@H]1[C@@H]3C=C[C@](C)([C@H](O)CO)C[C@H]3CC[C@H]12 2356578406 QJZOWGAARKUAKT-ZRJDWXIRSA-N 392.580 3.134 0 1 GGAF C=CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2C)C1=O 16032564 ZKLQCRXEVZDHLA-NFBKMPQASA-N 385.467 3.347 0 1 GGAF biogenic C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCCc1ccccc1F 82207719 DSIGGCGCRVQJST-KAKWSUSISA-N 390.499 3.237 0 1 GGAF Cc1cnc(NCC2CCCCC2)nc1N[C@@H](CO)C(=O)Nc1ccccc1 45201812 QUIKKJZMCSQVPS-SFHVURJKSA-N 383.496 3.189 0 1 GGAF O=C1N/C(=C\c2ccc(Cl)cc2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1 49807407 MPYCXIZBXNWCDJ-ZROIWOOFSA-N 397.239 3.275 0 1 GGAF CN1C[C@@H](c2cncn2C)[C@H]([C@H](OC(=O)c2ccccc2)c2ccccc2)C1=O 85944593 IBZKJMVCDSSXRB-CEWLAPEOSA-N 389.455 3.190 0 1 GGAF CC1(C)Oc2ccc(-c3cc(F)cc(F)c3)cc2[C@@]2(COC(N)=N2)C12COC2 149409275 GXWZNDMKCKULNS-NRFANRHFSA-N 386.398 3.360 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CCC(=O)N(Cc4ccccc4)CC1)[C@@H](C2)C3=O 587438234 NZMKYHHPNQCEHF-MBSDFSHPSA-N 377.440 3.394 0 1 GGAF COc1ccc2c(c1)NC(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587792062 KXPJRHIYTMHZJM-YYSFKGJASA-N 391.240 3.327 0 1 GGAF CN1[C@@H]2COC[C@H]1C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334610 FOJGLTMVAICAMV-IALVJMBCSA-N 383.419 3.122 0 1 GGAF Fc1ccc(Br)c(-c2nnc(CCc3nc4cnncc4[nH]3)o2)c1 587157933 PUWJZMLHMORRKU-UHFFFAOYSA-N 389.188 3.090 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(F)cccc12 587571665 RNQRFHIALJUSIQ-KKSFZXQISA-N 377.327 3.341 0 1 GGAF NS(=O)(=O)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587016929 FFFJZPAYIQGMRD-UHFFFAOYSA-N 391.865 3.049 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc2nccn2c1 587869507 JKTLYVPCOKUUIX-UHFFFAOYSA-N 387.321 3.309 0 1 GGAF Cc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)n(C(C)C)n1 587276626 PBWKSFBHKRYQKK-UHFFFAOYSA-N 378.226 3.399 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c3oc(=N)[nH]c3c2)N1 587749028 ZQQCXPZABDIFAZ-NZFNHWASSA-N 392.228 3.471 0 1 GGAF Nc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1N 587003446 KRRGEPZLPPPILO-QMMMGPOBSA-N 387.237 3.125 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(OC)cc(C)c3N)[nH]c2c1 587248705 FSGBSKASICXOQH-UHFFFAOYSA-N 388.493 3.160 0 1 GGAF COc1cc2nc(Cl)nc(NS(=O)(=O)c3ccc(C)cc3)c2cc1OC 1772601455 VJXQTQQKKBMBQV-UHFFFAOYSA-N 393.852 3.410 0 1 GGAF COC[C@@H]1C[C@@H]1c1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@H]1CCCNC1 1772584589 VNPQQGXWMYSECL-DCAQKATOSA-N 397.306 3.116 0 1 GGAF O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)NCC[C@H]1CCCCO1 12387123 XNZKBPBKLUVRJI-MRXNPFEDSA-N 382.464 3.150 0 3 GGAF O=C(Nc1ncnc2c1ncn2C(=O)NC1CCCCC1)NC1CCCCC1 169317185 NNXXQOZKFCJFPH-UHFFFAOYSA-N 385.472 3.171 0 1 GGAF COc1cc2nc3n(c2cc1OC)[C@H](O)c1c(Cl)nc(SC)nc1S3 1860107 CIMWSANVOPMHKO-CYBMUJFWSA-N 396.881 3.223 0 1 GGAF Cc1c(C(=O)NCc2ccco2)oc2ccc(S(=O)(=O)N3CCCC3)cc12 2459972 NTWDZWBYTHOBME-UHFFFAOYSA-N 388.445 3.049 0 1 GGAF COc1ccccc1[C@@H]1CC(c2ccc(N3CCOCC3)cc2)=NN1C(C)=O 103204465 ISCQGDUQTYCHFI-NRFANRHFSA-N 379.460 3.229 0 1 GGAF COc1ccc(-c2cnc3nc(N)nc(NCc4cccs4)c3n2)cc1OC 66258426 MJBWUIRAGLSANE-UHFFFAOYSA-N 394.460 3.360 0 1 GGAF O=S(=O)(c1cccc(Cl)c1)c1cn([C@@H]2CCCNC2)c2ncccc12 28862297 ASKBSODPKRADGV-CQSZACIVSA-N 375.881 3.447 0 1 GGAF CC[C@]12CCCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1cc(OC)c(O)cc14)[C@H]32 2356687004 ZURZSBHWLYFFBR-BHIFYINESA-N 384.476 3.159 0 1 GGAF O=C(CNc1ccccc1Cl)N1CCCN(Cc2nc3ccccc3[nH]2)CC1 49070561 MQVXUALFDLYZSF-UHFFFAOYSA-N 397.910 3.363 0 1 GGAF CCCn1c(=O)c(NCc2ccc(OCC)cc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205827 JHHOBZKOZZFJQG-QZTJIDSGSA-N 398.507 3.340 0 1 GGAF Cc1n[nH]c(C)c1-c1ccc2[nH]nc(-c3cc(N4CCO[C@H](C)C4)ncn3)c2c1 225561007 KJGNSEJSNASCPJ-GFCCVEGCSA-N 389.463 3.252 0 1 GGAF CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2ccccc2C(C)=O)ON1C 95590924 ZYXYIDCHDNKVPW-HZPDHXFCSA-N 384.369 3.056 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)c4cncc(Cl)c4)ccc31)[C@H]1CC[C@@H](C2)N1 96175167 IWIPFHPMQACIHG-BLLLJJGKSA-N 387.892 3.409 0 1 GGAF C[C@@H]1Cc2c(cnn2-c2ccccc2)C(=O)N(C2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)C1 95591750 ZORKFISLJDPJLY-GQORNFJBSA-N 391.515 3.446 0 1 GGAF CCc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1 299852183 OOSOTHZPRICYEI-SJLPKXTDSA-N 391.475 3.297 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)nc2)N1 587849485 MQLKHZYSDDMLFQ-XXFAHNHDSA-N 399.285 3.010 0 1 GGAF CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587606951 KBQLMLFEMNBDRT-RXVVDRJESA-N 396.420 3.499 0 1 GGAF COC(=O)c1ccc2[nH]c(-c3ccc([C@H]4C[C@@H]4C(=O)OC)cc3)nc2c1OC 587785880 PIWJRGFVFKSJSZ-CABCVRRESA-N 380.400 3.302 0 1 GGAF CCCCNS(=O)(=O)c1ccc2[nH]c(C(=O)CCc3ccccc3)nc2c1 587954361 QOXAIBRQUYGZNN-UHFFFAOYSA-N 385.489 3.457 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC(=O)c4ccnn4C)c1)[C@@H](C2)C3=O 587429850 BFFICZGQVHGEQB-KKSFZXQISA-N 390.395 3.137 0 1 GGAF C[C@@H]1CCc2c(sc3nc(SCC(=O)c4cccs4)n(N)c(=O)c23)C1 958026529 OJBKANMULKOPMO-SECBINFHSA-N 391.543 3.333 0 1 GGAF Cn1c([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)nc2ccccc21 962968547 OTYWTEOMKQUUKI-LRDDRELGSA-N 377.778 3.193 0 1 GGAF CC[C@H](NC[C@H](C)C(N)=O)c1ccc(Cl)c(C(=O)c2cccnc2)c1F 1772616354 RAEPFGFONTWXGZ-NHYWBVRUSA-N 377.847 3.267 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NCC3CCNCC3)c2cn1)c1ccccc1 1772611800 CDVMMCFBSFZPNR-CQSZACIVSA-N 393.495 3.252 0 1 GGAF O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1)N1CCCCC1 15673608 FIYYNKDITJEDKP-OALUTQOASA-N 397.519 3.424 0 1 GGAF biogenic Cc1ccc(CN2CCN(CC(=O)[C@](O)(c3ccccc3)C3CCC3)CC2)cc1 19360970 HDXOCGZHRNMOHL-VWLOTQADSA-N 392.543 3.370 0 1 GGAF O=C(c1ccc2c(c1)CCO2)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 206057171 DICHUHKIHGTKLS-SUMWQHHRSA-N 386.810 3.289 0 3 GGAF CC(=O)N1CCC[C@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 167028379 KWPYYWPRIKGUGK-FQEVSTJZSA-N 380.448 3.019 0 1 GGAF COc1ccc(CN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 763081 LNHYNCRHKSDNTC-IBGZPJMESA-N 382.460 3.445 0 1 GGAF O=C(NC[C@H]1CCCO1)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 7991439 LDOBUKYHRLKRBG-FVQBIDKESA-N 394.397 3.452 0 1 GGAF O=C(O)CCC/C=C/C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNCC(=O)Nc1ccccc1 26494314 QNVZKLNFWSYJGO-OSZQSPJESA-N 386.492 3.210 0 1 GGAF c1ccc(CN2C[C@H]3CN(NCC4CC4)C[C@@H](C2)C32SCCS2)cc1 26577052 SKKSVFRCAAISBQ-KDURUIRLSA-N 375.607 3.141 0 1 GGAF C[C@H]([C@H](O)CO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C(=O)[C@H]4C[C@@H](F)CC[C@]4(C)[C@H]3CC[C@@]21C 118921477 JTAIDVXHXMRJKJ-RTSVEMJMSA-N 396.543 3.123 0 1 GGAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Oc2ccc(F)cc2)C1 116981233 QAEVQXQXFWVYDP-CYBMUJFWSA-N 397.454 3.198 0 1 GGAF COc1cc2[nH]c(=S)n(CCc3ccncc3)c(=O)c2cc1-c1cnco1 28332677 BXARZKAEXHGXNX-UHFFFAOYSA-N 380.429 3.360 0 1 GGAF C[C@]1(O)CCN(C(=O)c2ccccc2F)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356453359 VQMARVCSENKPEC-MZKRTTBSSA-N 396.462 3.059 0 1 GGAF O=S1(=O)CCC(CNc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1 113132548 AZXNYRZQUJYHMC-UHFFFAOYSA-N 390.896 3.286 0 1 GGAF C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4OC[C@H]32)CC1 22930594 MUUSOYWTPTTZII-BASMTRSQSA-N 389.499 3.129 0 1 GGAF CCOC(=O)c1cn2c(n1)-c1cc(Br)ccc1-n1cnc(C)c1C2 45324377 QQRIHRTVEDHQBP-UHFFFAOYSA-N 387.237 3.345 0 1 GGAF CC(=O)c1cccc(Nc2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cn2)c1 199937580 BHUFDAPMUZEKTF-UHFFFAOYSA-N 399.476 3.179 0 1 GGAF Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(NS(N)(=O)=O)cc2)cc1 84671698 SHGXCCXQSBQHLD-UHFFFAOYSA-N 396.394 3.482 0 1 GGAF O=C(NCCCC[C@H](NC(=O)c1cccs1)C(=O)O)OCc1ccccc1 40411844 AQCVVGWXCDKQLI-HNNXBMFYSA-N 390.461 3.028 0 1 GGAF COc1ccc(-n2nc(C(=O)N3CCCC3)cc2-c2ccc(Cl)cc2)nn1 96928085 IDJYUCYHTMWOAV-UHFFFAOYSA-N 383.839 3.227 0 1 GGAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587204310 PDIIQAHBMVADGW-IBGZPJMESA-N 394.475 3.221 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1ccc(F)cc12 587733387 OFOANQVYBVBFJV-DYBLOJMWSA-N 393.231 3.482 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(CS(=O)(=O)NC)cc1 587873449 ZQFRJVNLMJMRSU-UHFFFAOYSA-N 389.452 3.126 0 1 GGAF N[C@H](N=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587119280 ASIVPQQLNVMBCO-MRXNPFEDSA-N 378.358 3.429 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)CN1CCOCC1 587863080 CBGNUJDNQMMBFZ-ZDUSSCGKSA-N 397.397 3.186 0 1 GGAF COc1cc(Br)c([C@@H](N)c2nc3cc(Cl)ncc3[nH]2)cc1OC 586974555 DPNMPLNXNWZQCN-CQSZACIVSA-N 397.660 3.439 0 1 GGAF CN1CCN(c2ccc3nc([C@]4(C)Cc5ccc(F)cc5C(=O)O4)[nH]c3c2)CC1 587173372 CFTQAEHSUZFEDF-QFIPXVFZSA-N 394.450 3.082 0 1 GGAF C[C@@H](Cc1ccccc1)N1CCC2(CC1)N[C@H](C(=O)O)Cc1cccc(F)c12 962900743 JJBZZXDGZCCQAX-JXFKEZNVSA-N 382.479 3.347 0 1 GGAF CN(Cc1ccccc1)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C)C1=O 11840114 ZIOUQLKDKKZNFS-OAQYLSRUSA-N 384.863 3.015 0 1 GGAF O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1cccc(Cl)c1Cl 207701885 UBUKDGULHSDGAK-MRXNPFEDSA-N 380.275 3.192 0 1 GGAF 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CCCS(=O)(=O)c1ccc2[nH]c(N3CCN(C)[C@H](c4ccccc4)C3)nc2c1 95577897 GUHWVHQUMJTYGQ-FQEVSTJZSA-N 398.532 3.240 0 1 GGAF Cc1cc(Br)c2c(c1)[C@](O)(c1cn(C)c3ccccc13)C(=O)N2C 95600231 ILIGVLJAHARHFJ-IBGZPJMESA-N 385.261 3.462 0 3 GGAF Cc1cc2ncc3c(n2n1)CN([C@@H]1CC[C@H](c2cc(F)ccc2F)[C@@H](N)C1)C3 653916431 YKWZEQPGFWMFQD-MDZRGWNJSA-N 383.446 3.295 0 1 GGAF Nc1cccc(-c2nc3cccc(I)c3[nH]2)c1C(=O)O 587248079 BZKMTOBWEYVWHP-UHFFFAOYSA-N 379.157 3.115 0 1 GGAF CCOC(=O)CCOCCCOCCc1nc2ccc(OC(C)C)cc2[nH]1 587568824 NKVCWZBBESQIIA-UHFFFAOYSA-N 378.469 3.269 0 1 GGAF Brc1cncc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586966721 KBKSVVIQSRJRLY-UHFFFAOYSA-N 389.238 3.458 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2ccnn2C)N1 587760078 NYWWZHVKJDCYGW-MWSHKUMGSA-N 393.304 3.175 0 1 GGAF COc1cccc(OCC(=O)c2c(CO)oc3cc(Br)cnc23)c1 587274664 YDVFUTHGKYOODY-UHFFFAOYSA-N 392.205 3.353 0 1 GGAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1nnn(-c2ccccc2)c1C 963586270 VDFRMWKLRDNWOC-FPTDNZKUSA-N 378.476 3.391 0 1 GGAF COc1cccc(Nc2oc3cc(=O)ccc-3cc2C(=O)NC[C@@H]2CCCO2)c1 5447960 GZEFBLGKURUYKT-SFHVURJKSA-N 394.427 3.406 0 3 GGAF CC(C)Oc1cc(-c2cncc(-c3cnn(C4COC4)c3)c2)ccc1C(N)=O 1857617563 FXMBSEOFWALADX-UHFFFAOYSA-N 378.432 3.070 0 1 GGAF CCNCc1cc2cc3c(cc2n1C)SCCc1c-3nc(O)c(C(=O)O)c1O 1857646146 SNWOALGOJJDTMA-UHFFFAOYSA-N 399.472 3.107 0 1 GGAF CN(C)S(=O)(=O)c1ccc(CCc2nnc(CCCc3ccccc3)o2)cc1 1857750991 QUOVYWBIDRADQZ-UHFFFAOYSA-N 399.516 3.280 0 1 GGAF COc1cccc(-c2nc(C(=O)NC[C@H](O)c3ccccc3)c(C)o2)c1OC 2356335296 XLYCPINEMIZSEN-INIZCTEOSA-N 382.416 3.131 0 1 GGAF CCN(CC)C(=O)CSc1nnc(-c2cccc(Br)c2)n1C 2550458 VZQMZNWOGPAWTA-UHFFFAOYSA-N 383.315 3.205 0 1 GGAF COc1ncc2nc(CCc3ccccc3)c(=O)n(CCc3ccccc3)c2n1 4238903 FHIOJCIEMHTMTL-UHFFFAOYSA-N 386.455 3.223 0 1 GGAF C[C@H]1CCC[C@H](NC(=O)COC(=O)Cc2ccc(Br)cc2)[C@@H]1C 4913333 NSCXYLNROUFNFF-ZENOOKHLSA-N 382.298 3.476 0 1 GGAF CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@@H]2Nc2cccnc2)CC1 4914778 IWFYNEKIIFBBSX-LJQANCHMSA-N 380.448 3.269 0 3 GGAF CC(C)n1c(=O)ccc2ncc(Nc3ccc(N4CCN(C)CC4)cc3)cc21 53294159 PDTMFSLBHZYJLU-UHFFFAOYSA-N 377.492 3.473 0 1 GGAF O=C1c2cnn(-c3ccccc3)c2CCCN1[C@@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 101668571 DXTVIGRKFLRQSS-AOCUCGKRSA-N 377.488 3.200 0 1 GGAF O=C1c2cccc3c2c(nn3-c2ccc(F)cc2)CN1[C@H]1CN2CCC1CC2 66103882 JCMOIELRWILJKV-FQEVSTJZSA-N 376.435 3.215 0 1 GGAF CCCCC[C@H](O)C=C[C@@H]1OC(=O)C[C@H](O)[C@@H]1CC=CCCCC(=O)OC 2356740568 SRJHRLWLWLZJOG-VJANTYMQSA-N 382.497 3.066 0 1 GGAF CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSc1nc(C(=O)O)cs1 73222404 MLTFVBYSLWBJNK-AJKRIUKHSA-N 398.550 3.422 0 1 GGAF CCC[C@H](CC1(C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)CCCC1)C(=O)O 34803331 DXFWFDIVNNUBBJ-BBWFWOEESA-N 380.529 3.201 0 1 GGAF O[C@@H]1[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)O[C@@H](C(F)(F)F)[C@@H]1O 40896440 AISDFOFZWIBAQR-RGOKHQFPSA-N 391.560 3.178 0 1 GGAF CCN(C)C(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccco1 82143084 MZYDTBWIYFDYAW-UHFFFAOYSA-N 380.404 3.169 0 1 GGAF CCCCOCCOC(=O)[C@@H](C)NC(=O)c1csc(Nc2ccccc2)n1 82084055 ROEFAIOXOVNJGT-CQSZACIVSA-N 391.493 3.365 0 1 GGAF O=C(Nc1cccc(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 84709003 XOFURTMJFUZZKK-INIZCTEOSA-N 376.932 3.364 0 1 GGAF CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(CNC(C)=O)c2cn1 147396214 USABNRUSMYNPRU-UHFFFAOYSA-N 377.448 3.383 0 1 GGAF CCOC(=O)C[C@@H](C)NC(=O)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 147972586 KEUAWEIMFBDOKK-GFCCVEGCSA-N 391.431 3.178 0 1 GGAF O=C(c1ccc(C2CC2)c(OCC2CC2)n1)N1CC[C@H]([C@@H](O)C(F)(F)F)C1 146449216 UPFRRDUBZREZMS-XJKSGUPXSA-N 384.398 3.133 0 1 GGAF CCOc1ccc(Nc2c(C)c(N(C)[C@H]3CCCNC3)nc3ccnn23)cc1 95556762 MQDBEPPETPSXJD-KRWDZBQOSA-N 380.496 3.368 0 1 GGAF CC[C@@]1(O)CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)OC)C[C@@]42CN(C)C1 238760354 NEGWEUWYIYCILR-KZNLRILISA-N 389.536 3.123 0 1 GGAF Cc1cccc2nc3c(cc12)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3 95559179 QVHGWUIJZNMNKE-UBFVSLLYSA-N 386.495 3.277 0 1 GGAF COc1cc2c(=NCCCCCN3CCCC3)[nH]c(N3CCCC3)nc2cc1O 473124188 WTSTWROCQNFAFZ-UHFFFAOYSA-N 399.539 3.044 0 1 GGAF Clc1c[nH]c2nc(CCn3ncc4cc(Br)ccc43)nc-2n1 587001034 BYPWYKJPCKQLRM-UHFFFAOYSA-N 377.633 3.313 0 1 GGAF NS(=O)(=O)c1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 586979853 DLHUWSMNVUMMPY-UHFFFAOYSA-N 386.658 3.293 0 1 GGAF COC(=O)c1cc(Cl)c2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc2c1 586925163 WQACFKLODBEBIA-BQYQJAHWSA-N 376.821 3.448 0 1 GGAF O=S(=O)(O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587077307 VJUWIROOHKGSRV-OAHLLOKOSA-N 377.809 3.080 0 1 GGAF O=C(N[C@H](Cc1nc2cnc3ccccc3c2[nH]1)C(=O)O)OCc1ccccc1 587204400 XTLHHGASRGMNMM-MRXNPFEDSA-N 390.399 3.033 0 1 GGAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(=N)[nH]cc3[nH]1)N2 587031247 MLRZZXLUSKTLPF-FVNYMESBSA-N 386.506 3.497 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CN(C)N[C@@H]2C(F)(F)F)N1 587723068 VEYIADAPUFEAHQ-FFQAGHOLSA-N 396.226 3.161 0 1 GGAF CCS(=O)(=O)c1ccc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2c1 587787168 KTULMIQHLVJHNL-UHFFFAOYSA-N 386.473 3.489 0 1 GGAF CCOc1ccccc1[C@@](N)(c1nc2cc3c(cc2[nH]1)OCO3)C(F)(F)F 587093866 YUPKAYYEOOHFJO-QGZVFWFLSA-N 379.338 3.455 0 1 GGAF Cn1c(NCCc2ccc(-n3cccn3)cc2)nc2cc(Cl)ccc2c1=O 1772642616 KBYDZNVJPIRQHL-UHFFFAOYSA-N 379.851 3.427 0 1 GGAF Cc1cccc2nc(CNC(=O)CN3Cc4cc(Cl)ccc4O[C@H](C)C3)cn12 11968836 OIQDRGPKRHQJQI-OAHLLOKOSA-N 398.894 3.195 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N4CCC4)n3)C2)cc1 169709880 KSQQDDZKOOIZEC-OXJNMPFZSA-N 380.492 3.147 0 1 GGAF O=C1c2cc3c(cc2C(=O)N1CCC1CCN(Cc2ccccc2)CC1)OCO3 206538441 JXGLOHWZAFNLOQ-UHFFFAOYSA-N 392.455 3.314 0 1 GGAF CCc1c(-c2ccc3c(c2)cc(CN2CCCC2)n3C)[nH]c(=O)c(C(=O)O)c1O 142709315 IQIOLRNYCLEQLD-UHFFFAOYSA-N 395.459 3.096 0 1 GGAF C[C@H]1CCCCN1Cc1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1 4907549 ALXVQBNGZRZDEE-KRWDZBQOSA-N 396.539 3.163 0 3 GGAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@H]2[C@H]1[C@@H]1C[C@@]3(C)O[C@@](C)(CC[C@@H]3O)[C@@H]2O1 2356441523 WDBWGFYTOQTQAN-LGTPKLFNSA-N 380.525 3.466 0 1 GGAF Cc1ccc(S(=O)(=O)[C@H]2C(=O)N(C)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1C 101626635 ARPMGSDUMKEKFQ-QFUCXCTJSA-N 385.485 3.200 0 1 GGAF O=S1(=O)C[C@H](c2ccc(Cl)cc2)N(CO)[C@@H](c2ccc(Cl)cc2)C1 103277468 XZIFWIMECSMWOG-IAGOWNOFSA-N 386.300 3.456 0 1 GGAF CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Sc1ccccc1)C(=O)O 27707904 FEHORUPRKICMFK-ZBFHGGJFSA-N 396.509 3.245 0 1 GGAF CC[C@H](C(N)=O)N1C[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O 34291478 CYKQOGRIBMLQSQ-JOYOIKCWSA-N 382.304 3.304 0 1 GGAF Cc1noc(C)c1-c1ccc2c(c1)CCn1c-2cc(OC[C@@H]2CCCO2)nc1=O 219828289 KVJJWMAJWRLULS-KRWDZBQOSA-N 393.443 3.296 0 1 GGAF C[C@H]1c2nnn(-c3ncccn3)c2CCN1C(=O)c1ccc(Cl)cc1Cl 225991431 QCYUCLKQXJJFRJ-JTQLQIEISA-N 389.246 3.124 0 1 GGAF COC[C@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 139832017 BPLBOGYZWFPPPN-INIZCTEOSA-N 375.476 3.101 0 1 GGAF CN1CCN(Cc2c3c(nc4ccccc24)-c2cc4ccccc4c(=O)n2C3)CC1 40403219 JWDLGWZMFTWREQ-UHFFFAOYSA-N 396.494 3.326 0 1 GGAF c1cnc(Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)cn1 223672555 ILUJCDKHTWBHRY-CYBMUJFWSA-N 390.476 3.061 0 1 GGAF CC(C)(C)n1nnnc1[C@H](C1CC1)N1CCN(C/C=C/c2ccccc2)CC1 95570628 CWJYKCFZRKJZOM-OSICKASQSA-N 380.540 3.210 0 3 GGAF COc1ccc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc1OC 141925743 RPYMEOCZLCXVGD-UKRRQHHQSA-N 393.443 3.217 0 1 GGAF CCOc1cccc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)c1 149408826 NKMRFFYBJGWRSX-HSZRJFAPSA-N 394.471 3.480 0 1 GGAF CC(=O)O[C@]1(C)CC[C@H](O)[C@@](C)(O)C[C@H]2O[C@@H]1[C@@H]1[C@@H](C(C)C)CC=C(C)[C@H]21 140511453 FHFNXKMKLQUKQY-UTEQDJHMSA-N 380.525 3.226 0 1 GGAF CS(=O)(=O)NC(=O)c1ccc(CNC23CC4CC(CC(C4)C2)C3)c(Cl)c1 261134259 LTOSGXLBECTENN-UHFFFAOYSA-N 396.940 3.088 0 1 GGAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc4cc[nH]c4c3)c2)c1 653916367 IPBMPWAQUJDELY-UHFFFAOYSA-N 386.411 3.493 0 1 GGAF CC1(C)OC(=O)C(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)=C1N 587255630 TZPVHUJNGCIRMQ-UHFFFAOYSA-N 390.159 3.349 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)[C@@H](C2)C3=O 587441603 GDOREZOUMJFOPL-VBKZILBWSA-N 384.384 3.126 0 1 GGAF O=C1COc2cc3[nH]c(-c4ccnc5[nH]cc(Br)c45)nc3cc2N1 587002467 GGJGWSZNMVGOBS-UHFFFAOYSA-N 384.193 3.200 0 1 GGAF c1ccc2c(c1)nc(-c1cscn1)n2Cc1nc2ccc(-n3cnnn3)cc2[nH]1 587028888 BELYIMYKCQDNOQ-UHFFFAOYSA-N 399.443 3.060 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](CC(=O)OCC)C(=O)OCC)CC2=O 587483482 QLUSLPXDCZQTIF-YCRPNKLZSA-N 392.448 3.201 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccnc(OC)c1)CC2=O 587487751 NQLWISAASSWEJQ-OAQYLSRUSA-N 385.416 3.474 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Br)cc(F)cc21 587385726 UOTRPTQALJZIHA-KRWDZBQOSA-N 391.196 3.292 0 1 GGAF CC[C@H](c1nc2c(C)nccc2[nH]1)n1cc(I)c(C)n1 587185278 QVGQYMMZUNJXGN-GFCCVEGCSA-N 381.221 3.375 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cc(Br)cc(C=O)c1)NCC2 962933233 SVYLBLUTXIPXKY-GOSISDBHSA-N 387.277 3.199 0 1 GGAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@H](COCc2ccccc2)N1 962635905 KTSPKUSUONAMLY-CABCVRRESA-N 381.350 3.442 0 1 GGAF CC(C)N(C[C@@H](O)Cn1c2cc(F)ccc2c2ccc(F)cc21)S(C)(=O)=O 149593689 JIJNPXIEQVWQIQ-HNNXBMFYSA-N 396.459 3.104 0 1 GGAF COc1ccc(OC)c(CCNC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)c1 5058797 VZRIDUPCENEHHS-UHFFFAOYSA-N 387.476 3.185 0 1 GGAF C/C=C(\C)CN1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 12465979 FBKLAJJHSWYRIQ-CRKCGEKBSA-N 382.464 3.467 0 3 GGAF COC(=O)/C=C/c1ccccc1-c1cccc2c(=O)cc(N3CCOCC3)oc12 13677194 VAGKEINOUOIQOD-MDZDMXLPSA-N 391.423 3.483 0 1 GGAF COc1ccc(Cl)cc1NC(=O)Nc1cncc(O[C@H](C)CN(C)C)n1 14958156 GIAYFZLMPSVQDV-LLVKDONJSA-N 379.848 3.112 0 1 GGAF COc1ccc(C2=NO[C@@H](Cn3nc(C(=O)O)cc3-c3ccccc3)C2)cc1 15934979 HEOQYACALDYGSP-QGZVFWFLSA-N 377.400 3.450 0 3 GGAF COC(=O)[C@@H]1C(Cn2cnc3ccccc32)=NC(=O)N[C@@H]1c1cc(C)ccc1C 169691624 XLHIDMIWDLJMDO-WOJBJXKFSA-N 390.443 3.348 0 1 GGAF CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4206527 FXGUTGXNRGUPSS-PKOBYXMFSA-N 389.883 3.483 0 1 GGAF CCCCc1c(O)c2cccnc2n(-c2ccc(O)c(C(=O)OCC)c2)c1=O 101237778 BTMIKZYPFZICPJ-UHFFFAOYSA-N 382.416 3.316 0 1 GGAF Cc1cc(Cl)n(CS(=O)(=O)n2cc(C3=CCCNC3)c3ccccc32)n1 28527097 GAYQDWLUBHUGLY-UHFFFAOYSA-N 390.896 3.012 0 1 GGAF COc1cc2oc(=O)c3c(c2cc1OC)CCN(C[C@H](C)N1CCCCC1)C3 27732776 RATSJDJJDNKGJV-HNNXBMFYSA-N 386.492 3.043 0 1 GGAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)NCc1ccncc1 26575488 OAFWAONJPRHKGK-KRWDZBQOSA-N 391.512 3.233 0 1 GGAF CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)C(=O)C[C@@H]1N1CCOCC1 33815031 OJXUZWPZAHUBKO-MDNUFGMLSA-N 381.472 3.232 0 1 GGAF COc1cc(N2CC(NC(=O)c3ccc4snc(C)c4c3)C2)c(Cl)cn1 1911576947 JHSCUPQMXDHQSP-UHFFFAOYSA-N 388.880 3.280 0 1 GGAF COc1cc2nc(N(C)Cc3ccccc3)nc(NC[C@H](C)O)c2cc1OC 82129401 TZRGBXSGUUJMNG-AWEZNQCLSA-N 382.464 3.076 0 1 GGAF Cc1c(C)n(C[C@H](O)CSc2nnnn2-c2ccccc2)c2ccccc12 84705092 KRHNJABZNHNXIY-KRWDZBQOSA-N 379.489 3.387 0 1 GGAF O=C(c1ccc(Cl)cc1Cl)N1CCn2c(Br)nnc2C1 95565872 VDWVUYHECOPRFQ-UHFFFAOYSA-N 376.041 3.003 0 1 GGAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CN(C)C(C)=O 95871967 GMLSJYXNUSREQD-QZNHQXDQSA-N 384.520 3.188 0 1 GGAF COC(=O)c1cccc(O)c1NC(=O)c1ccccc1NC(=O)c1cccnc1 238749401 HGILROHNRVPEBC-UHFFFAOYSA-N 391.383 3.078 0 1 GGAF CC(C)C[C@H](CNC(=O)c1ccncc1)Cc1ccc2c(c1C(=O)O)OCO2 95920996 MNUFCQCGIBAEIV-AWEZNQCLSA-N 384.432 3.143 0 1 GGAF in-vitro O[C@H](CNCCOc1ccccn1)COc1cccc2[nH]c3ccccc3c12 96939954 UYFGCTFNEKHLMN-MRXNPFEDSA-N 377.444 3.124 0 1 GGAF CC(C)c1cn2c(Cl)c(C(=O)N3CCN(C4CCCC4)C(=O)C3)nc2s1 299852803 XQSZTKVCDCCQMN-UHFFFAOYSA-N 394.928 3.400 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c2c1 587253240 DSXHGUHARBDMEC-UHFFFAOYSA-N 395.488 3.269 0 1 GGAF Cc1cc(OC(C)(C)C)n(-c2nn(-c3ncccn3)cc2Br)c1O 587940253 NRVIWNCQRILMRY-UHFFFAOYSA-N 392.257 3.407 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCCN1CCCC1=O)[C@@H](C2)C3=O 587445334 VGQICNRZOAFXMO-GAJHUEQPSA-N 393.439 3.185 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3[nH]c(=N)sc3C2)N1 587853553 AETRSDMPZJEXJK-PWJLMRLQSA-N 382.302 3.376 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ncccn2)N1 587741020 FTEPOXGKCAIBDB-BMLIUANNSA-N 393.260 3.156 0 1 GGAF COCCCn1nccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587761131 SKBIVXQTGFHUPL-APPDUMDISA-N 382.277 3.445 0 1 GGAF CN(C)CCOc1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 587154726 DNCPSSGUWDKQLR-UHFFFAOYSA-N 379.233 3.467 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c2ccc(F)c1F 587568232 GXHHBTWTGIMZQX-BTYIYWSLSA-N 395.317 3.480 0 1 GGAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@]2(CSCc3c(F)cccc32)N1 963230041 LDOIVKRBUBYHCJ-TZIWHRDSSA-N 380.444 3.463 0 1 GGAF Nc1ncc(Cc2nn3c(COc4ccc(Cl)cc4)nnc3s2)s1 5933418 VZEXKJJNZAYAHF-UHFFFAOYSA-N 378.870 3.048 0 1 GGAF COc1cc2nc(-c3cccs3)nc(NN3C(=O)C=C(C)C3=O)c2cc1OC 13587551 XAOSTTDZPGBTEB-UHFFFAOYSA-N 396.428 3.018 0 1 GGAF COc1cc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)ccc1O 14437313 NHMZUDOXUOAEOH-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF endogenous,in-man Cc1cnc(NC(=O)C(C)(C)n2cc(-c3ccc4c(c3)OCCO4)cn2)s1 206059140 DYLWXTDPEVCOQT-UHFFFAOYSA-N 384.461 3.460 0 3 GGAF CN(C[C@H]1CCCO1)C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166929046 JGUWGIBPZLFKKR-HXUWFJFHSA-N 379.460 3.485 0 1 GGAF COc1ccc(N2N=C(C)[C@@H](C(=O)Nc3cccc(-c4ccco4)c3)C2=O)cn1 1857574732 RAARGXQVFWAGNR-IBGZPJMESA-N 390.399 3.328 0 1 GGAF CN(C)Cc1cc2cc3c(cc2n1C)SCCc1c-3nc(O)c(C(=O)O)c1O 1857761911 UUKHBEHKFMOJJR-UHFFFAOYSA-N 399.472 3.060 0 1 GGAF CO[C@@H]1O[C@@H]2C[C@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@@H]3CCC[C@@H]1[C@]23CO 2356385640 SUPRLOYYPNFRNB-WJCWXFCVSA-N 376.449 3.060 0 1 GGAF Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCCC2)S3)cc1 3008041 BRSJFAGGXJTYSM-NRFANRHFSA-N 381.501 3.391 0 1 GGAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(OC)c(OC)c1 104116511 LPWXDJNXXNMEOV-HVESIFNPSA-N 387.440 3.362 0 1 GGAF CCNC(=O)Nc1nc2cc(-c3cncc(F)c3)cc(-c3ncccn3)c2[nH]1 102265291 FKCGKEHVIVGGDU-UHFFFAOYSA-N 377.383 3.362 0 1 GGAF in-vitro CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccc(Cl)cn1 27325124 NXJSEMGDOWDTFM-HNNXBMFYSA-N 391.880 3.144 0 1 GGAF COc1cc2oc(=O)c3c(c2cc1OC)CCN(C[C@@H](C)N1CCCCC1)C3 27732769 RATSJDJJDNKGJV-OAHLLOKOSA-N 386.492 3.043 0 1 GGAF CC[C@@H]1C(O)=C2CC[C@@]3(C)C[C@H](C)[C@@H](O3)[C@H](O)C[C@H](C)C(=O)C[C@H]1OC2=O 2356715427 WHJYUMSXIZMUHM-PYPWEJQJSA-N 380.481 3.074 0 1 GGAF CCC(=O)N(CC)C[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(C)=O 95895311 QCJPMHFSVFRNMO-ZDXQCDESSA-N 394.515 3.287 0 1 GGAF COC(=O)N1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1cc(O)c(OC)cc1-3 140095492 CMJDWJRGWFWFKE-AWEZNQCLSA-N 385.416 3.307 0 1 GGAF C/C=C/c1ccc([C@@H]2[C@H]3CN(Cc4ccc(F)cc4)CC(=O)N3[C@H]2CO)cc1 95796912 HFXWOQOWUWFQKI-GSDOUFEMSA-N 380.463 3.030 0 1 GGAF COc1ccccc1C(=O)NC[C@]1(c2ccccc2)CC[C@H](OC(N)=O)CC1 253694828 YJNFRJDRKNHYSE-VVOJOOEHSA-N 382.460 3.401 0 1 GGAF CCCOc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ncn1 261070904 AAXOMRSCMWMWPO-HNAYVOBHSA-N 384.480 3.120 0 1 GGAF CCn1c(NC(C)C)nc2c([C@H]3CCN(C(=O)C(C)C)C3)csc2c1=O 299858221 DKNQUIGACLDKSQ-ZDUSSCGKSA-N 376.526 3.270 0 1 GGAF COC(=O)Cn1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587754044 KHSWMSMPLKEEBA-BTDLBPIBSA-N 381.245 3.186 0 1 GGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccnc(Cl)c4[nH]3)CC2)cc1 586955172 LYGWIKVOEOENOR-UHFFFAOYSA-N 390.896 3.488 0 1 GGAF Cc1nn(-c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c(C)c1Br 587648230 ADXRRBZJCSILHJ-UHFFFAOYSA-N 382.283 3.445 0 1 GGAF C[C@@]1(CCN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347240 UFKNKFHIDBUOMV-UNMCSNQZSA-N 385.435 3.371 0 1 GGAF COC(=O)[C@@H]1Cc2nc3cccc4c3c(c2[C@@H]1C(=O)OC)-c1ccccc1C4=O 587105871 BHAKUVJMBZFCKI-AUUYWEPGSA-N 387.391 3.048 0 1 GGAF CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@]21N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962626788 DESRBPOKRYTKJC-WTVLQJKYSA-N 397.393 3.405 0 1 GGAF Cc1nc(-c2ccc(F)cc2Cl)c2c(N3CCc4cnn(C)c4C3)ncnn12 169711755 ATOXRSRTUIGIRQ-UHFFFAOYSA-N 397.845 3.188 0 1 GGAF Nc1ncc(-c2cncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)cn1 205961734 JWCFGAIBSRSXPF-UHFFFAOYSA-N 375.310 3.272 0 1 GGAF Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1c[nH]c3ccccc13)C2 14740640 AYVLTZUSBGRVBA-UHFFFAOYSA-N 399.498 3.390 0 1 GGAF O=C(COc1ccccc1)NC[C@@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1 2356298961 MVTGINCYHOQNLE-GOSISDBHSA-N 397.862 3.298 0 1 GGAF O[C@](CN1CCOCC1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 26849346 FYLUUUHOKBDRMG-QHCPKHFHSA-N 378.447 3.456 0 1 GGAF CN1CC[C@@H](N(C)C(=O)CCCN(C)C(=O)c2ccc(-c3ccccc3)cc2)C1 28126365 QGNCKEQFETVNHZ-JOCHJYFZSA-N 393.531 3.368 0 1 GGAF CCCSc1nc(N(C)C)ccc1C(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 101550222 MEZAJLGYHJTWFV-IYYAYNBDSA-N 389.565 3.319 0 1 GGAF COc1ccccc1COC(=O)[C@H]1C=NN2c3cc(Cl)ccc3[N+]([O-])=N[C@@H]12 100930775 AQKFCEWRKDXGMK-SUMWQHHRSA-N 386.795 3.448 0 1 GGAF O=S(=O)(c1cccc(Cl)c1)c1c[nH]c2c(N3CCNCC3)cccc12 28526585 ROLMXIQSKFYWJD-UHFFFAOYSA-N 375.881 3.064 0 1 GGAF O=c1nc(N(Cc2ccccc2)Cc2ccccc2)ccn1[C@@H]1CC[C@@H](CO)O1 28219174 BYNTVUAKPALDHQ-UNMCSNQZSA-N 391.471 3.120 0 1 GGAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C 2356301180 XBOPOFMGWPIGHK-BDTNDASRSA-N 399.579 3.339 0 1 GGAF CC=C1CN2[C@H]3C[C@@]45C(=Nc6c4cc(OC)c(OC)c6OC)OC[C@@H]3[C@H]1C[C@@H]25 2356691467 KQEBWWUZXARNSU-SUVRPKNQSA-N 382.460 3.063 0 1 GGAF CC(C)N1CNc2c(Nc3cccc(Cl)c3)nc(N3CCC[C@@H]3CO)nc21 70719259 YQBHBIBYZJWYDE-OAHLLOKOSA-N 388.903 3.433 0 1 GGAF O=C(NC1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1)C1CC1 72185147 UJDHMXWMBARJNY-LJQANCHMSA-N 388.874 3.349 0 1 GGAF O=C(Nc1nc(CCO)cs1)N1CCC(c2noc3ccc(F)cc23)CC1 218632757 OCVIVUWYFLUDMZ-UHFFFAOYSA-N 390.440 3.370 0 1 GGAF COc1cc(CC[C@@H](O)C[C@@H](O)CCc2ccc(O)c(C)c2)cc(OC)c1O 238788605 YSEDKGANMFJHLV-ZWKOTPCHSA-N 390.476 3.101 0 1 GGAF CC(=O)O[C@H]1C[C@@H]2[C@@H](OC(C)=O)C3=C(C)[C@H](OC(C)=O)C[C@@]3([C@@H]1C)C2(C)C 257470990 LCYMMMXHRHJXJB-FQFVNUGJSA-N 378.465 3.184 0 1 GGAF endogenous,in-man Cc1ccn2c(C)cnc2c1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 473162944 XEIYOVTVZPHPMB-SQNIBIBYSA-N 376.460 3.418 0 1 GGAF CC[C@H](c1nc2cc(OC)ncc2[nH]1)n1cc(I)c(C)n1 587185095 PXHFEGGQHMIRPN-GFCCVEGCSA-N 397.220 3.075 0 1 GGAF CC(=O)N(C)c1cccc([C@@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 587386424 JDWAKJNFQBXCBS-JJNABOQBSA-N 393.487 3.496 0 1 GGAF COC(=O)C1=CN(C)C(C)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587761498 UWKFYKCUGYEQEO-YPMLDQLKSA-N 395.272 3.224 0 1 GGAF O=C1C[C@H](c2nc3cc4c(cc3[nH]2)OCCO4)CN1Cc1ccc(F)cc1F 587148664 JSTYNKZCVGQQLQ-LBPRGKRZSA-N 385.370 3.128 0 1 GGAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OCC(=O)O 587373454 DJKPLNDJRRUIGQ-HNNXBMFYSA-N 391.807 3.409 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cccc(F)c12 587571163 PLMNDDHEDUZOGX-UWJYYQICSA-N 377.327 3.341 0 1 GGAF COc1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1F 587276469 QKELYBVMBGDYNE-UHFFFAOYSA-N 380.169 3.461 0 1 GGAF COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)c(F)c3)ncc12 1772651934 DSOVNMTXJPFPEL-MRVPVSSYSA-N 390.350 3.297 0 1 GGAF O=C(O)C[C@](O)(CC(=O)CCCCCc1ccc(Cl)cc1Cl)C(=O)O 13758176 MQMYPPFSSSYPDG-QGZVFWFLSA-N 391.247 3.346 0 1 GGAF COc1cccc(Cc2cc(C)nn([C@H](C)C(=O)Nc3ccccc3F)c2=O)c1 1857557758 GMHZSFHYHDWZCT-OAHLLOKOSA-N 395.434 3.490 0 1 GGAF Cc1cccc(-c2nnc3ccc(N4CCN(C(=O)c5ccccc5)CC4)nn23)c1 1857585064 UPYOZLWVEBOJPB-UHFFFAOYSA-N 398.470 3.062 0 1 GGAF Cc1c(C(=O)N2CCCc3ccccc32)cnn1-c1nc(O)c2sccc2n1 1857603655 CHWZPFIGRMXNFM-UHFFFAOYSA-N 391.456 3.484 0 1 GGAF Cc1ccccc1C(=O)N1CCC(COc2cccc3nc(N)nc(N)c23)CC1 28971774 PORJHVFDTBXRCE-UHFFFAOYSA-N 391.475 3.034 0 1 GGAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)[C@@H](C(N)=O)C[C@]4(C)[C@H]3CC[C@]12C 118920050 NSRFUDBYSKPHCF-GUCIDVQISA-N 375.509 3.241 0 1 GGAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2cccnc2)O3)c1 61927668 RMOLLUDKTBPDDX-QFIPXVFZSA-N 388.427 3.434 0 3 GGAF CC(C)Oc1ccc(-c2nnc(-n3ncc4c3CCNC4)s2)cc1Cl 118088901 QDNXARUVGCWLCG-UHFFFAOYSA-N 375.885 3.477 0 1 GGAF C[C@]12CC[C@H](O)[C@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](Nc4ccccc41)C(=O)C[C@H]32 2356584829 UESFHRIHCVPQCD-RNANAIFGSA-N 383.488 3.360 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@@]2(O)C(=O)CO)C1 14818729 AMWUVEPYCFALOA-KKDHSZCASA-N 392.536 3.253 0 1 GGAF biogenic COc1cc2c(cc1OC)[C@]1(OC)Cc3ccc4c(c3[C@H]1N(C)CC2)OCO4 15219669 UGFHMCKKXOVCEA-FGZHOGPDSA-N 383.444 3.060 0 1 GGAF biogenic COc1cc([C@H]2CC(=O)c3c(cc(OC)c(OC)c3OC)O2)cc2c1OCO2 14436430 HTRVCOZULPJGLN-GFCCVEGCSA-N 388.372 3.156 0 1 GGAF biogenic COc1cccc(CNC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3c(=O)[nH]2)c1 40011865 NNLKQINFGFJMNL-MSOLQXFVSA-N 389.455 3.298 0 1 GGAF COc1cc(CNc2ncnc3c2ncn3[C@H]2CCCCO2)cc(OC)c1OC 40915727 XONLPTAWYDGGJH-MRXNPFEDSA-N 399.451 3.163 0 1 GGAF O=C(/C=C/c1cccnc1)NCc1ccc(S(=O)(=O)c2ccccc2)cc1 142508163 JBXNRNJAHZPSBF-JLHYYAGUSA-N 378.453 3.244 0 1 GGAF CCCC[C@@H]1[C@@H]2C[C@H]3[C@@H]4C(=C[C@H](CN31)O2)O/C(=C1/OC(=O)C(C)=C1OC)[C@H]4C 238755822 OWMYSJJZAWEDSL-KKFIABLWSA-N 387.476 3.256 0 1 GGAF COc1cc2c(cc1OC)[C@@]1(Cc3ccc4c(c3[C@H]1OC)OCO4)N(C)CC2 238758077 DZYSSFNYDTVPHM-FGZHOGPDSA-N 383.444 3.060 0 1 GGAF COc1cc(OC)c2c(=O)cc(CN3CCN(c4ccccc4)CC3)oc2c1 95572530 NNBJNYBKJKVMMM-UHFFFAOYSA-N 380.444 3.132 0 1 GGAF COc1ccc(CCCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1OC 587925357 NFADHZBHTULIHK-UHFFFAOYSA-N 376.434 3.002 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCCn4ccnc4)c1)[C@@H](C2)C3=O 587431036 LUVSWXCWFGSZDY-AVRDEDQJSA-N 376.412 3.459 0 1 GGAF COc1cc(Br)c([C@H](N)c2nc3c(Cl)ccnc3[nH]2)cc1OC 586974940 HGMWBXBIUDJSTJ-LBPRGKRZSA-N 397.660 3.439 0 1 GGAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)n1 587080136 RSVHJGYYXJAMLV-SNVBAGLBSA-N 381.889 3.301 0 1 GGAF COc1cccc2c1[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587799433 XCBOFTTYFVSDBW-YYSFKGJASA-N 391.240 3.327 0 1 GGAF COc1cc2c(cc1OC)[C@H](c1ccc(F)c(S(C)(=O)=O)c1)N(C)[C@H](C)C2 962568666 LDYPSABKURUGAI-ODXCJYRJSA-N 393.480 3.212 0 1 GGAF O[C@@H](CN1CCN(c2ccc(F)cc2)CC1)c1ccc(Br)cc1 209573797 NVJQBGMNXCVJKP-SFHVURJKSA-N 379.273 3.444 0 1 GGAF O=C(CNc1cc(Br)cc2[nH]ncc12)Nc1ccc(C(=O)O)cc1 1772596126 KDIPSXRFNXAMNI-UHFFFAOYSA-N 389.209 3.074 0 1 GGAF CN(C)c1c(Cc2cccc3ccccc23)cc(=O)n2c1SC[C@H]2C(=O)O 1857537548 BCEJXMPUFHXHBT-KRWDZBQOSA-N 380.469 3.390 0 1 GGAF C[C@H]1CN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n3n2)CCN1 144088298 VZNTWSMEJKWTBX-HNNXBMFYSA-N 388.450 3.396 0 1 GGAF COc1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)OCO3)c1 1379798 PYIRYWIMAFWKBJ-INIZCTEOSA-N 383.404 3.059 0 3 GGAF CN1C(=O)CSc2ccc(NC(=O)N3CCC(N4CCCCC4)CC3)cc21 4079566 GLAMRQHQNIRTNJ-UHFFFAOYSA-N 388.537 3.237 0 3 GGAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4216297 BFVXDSIVYSWWMQ-UHOSZYNNSA-N 391.537 3.499 0 1 GGAF CC(C)C[C@H]1C(=O)N[C@@H](C2CC2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 103265373 OCHIQHSAYQUTAY-MSOLQXFVSA-N 385.439 3.246 0 1 GGAF Clc1ccc2c(NCCN[C@H](c3ccccc3)c3nnn[nH]3)ccnc2c1 103233866 FIAQLPZHCYCUHM-GOSISDBHSA-N 379.855 3.192 0 1 GGAF Cc1cc(C)cc(NC(=O)Cc2ccc(O[C@]3(C(=O)O)CCO[C@@H]3C)cc2)c1 27524844 MIWBKCLSAKCDEU-OPAMFIHVSA-N 383.444 3.496 0 1 GGAF Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3Cl)c2n1 68206360 URVFJVXEAYRVCV-UHFFFAOYSA-N 388.218 3.261 0 1 GGAF C[C@]1(O)CCC[C@@H]2c3c(cc4oc(CO)cc(=O)c4c3OC3CCCC3)O[C@H]21 2356433867 XDMDSQDGVQLSAB-ZLUZWTFRSA-N 386.444 3.386 0 1 GGAF COc1ccccc1CCNC[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@]3(C)[C@H](O)[C@@H]21 504517464 XTTGKVUTQFWVDF-MDZYTNDOSA-N 399.531 3.112 0 1 GGAF biogenic Nc1ncc(-c2cncc(NS(=O)(=O)c3ccc4ccccc4c3)c2)cn1 73169145 CUIZRUBEOONHNU-UHFFFAOYSA-N 377.429 3.075 0 1 GGAF Cc1nc(C)c(-c2ccc3c(c2)CCC32CCC(C(=O)O)CC2)nc1C(N)=O 43206399 QZOAOSNSNYIGEZ-UHFFFAOYSA-N 379.460 3.318 0 1 GGAF Cc1cccc([C@H]2CNC[C@H]2C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)c1 49037713 SVBMNLGNCADSMP-IAGOWNOFSA-N 381.863 3.432 0 1 GGAF COCCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccco1 82142082 ADTZBADEJFVXOE-UHFFFAOYSA-N 394.475 3.466 0 1 GGAF Cc1c(Cc2cnn3c(O)cc(N4CCOCC4)nc23)cccc1C(F)(F)F 95583732 PIKZGRFUDYEWQW-UHFFFAOYSA-N 392.381 3.190 0 1 GGAF CN[C@H]1C[C@H]2c3cc(Oc4ccccc4C)ccc3CCN2C(=O)[C@H]1[C@H](C)O 95567225 RNLLLJUVLMHFQI-CUBKBFNLSA-N 380.488 3.202 0 3 GGAF COc1cccc(-c2cccc(-n3c(O)cc([C@@H](CC(=O)O)C(=O)O)c3O)c2)c1 587936389 COAQEBLXAQNSPI-QGZVFWFLSA-N 397.383 3.207 0 1 GGAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587079193 HJPCQVBUIJFBTC-LBPRGKRZSA-N 381.823 3.271 0 1 GGAF COC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587378019 LUQUVUMINAXGLJ-HXUWFJFHSA-N 387.819 3.224 0 1 GGAF CCOc1ccc(-c2nn(C(=O)C(C)(C)O)c(=O)c3ccccc23)cc1OCC 587671700 QQDRSLBGDVCAOH-UHFFFAOYSA-N 396.443 3.272 0 1 GGAF O=C1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 587610034 OQMWDCGXXZSBKV-UGKGYDQZSA-N 390.347 3.264 0 1 GGAF C[C@@]1(c2ccc(O)c(C(N)=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576785 IEAIIBQYFYAHNX-AVRDEDQJSA-N 391.379 3.074 0 1 GGAF COC(=O)COc1c(C)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C 587438207 DAKHDZFBQUINEO-ZHRRBRCNSA-N 382.412 3.353 0 1 GGAF CC(=O)Nc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575032 ACWVKNWFKIWFFE-GHTZIAJQSA-N 376.368 3.449 0 1 GGAF COc1cc(OC)c2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 587193712 FAHSLHYTHNXPCN-ZDUSSCGKSA-N 378.473 3.098 0 1 GGAF O=C(Cc1ccccc1)NCCc1nc2ccc(F)c(Br)c2[nH]1 587228158 HEZPEWYQFIKQAN-UHFFFAOYSA-N 376.229 3.366 0 1 GGAF CC(=O)SCc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O 587937776 NQXKEXJXHWNCLL-UHFFFAOYSA-N 384.413 3.428 0 1 GGAF COc1cccc([C@@]2(c3ccc(F)c(F)c3)NCCc3nc4ccccn4c32)n1 962998246 UAYDLPKRUDNOMW-JOCHJYFZSA-N 392.409 3.454 0 1 GGAF O=C(Nc1ccc2c(c1)CN(C(=O)/C=C/c1cccnc1)CC2)c1ccncc1 11820982 TUGAKTZMFUITEG-ZZXKWVIFSA-N 384.439 3.327 0 1 GGAF Cc1cc(C)n(CC(=O)N[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)n1 11933639 UXMBDCCKVYUUQS-FQEVSTJZSA-N 377.492 3.496 0 3 GGAF COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1F 13588357 VDICPBRPMLKVMM-UHFFFAOYSA-N 397.378 3.423 0 1 GGAF COc1ccccc1N1CCC(CNC[C@H]2COc3cccc(O)c3O2)CC1 13799857 CHBUDRVHEPFQKH-KRWDZBQOSA-N 384.476 3.047 0 1 GGAF CCCCC[C@H](C)NC(=O)C1=NO[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C1 13972716 JIKHYYKSXSXRDY-WCBMZHEXSA-N 378.313 3.072 0 1 GGAF NCc1cc(O[C@H]2CCCN(C(=O)Cc3ccccc3)C2)nc(C(F)(F)F)c1 1857553610 UCKHFQJIKQLJRT-INIZCTEOSA-N 393.409 3.172 0 1 GGAF C/C(=C/CN)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 1857749371 KDSKMOVNVSMORM-CWHOZVNYSA-N 376.548 3.381 0 1 GGAF CC[C@H](O)CC[C@H](C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O 2356355147 CBTSLSLFSWDSKP-IPMKNSEASA-N 396.480 3.138 0 1 GGAF COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 2487508 BZPLOTZWQZWRFC-FQEVSTJZSA-N 397.519 3.427 0 1 GGAF Nc1ccc(Cl)cc1S(=O)(=O)n1cccc1C(=O)OCc1ccccc1 6580127 UHFYWBAOQUDLCX-UHFFFAOYSA-N 390.848 3.318 0 1 GGAF COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)[C@@H]1c1cccs1 9432554 QIKYKESVZGYHBG-OALUTQOASA-N 384.501 3.298 0 1 GGAF COC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@@H]4CCC[C@]15c1cc[nH]c1C[C@]3(C)[C@@]245 2356292217 FCBMLMGOGOOCQL-XAKRMEESSA-N 383.488 3.187 0 1 GGAF CN1CCN(c2cccc(N(C)S(=O)(=O)c3ccc4ccccc4c3)c2)CC1 58581160 BMJBTCPPCWVRKS-UHFFFAOYSA-N 395.528 3.417 0 1 GGAF CCCCC[C@H](O)CC[C@]1(F)[C@@H](C/C=C\CCCC(=O)OC)[C@@H](O)C[C@H]1O 27979016 HQOJGQYUAGMIPU-SJRWKVPCSA-N 388.520 3.447 0 1 GGAF O=C(O)[C@@H]1Cc2ccccc2N1C(=O)CC[C@@H](CCc1ccccc1)C(=O)O 28263568 YDLSLXIGMPNXTQ-APWZRJJASA-N 381.428 3.143 0 1 GGAF CN(C)CCN1C(=O)c2cccc3cc(NC(=O)c4ccccc4)cc(c23)C1=O 28712240 XMCCBPATBHNXED-UHFFFAOYSA-N 387.439 3.250 0 1 GGAF O=c1nc(N(Cc2ccccc2)Cc2ccccc2)ccn1[C@H]1CC[C@H](CO)O1 28219189 BYNTVUAKPALDHQ-IFMALSPDSA-N 391.471 3.120 0 1 GGAF COc1cc([C@]23CNC[C@H]2C3)ccc1NS(=O)(=O)c1ccc(C(C)C)cc1 35309198 XIQZPYGWBQASSN-UTKZUKDTSA-N 386.517 3.480 0 1 GGAF CCN(CC)CCCNC1=N[C@H](c2ccccc2)C(C(=O)OC)=C(C)N1CC 72121969 WTFYOZSZGJNBKT-HXUWFJFHSA-N 386.540 3.188 0 1 GGAF O=C(O)c1cn(Cc2ccc(-c3ccc(F)cc3)nn2)c2c(F)cccc2c1=O 45338849 DBZJHXZVIPETSQ-UHFFFAOYSA-N 393.349 3.483 0 1 GGAF COCCN1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 1911582893 HGQQAJVSLKGUMR-SFHVURJKSA-N 375.266 3.439 0 1 GGAF CC(C)Oc1cc2c(-c3cc(N4C[C@H](C)N(C)[C@H](C)C4)ncn3)n[nH]c2cc1F 225564088 VLMYKGNGFOUOGV-OKILXGFUSA-N 398.486 3.475 0 1 GGAF COC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 82088108 VOHLRVDFNVBSCY-IBGZPJMESA-N 394.427 3.138 0 1 GGAF CCCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccc(F)cc1 95894632 CSSMSPNQBLKMRG-DYXWJJEUSA-N 397.450 3.333 0 1 GGAF COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(Cl)c2)nn1C(C)C 148071962 XSWZGJZZRIFXPL-UOIKSKOESA-N 375.904 3.053 0 1 GGAF COC(=O)Nc1nc2cc(S(=O)(=O)c3c(C)[nH]c4ccccc34)ccc2[nH]1 299831837 ZUYMXAASMUZXHB-UHFFFAOYSA-N 384.417 3.364 0 1 GGAF COc1cccc(-c2cc(O)n(-c3nc(N4CCCCC4)ncc3F)c2O)c1 587944708 IDEUJMAQMCOVQW-UHFFFAOYSA-N 384.411 3.484 0 1 GGAF O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccn2N1 587342018 YGDVYBHXBAGBIL-FPOVZHCZSA-N 378.359 3.061 0 1 GGAF N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCO3)c1ccc(Br)cc1F 587144902 QUBHBNLBIPOBCP-NSHDSACASA-N 378.201 3.436 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cnn(C)c2C)on1 587873168 WKSBQCNTAXCATJ-UHFFFAOYSA-N 395.394 3.473 0 1 GGAF COCC[C@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350008 QYZKNHBLSLKIGD-TZIWHRDSSA-N 388.391 3.229 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(c4cc(OC)c(OC)cc4C[C@@H]1N=O)[C@@H](C2)C3=O 587431195 ZKHAKBAZGRPYOR-XQAUZQBESA-N 381.384 3.046 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1c(C)nn(-c3ccccc3)c1C)O2 587389420 IBFTZMBRQVFEED-QFIPXVFZSA-N 391.427 3.325 0 1 GGAF C[C@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)N[C@H](C(=O)O)Cc1cccc(F)c12 962926584 XQZJNKSDJPBKOO-NRKGENKXSA-N 378.444 3.039 0 1 GGAF O=C([C@@H]1Cc2ccccc2[C@H](c2cccc(Cn3cncn3)c2)N1)C(F)(F)F 962703457 BWWIQHKEIMYJQI-ROUUACIJSA-N 386.377 3.062 0 1 GGAF CN(C)C[C@H](O)COc1ccc(Nc2nccc(Nc3ccccc3F)n2)cc1 13537938 FEEKGGYBLXCKCC-INIZCTEOSA-N 397.454 3.404 0 1 GGAF O=C1CC[C@H](COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)N1 13610376 RKSUNQHPGFRQHL-ZBCRRDGASA-N 389.459 3.204 0 1 GGAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N[C@H](CP(=O)(O)O)C(=O)O 13742382 WNJLAHFABBCSSD-PKZBUFLYSA-N 387.413 3.153 0 1 GGAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccccn3)c2)c2cncnc21 169707955 ROQIQCYIOCNQAV-UHFFFAOYSA-N 386.415 3.286 0 1 GGAF COc1ccc(-c2cnn(C(C)(C)C(=O)NCc3ccccn3)c2)cc1OC 205233334 JRXVAFQOZUHBIS-UHFFFAOYSA-N 380.448 3.014 0 3 GGAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N[C@@H]1CC(C)(C)N([O])C1(C)C)O2 205778415 OQGSSYOZSANNFX-ZHRRBRCNSA-N 389.516 3.494 0 1 GGAF Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc2nc(-c3cccnc3)nn2c1 1857589164 ZMHGIDSTAPEJMF-UHFFFAOYSA-N 375.436 3.075 0 1 GGAF COc1ccccc1C1=NN(C(=O)Cc2ccccc2)[C@](O)(C(F)(F)F)C1 1857750514 FCILCGWXRSVNTQ-GOSISDBHSA-N 378.350 3.125 0 1 GGAF COc1ccc2cc3[n+](cc2c1OC)[C@@H](CC(=O)O)Cc1cc2c(cc1-3)OCO2 200346758 GIKSNPXPDFTLQO-CQSZACIVSA-O 394.403 3.112 0 1 GGAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCN1CCOCC1 4212407 JAEUCIUVKHTYAA-LEWJYISDSA-N 387.524 3.149 0 1 GGAF Cc1ccc2oc(=O)c3cnn(CC(=O)Nc4cc(-c5ccccc5)n[nH]4)c3c2c1 4949728 FASQMSXXUZGPGN-UHFFFAOYSA-N 399.410 3.480 0 1 GGAF CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(S(=O)(=O)C(C)C)C3)cc1 101283336 BBQWCBJUROWTEH-IPELMVKDSA-N 394.537 3.251 0 1 GGAF O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)cc1 58563835 SEPMEKJITYIWGF-UHFFFAOYSA-N 398.894 3.050 0 3 GGAF COC(=O)C[C@H]1c2ccccc2N=C(N2CCN(C)CC2)N1C1CCCCC1 100881651 QTBHIJCMIXWSGR-FQEVSTJZSA-N 384.524 3.174 0 1 GGAF COc1cc2c(cc1C#CC(=O)O)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C 114801986 CDWGHAMSIVBETN-UHFFFAOYSA-N 384.391 3.355 0 1 GGAF C[C@@]1(CC=Cc2ccccc2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O 2356604867 JLWBRRAWPRZLAK-OFNKIYASSA-N 394.423 3.149 0 1 GGAF CO[C@@H]1OC(=O)[C@H](CC[C@@]2(C)[C@@H]3CCC=C(C(=O)O)[C@@]3(C)CC[C@H]2C)[C@@H]1O 2356812115 BSAZZVXOPHTIGQ-JRCQXGDJSA-N 380.481 3.137 0 1 GGAF O=C1c2ccccc2-n2nncc2[C@H]2c3cc(Br)ccc3CCN12 72104342 AOFVBEFXQYYTAU-QGZVFWFLSA-N 381.233 3.131 0 3 GGAF COc1ccc(CC[C@@H](C)N2C[C@@H](N)[C@@H](c3cn(C)c4cnccc34)C2)cc1 45337843 QQEKXFZDMYYJRD-NPFVIJTESA-N 378.520 3.330 0 1 GGAF CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)C(=O)C[C@H]1N1CCN(C)CC1 221705969 KZFJNAHBFGDYJK-GMKZXUHWSA-N 394.515 3.147 0 1 GGAF Cc1cnc(N)nc1-c1c[nH]c(C(=O)NCc2cccc(C(F)(F)F)c2)c1 89469231 OQAHXTWQAIIZLO-UHFFFAOYSA-N 375.354 3.311 0 1 GGAF CCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 82209836 CFXMMRCRZDPBNF-QZTJIDSGSA-N 376.497 3.376 0 1 GGAF COCCNc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2ccccc2)n1 82133554 QJVLHPBQZVNIPU-UHFFFAOYSA-N 394.450 3.314 0 1 GGAF CC(=O)NCCn1c(CC(C)(C)C)nc2c(NCc3ccc(C)cc3)ncnc21 82179410 OZCDHLGWXQWZEW-UHFFFAOYSA-N 394.523 3.472 0 1 GGAF COc1cc(-c2cc(=O)c3cc(OC)c(OC)c(OC)c3o2)cc(O)c1OC 148891249 HPVCEFBUAYZXJC-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF OCCN1CCN(c2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 473082198 GJEDYNSZFXRQPO-UHFFFAOYSA-N 383.883 3.141 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(F)ccc(F)c12 587573241 YLQQEPSVEVKQSU-IERDGZPVSA-N 395.317 3.480 0 1 GGAF Nc1ccnc2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc12 587231880 WSRRTBBSYNRZGM-UHFFFAOYSA-N 388.431 3.429 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(F)cc12 587735314 TWACISZTGFVMSC-QPFGOUBPSA-N 379.204 3.457 0 1 GGAF CN=c1[nH]c(SC)ncc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587848487 WQSVNQJDEOONMQ-RTHLEPHNSA-N 397.317 3.187 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CN1C(=O)CCC1=O)(c1ccccc1)CC2=O 587475808 MTUHNHPKPQZTHA-QHCPKHFHSA-N 393.439 3.354 0 1 GGAF COc1cncc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 586999462 BHVCQEOAVRSNOV-UHFFFAOYSA-N 388.177 3.208 0 1 GGAF CC[C@@H](O)[C@]1(CC)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963140973 JADCJGXZMMLLHK-AUSIDOKSSA-N 398.503 3.361 0 1 GGAF CCC(=O)Nc1cc(NC(=O)CSc2nc(C)c(CC)c(=O)[nH]2)ccc1C 5625516 AGYMOCDEOKZFJP-UHFFFAOYSA-N 388.493 3.028 0 1 GGAF CC1(C)SCN(CCCCN2CCN(c3ccc4ccccc4n3)CC2)C1=O 13759447 LQKJNLJPXWCMKZ-UHFFFAOYSA-N 398.576 3.449 0 1 GGAF CCCN1C(=O)[C@@H]2C=N[C@](c3ccccc3)(P(=O)(OCC)OCC)[C@H]2C1=O 1857606393 FLAZLPIQMXSVCP-GPMSIDNRSA-N 392.392 3.201 0 1 GGAF O=C1c2cccc3c(Br)ccc(c23)C(=O)N1[C@@H]1CN2CCC1CC2 3782122 HUKIGIDJWKOGKB-MRXNPFEDSA-N 385.261 3.293 0 1 GGAF COc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 4659929 SMIGNKQHTMRRFG-ILWKUFEGSA-N 388.423 3.259 0 1 GGAF Clc1ccc2c(NCCN[C@@H](c3ccccc3)c3nnn[nH]3)ccnc2c1 103233864 FIAQLPZHCYCUHM-SFHVURJKSA-N 379.855 3.192 0 1 GGAF CCOc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 28470750 KLUBMCIEPHWLGE-IDLUEMFASA-N 393.505 3.093 0 1 GGAF Clc1ccc2c(NCCCNc3nccc(N4CCNCC4)n3)ccnc2c1 103260194 XWGHNWNXGYNYBD-UHFFFAOYSA-N 397.914 3.002 0 1 GGAF CCC[C@H](CC1(C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)CCCC1)C(=O)O 58562937 DXFWFDIVNNUBBJ-ZACQAIPSSA-N 380.529 3.201 0 1 GGAF Cc1ccc(NC(=O)c2ncn(CCCN(C)CCc3ccccn3)n2)cc1C 61936029 WRTHPESAYQNSMH-UHFFFAOYSA-N 392.507 3.107 0 3 GGAF CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@@H](O)c2ccco2)CC1 27896162 MJBJZMMOGSPQBM-LJQANCHMSA-N 386.492 3.237 0 1 GGAF Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)N2CCOCC2)C1 8623992 GHBWAEOKPFUGGJ-WOJBJXKFSA-N 380.492 3.002 0 1 GGAF biogenic CC=CC=CC=CC(=O)O[C@@H]1C=C2CO[C@H](O)[C@]2(O)[C@]2(C)CCCC(C)(C)[C@H]12 2356764346 BIBMODCOJDZAGU-NCFYAPQQSA-N 388.504 3.439 0 1 GGAF CC(C)[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N21 26958745 AUQFEEAWGMJALA-URVUXULASA-N 387.483 3.359 0 1 GGAF CC(C)S(=O)(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72103665 QMPYVFGEBXUMLO-LJQANCHMSA-N 393.940 3.180 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc(C(=O)CN3CCCC3)cc1)C2 40379858 OFFNATWHYOYIBE-QFIPXVFZSA-N 395.455 3.169 0 1 GGAF COc1cc2c(cc1OC)[C@@]1(OC)C(=O)c3cc4ccoc4cc3O[C@H]1CO2 14450984 DGLSPEHHYIIOPE-FPOVZHCZSA-N 382.368 3.328 0 1 GGAF biogenic C[C@](N)(CO)C(=O)Nc1ccc(OCCc2ccc(Cl)c(Cl)c2)cc1 40914572 AOWRQUVQJYFQBE-SFHVURJKSA-N 383.275 3.263 0 1 GGAF CN(CC(=O)OCCc1ccccn1)C(=O)c1csc(-c2ccccc2)n1 82073986 LTGMGIKZOXLKKH-UHFFFAOYSA-N 381.457 3.063 0 1 GGAF O=C(C1CCCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 95864484 FHPYUOXHERBYNW-XOKHGSTOSA-N 379.298 3.315 0 1 GGAF Cc1ccc(S(=O)(=O)N[N+](=O)c2c(-c3cccs3)nn(C)c2C)cc1 377836347 YENUNVRHCBNMDS-UHFFFAOYSA-N 377.471 3.069 0 1 GGAF O=C(/C=C/c1ccc(F)cc1)O[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1Cc1ccccc1 299820562 DCAPXHVGTTUPFF-CWDXBIFSSA-N 382.387 3.076 0 1 GGAF COC(=O)c1cc2nc(-c3ccc([C@@H]4C[C@@H]4C(=O)OC)cc3)[nH]c2cc1OC 587783837 AWIJXZZGKZVZIY-KBPBESRZSA-N 380.400 3.302 0 1 GGAF COc1cc(OC)nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587771830 DJCJTXRFILOGIT-VXJOIVPMSA-N 382.233 3.019 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)OC(C)(C)C2)N1 587831282 HUHBQPNEXWILGB-XYZCENFISA-N 384.245 3.485 0 1 GGAF CCOC(=O)[C@@H]1CC[C@@]2(CO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587831329 IAUOMUQUZHBLOO-SVKFGRERSA-N 386.261 3.060 0 1 GGAF C[C@@]1(c2cccc(C(=O)O)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589296 ULCCBJMOXZIQLN-UWJYYQICSA-N 377.352 3.362 0 1 GGAF CCCN=c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 587568301 BIWQRCPNZXDJRF-XLIONFOSSA-N 377.400 3.129 0 1 GGAF C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1CCCO 587650860 VUFVDCXIHHRNRN-LBPRGKRZSA-N 396.509 3.082 0 1 GGAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cnnc(O)c4[nH]3)cc2F)c1 587144096 PGJKGAVCMCEXLS-UHFFFAOYSA-N 380.335 3.238 0 1 GGAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(C)nc(C)cc4[nH]3)c2)o1 586923200 GJGYTCXGTXZFQA-UHFFFAOYSA-N 397.460 3.161 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3n2C=CCC3=O)N1 587775587 SCBUHILPDVIDTJ-JDNHERCYSA-N 376.229 3.465 0 1 GGAF FC(F)(F)c1ncc2nc(C3CCN(c4nccnc4Cl)CC3)nc-2[nH]1 587084698 GTRPCLKTJAOCII-UHFFFAOYSA-N 383.765 3.151 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cccc(OCCn4ccnc4)c1)[C@@H](C2)C3=O 587431038 LUVSWXCWFGSZDY-PGRDOPGGSA-N 376.412 3.459 0 1 GGAF COc1cc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(OC)cc1SC 962898818 GASFAKIWZXLUJK-SCLBCKFNSA-N 377.437 3.253 0 1 GGAF COc1cccc2cc3c(nc12)[C@](C)(c1ccc2c(c1)NC(=O)[C@@H](C)O2)NCC3 963060346 SHFDNBLWKUZLNY-ZLOXQWCVSA-N 389.455 3.372 0 1 GGAF CCn1nc(C)c([C@]2(C)N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c1C 962630260 HSDMQNIOXMQYIR-ACJLOTCBSA-N 397.397 3.281 0 1 GGAF C[C@@]1(c2cccc(Br)n2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963233273 UDNQXCZGMDXXQC-DNVCBOLYSA-N 398.260 3.255 0 1 GGAF COc1ccc2c(c1)NC(=O)CN2c1nc(N2CCCC2)nc2ccccc12 1772570456 JLUIVICRFUCUPX-UHFFFAOYSA-N 375.432 3.329 0 1 GGAF Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCN2CCCCO2)c1C 11879258 CSCARUAVYJYBQZ-IBGZPJMESA-N 382.508 3.400 0 3 GGAF CC(C)NC(=O)c1onc(CSc2ccc(F)cc2)c1C(=O)NC(C)C 12726531 NNJBRJDVJCAONG-UHFFFAOYSA-N 379.457 3.382 0 3 GGAF O=C(O)CCC/C=C/C[C@@H]1[C@@H](CNCC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 169370250 QNVZKLNFWSYJGO-ATJLDBAISA-N 386.492 3.210 0 1 GGAF COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nn[nH]n2)c(F)c1 1857634441 KNJFWSWITBPBCO-UHFFFAOYSA-N 392.188 3.029 0 1 GGAF COc1ncc(-c2cc3c(c(-c4ccccn4)c2)COC3)cc1NS(C)(=O)=O 1857615981 UASMVAHIVSBGGV-UHFFFAOYSA-N 397.456 3.221 0 1 GGAF O=C(O)CCC=CCC=CC[C@H](O)C=CC=CC=C[C@@H](O)CC=CCCO 2356340550 RXZULUQRGUAOLG-LEWJYISDSA-N 376.493 3.463 0 1 GGAF CC[C@H](O)CC[C@@H](C[C@H](CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O 2356355142 CBTSLSLFSWDSKP-FHWLQOOXSA-N 396.480 3.138 0 1 GGAF Cc1ccc(C(=O)[C@H]2[C@H](c3cccs3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 6576928 UCMYEYOMPOHFNP-WWGRRREGSA-N 384.379 3.160 0 1 GGAF COc1ccc(NC(=O)CC23C[C@@H]4C[C@@H](C2)CC(n2nnc(C)n2)(C4)C3)cc1 101356874 NGMLOZILIZGRKX-RKAKKKFESA-N 381.480 3.314 0 1 GGAF CC(=O)N(C)[C@H]1C[C@@H](n2cnc(NC(=O)Cc3cccc4ccccc34)c2)C1 101634501 HLUQDCJXKVVBRH-WGSAOQKQSA-N 376.460 3.399 0 1 GGAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(OC(C)=O)[C@@H]2CC=C(C)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@@H]21 2356658238 LUDOQAPWTMIOHM-RAMXSFIASA-N 390.476 3.350 0 1 GGAF C[C@@H]1CCCC[C@@H]2C(=O)CC[C@H]3OC(C=CC=CC=CC(=O)O)=C(C(=O)O1)[C@H]23 2356677061 FXWZJHIHNQQRDJ-YZDADXEPSA-N 386.444 3.494 0 1 GGAF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2C[C@@H]2C2=C(COC2=O)[C@@H]1[C@H](C)CC=CC(C)(C)O 2356801247 QNTBFRRFWZRIKG-FUFIHVEWSA-N 376.493 3.417 0 1 GGAF COc1cc(Nc2[nH]c(=Nc3ccccc3)nnc2Cl)cc(OC)c1OC 1911580951 TZNXQMNZBZEDGQ-UHFFFAOYSA-N 387.827 3.460 0 1 GGAF CCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2N2CCCCC2)n[nH]1 38446303 SVWKMEHGONIHRT-UHFFFAOYSA-N 382.493 3.335 0 1 GGAF O=C(CO)Nc1ccc2ncn(Cc3cccc(-c4ccccc4)c3)c(=O)c2c1 40878673 SRCWQMIQDMSABI-UHFFFAOYSA-N 385.423 3.043 0 1 GGAF O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1 49073376 FOAIHZWTVRCBAT-UHFFFAOYSA-N 396.878 3.490 0 1 GGAF CC(C)Oc1cc2c(-c3cc(N4C[C@H](F)[C@@H](F)C4)ncn3)n[nH]c2cc1F 221265421 IMJURGWCWXFRFC-STQMWFEESA-N 377.370 3.442 0 1 GGAF CCOC(=O)CCn1c2ccccc2c2cc(C(=O)N3CCN(C)CC3)ccc21 96938387 WWYFMEJNUXXSGI-UHFFFAOYSA-N 393.487 3.135 0 1 GGAF Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)O 587575190 DCMAMTYRWTUICB-UWJYYQICSA-N 379.368 3.306 0 1 GGAF CCn1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cn1 587656265 IIXOEIHHAXZRCK-UHFFFAOYSA-N 380.354 3.247 0 1 GGAF CCOC(=O)CNc1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 587227796 XVTPFVVENYMYOE-UHFFFAOYSA-N 375.226 3.362 0 1 GGAF CCN(CC)C(=O)COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587431046 YFMWRJAIIYHHQR-JPYJTQIMSA-N 395.455 3.431 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346499 JEJIWHBIMUCQCB-GHTZIAJQSA-N 386.375 3.171 0 1 GGAF COc1cccc2nc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]c12 586955786 VJOJWDDWXPWCSX-UHFFFAOYSA-N 385.489 3.448 0 1 GGAF NS(=O)(=O)c1cccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc12 587247151 ICGRHNNFAYEOIO-UHFFFAOYSA-N 392.440 3.130 0 1 GGAF CCOC(=O)c1cnn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12 587522207 DGZIMCKMMBFEDX-LJQANCHMSA-N 391.427 3.491 0 1 GGAF O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@H]1CC[C@H](c2ccccc2)C1 169704974 FXMUKCRGKDOSMF-WMZOPIPTSA-N 394.475 3.484 0 1 GGAF O=C1NC[C@@H](c2cc3cc(Br)ccc3[nH]c2=O)Nc2ccccc21 1857749986 FEOZKSBLVAORLS-INIZCTEOSA-N 384.233 3.187 0 1 GGAF O=C(c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCSCC1 866698 QXOACJBLXRBMNS-DGCLKSJQSA-N 386.399 3.325 0 1 GGAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)[C@H](c2ccc4c(c2O)OCO4)CO3)O1 2356333766 VRSWDWNMAMDGTG-LBPRGKRZSA-N 382.368 3.370 0 1 GGAF O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl 4310385 SMFPZNYICPEUBM-RDJZCZTQSA-N 397.233 3.333 0 1 GGAF C[C@@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C2CCC(F)(F)CC2)CC1 117374444 HIVSCMNNQFXGAK-CYBMUJFWSA-N 391.462 3.345 0 1 GGAF CC(=O)c1cc(C)ccc1OC[C@H](O)CN1CCN(c2ccccc2C)CC1 28635906 KOOOVULVDNTNLZ-HXUWFJFHSA-N 382.504 3.068 0 1 GGAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc2C1)c1ccccc1 2356298083 SGNQDVJRDGBDAL-JRFVFWCSSA-N 389.543 3.185 0 1 GGAF FC(F)(F)c1ccc2[nH]c(N3CCN(c4ncncc4Cl)CC3)nc2c1 38157620 RAIKWNSIBLSTAE-UHFFFAOYSA-N 382.777 3.352 0 1 GGAF COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc(Cl)cc2)c1=O 25230580 MFUADYULUSSABL-ZBFHGGJFSA-N 386.879 3.151 0 1 GGAF biogenic CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C)c4)cc3)[C@H]2C1 95874587 DMSQNCBXUTXOTC-SMIHKQSGSA-N 378.516 3.433 0 1 GGAF CCOC(=O)[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585580 DRRQCRQLAYJGFD-XMSQKQJNSA-N 391.379 3.207 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1nnn(Cc4ccccc4)c1C)[C@@H](C2)C3=O 587435584 GRFXPBYLPWGQCR-JTSKRJEESA-N 375.428 3.306 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(Br)c(C)cc21 587370282 DMJUPBFDOCGZDR-SFHVURJKSA-N 387.233 3.461 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(OC(F)(F)F)cc21 587381870 IGHRBOMRIACTPX-QGZVFWFLSA-N 378.306 3.289 0 1 GGAF COc1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2c1 586936837 NTRGLKDVLYWOAV-INIZCTEOSA-N 391.518 3.344 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(N3CCN(C)CC3)s1)CC2=O 587494264 JQDMKQPXWCSOOI-QGZVFWFLSA-N 387.505 3.260 0 1 GGAF CN(C)C(=O)c1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 587132134 KRENYLJGJQNAJZ-LBPRGKRZSA-N 394.422 3.234 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnn2-c2ncccn2)N1 587757929 IAMJYMXOSIDECW-QFYYESIMSA-N 388.244 3.188 0 1 GGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccc(OC)c(OC)c1C(=O)O 963583911 RSNMBHVPWQSLPF-WYRIXSBYSA-N 387.432 3.043 0 1 GGAF CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12NCCc1c2c(C(C)C)nn1C 962925260 YLOWMCRWWGMTLA-SPLOXXLWSA-N 390.528 3.078 0 1 GGAF CCn1cc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cn1 12053684 ODPCWXYVZAIHEF-UHFFFAOYSA-N 396.470 3.328 0 3 GGAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 169300733 AGWNTSAXKRGTBH-UXVJURNBSA-N 378.472 3.307 0 1 GGAF O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cn1cnc2ccccc21 103173796 UTQMTYYFMRHAOD-UHFFFAOYSA-N 382.423 3.489 0 1 GGAF CC(C)(C)NC(=O)C1=CNN2C1=N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F 104035753 UHUAZYWGILTPFY-UONOGXRCSA-N 384.377 3.219 0 3 GGAF Cc1c(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc2n1CCCN 29125879 OBKTYSREGIOXRM-UHFFFAOYSA-N 398.466 3.347 0 1 GGAF CCc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1 53074262 VAIWZWZRCSJKTP-UHFFFAOYSA-N 394.563 3.422 0 1 GGAF CC=C(C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(C)=O 2356520217 FFCDTHIJWHJUQJ-OALUTQOASA-N 386.400 3.446 0 1 GGAF COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)[C@@H](C(C)C)n1cccc1 2356763455 JTNWNFZKDCSZLZ-PCCBWWKXSA-N 375.557 3.425 0 1 GGAF O=C(NCCc1ccc(O)c(Br)c1)C(=O)c1c[nH]c2ccccc12 6117643 PLHPHTZTHRMJEP-UHFFFAOYSA-N 387.233 3.178 0 1 GGAF biogenic Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)CN)C3)cc1 72108912 BZDHEWHVYUHAFX-UHFFFAOYSA-N 379.439 3.042 0 1 GGAF COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1OP(=O)(O)O 33989420 IKCXMPINYYXYTR-ARJAWSKDSA-N 380.289 3.074 0 1 GGAF O=C(NCc1ccccc1)C1(C[C@@H]2CC(c3ccccc3)=NO2)CCNCC1 36387807 XJARTINDESFDIM-FQEVSTJZSA-N 377.488 3.256 0 3 GGAF CNC(=O)c1ccc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)nc1 221744649 GAXJBQGARSBXJQ-UHFFFAOYSA-N 376.420 3.460 0 1 GGAF CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 40847127 IDFHLDRTPQHTBX-QZTJIDSGSA-N 396.487 3.300 0 1 GGAF COc1cccc(-c2csc(N[C@@H](Cc3c[nH]cn3)C(=O)NC(C)C)n2)c1 82192144 DNQTZNZIEUZLNG-INIZCTEOSA-N 385.493 3.090 0 1 GGAF Cn1nc(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2)c2c(N)ncnc21 230565740 UTBASKFWISCGRG-UHFFFAOYSA-N 392.850 3.447 0 1 GGAF COc1cccc(NC(=O)N2[C@@H](CO)[C@@H](c3ccccc3)[C@@H]2CNCC(C)C)c1 95895977 YWPBOLYUOYTFKH-FKBYEOEOSA-N 397.519 3.302 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)N(C)C)[nH]2)N1 587789836 GCNOEUXBZSNTHM-FVMDXXJSSA-N 380.261 3.242 0 1 GGAF C[C@@H](N=c1[nH]c2ccccc2s1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587654639 WXKPURRMNIMKGC-SNVBAGLBSA-N 384.848 3.222 0 1 GGAF CCN(CC)c1ccc2c(c1)OC(=O)C[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429186 OOXXMSMCYZXCNF-UZUQRXQVSA-N 393.439 3.493 0 1 GGAF COC(=O)c1cc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cn1 587168539 YVEHUEHLNXBTSG-MRXNPFEDSA-N 383.383 3.253 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(O[C@H](C)C(=O)O)c(OC)c1)[C@@H](C2)C3=O 587441934 VNPHNGGOUXDBEW-UHMLPPNMSA-N 384.384 3.044 0 1 GGAF COc1ccc2c(c1OC)[C@]1(c3ccccc3C(=O)[C@@H]1C(C)=O)N(C)[C@H](C)C2 962632635 UJGUGWIADJNQPP-DEWVYBRMSA-N 379.456 3.225 0 1 GGAF CCOC(=O)C[C@]1(c2cc(F)c(F)c(F)c2F)NCCc2c(C)ccnc21 963071044 IXKLCLUSDNDEIC-LJQANCHMSA-N 382.357 3.289 0 1 GGAF C[C@]1(CC(=O)c2ccccc2O)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963236951 SWZLBAPDNVEVCU-XMSQKQJNSA-N 376.412 3.028 0 1 GGAF CCOC(=O)[C@]1(c2cccs2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962707194 IECMAJUMWFJWJP-DYVFJYSZSA-N 383.391 3.201 0 1 GGAF COc1ccc(OC)c(CCNC(=S)Nc2ccc(Br)cn2)c1 584112 GNLVRKKIIIVZHZ-UHFFFAOYSA-N 396.310 3.390 0 1 GGAF in-vivo O=C(NCCCO)c1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1 13648374 CQKZPPUFUROCPO-UHFFFAOYSA-N 383.839 3.048 0 1 GGAF COc1ccc(Oc2ncc3nc(C)c(=O)n(-c4ccc(OC)cc4)c3n2)cc1 4238436 FLUBPBXFBQZLDR-UHFFFAOYSA-N 390.399 3.294 0 1 GGAF CC(C)(C(=O)NCCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cn1 1857571154 DFSRTNFKKNTUEQ-UHFFFAOYSA-N 380.897 3.036 0 1 GGAF COc1ccc(/C=C(\C)S(=O)(=O)c2cc(OC)c(OC)c(OC)c2)cc1O 1857649626 ZQKZBCFZOOCOIB-XYOKQWHBSA-N 394.445 3.261 0 1 GGAF Nc1nc(Cl)c(N)c(NCC2(CO)CC(CCCc3ccccc3)C2)n1 1485738 TWJDHFMNEKONPN-UHFFFAOYSA-N 375.904 3.118 0 1 GGAF Oc1nc2c(c3nc(-c4ccccc4F)cn13)CN(Cc1ccncc1)CC2 100048503 BERJRHQIPAWMTI-UHFFFAOYSA-N 375.407 3.194 0 1 GGAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(OC)cc1OC 104116479 QPILFRBXNHTUIX-HVESIFNPSA-N 387.440 3.362 0 1 GGAF COc1ccc(-c2cc(-c3ccc(O)cc3)nc(N3CCN(C)CC3)n2)cc1 28528672 KPDDEOPHKITGNF-UHFFFAOYSA-N 376.460 3.277 0 1 GGAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)NCCC(F)(F)F)O3)cc1 61926112 GFWDNCMXAVFZQP-INIZCTEOSA-N 393.365 3.079 0 3 GGAF Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3cc(F)cc(F)c3)cc12 38331631 AWHJVFRHVNXXDF-UHFFFAOYSA-N 388.326 3.134 0 1 GGAF CC(=O)O[C@@H]1C=C2C(=O)OC[C@]23CC[C@H](C)[C@](C)(CCC2=CCOC2=O)[C@H]3C1 14446264 YRAFYYCSVNYHPY-UJVMCPMHSA-N 388.460 3.107 0 1 GGAF biogenic C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@@]43C)[C@@H]1CCC2=O 40440236 HMABERXDSMXWFO-PJOLERSMSA-N 390.549 3.217 0 1 GGAF COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCC(F)(F)C4)ncn3)c2c1 225559439 GIWJCKRVKGJXLB-LBPRGKRZSA-N 389.406 3.279 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5ccncc54)ccc31)[C@H]1CC[C@@H](C2)N1 96175245 VBADCNLCNDVGHG-WMLDXEAASA-N 392.484 3.114 0 1 GGAF CNc1ccn2ncc(C(=O)Nc3cc(C)nn3-c3cccc(Cl)c3)c2n1 95578641 GRKVHVFMHBOEFZ-UHFFFAOYSA-N 381.827 3.171 0 1 GGAF CCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)Nc3cccc(Cl)c3)C[C@H]21 95893998 QPNBZJWQHUKIQO-GGPKGHCWSA-N 399.878 3.457 0 1 GGAF CN(C(=O)Cn1c(=O)n2c3c(cc(-c4cccnc4)cc31)CCC2)c1ccccc1 95588630 GSCJKQQNISIDLP-UHFFFAOYSA-N 398.466 3.474 0 1 GGAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(C(=N)N)cc4[nH]3)c2)c1 587232371 RSGYNJZNJAFIJG-UHFFFAOYSA-N 383.455 3.464 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(NN)n1 587865749 HOFDZMTYUMLLGI-UHFFFAOYSA-N 391.353 3.337 0 1 GGAF CCOc1cc(/C=C\c2nc3c(O)ncnc3[nH]2)cc(Br)c1OC 586976962 DENHCYXKEIOJGY-PLNGDYQASA-N 391.225 3.399 0 1 GGAF CC(=O)N[C@@H](Cc1nc2cnc(Cl)[nH]c-2n1)c1ccc(Br)cc1 586984741 IKOOPKGOWDVUHW-NSHDSACASA-N 394.660 3.140 0 1 GGAF COC(=O)c1cc(Br)c2[nH]c(-c3c(N)cccc3C(=O)O)nc2c1 587248823 XHAMVRGROBYSMX-UHFFFAOYSA-N 390.193 3.059 0 1 GGAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587773887 RWCADXQQLUPVJK-XXFAHNHDSA-N 379.229 3.393 0 1 GGAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cnncc4[nH]3)c2)cc1 586931580 YUSURGJYGIQOIR-UHFFFAOYSA-N 379.445 3.153 0 1 GGAF CN=c1[nH]c(SC)ncc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587848486 WQSVNQJDEOONMQ-RMLUDKJBSA-N 397.317 3.187 0 1 GGAF COC(=O)[C@H](C)[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445240 ZXTNADTYNFLKJY-DGIMUSOZSA-N 382.412 3.156 0 1 GGAF C[C@H](CC(=O)O)[C@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962891547 BZVJXJYHJZDEDB-CGQHOMIXSA-N 391.826 3.432 0 1 GGAF O=C(Nc1ccccc1)c1cc2n(n1)CCCN(C(=O)c1occ3c1CCC3)C2 1772601808 ZLPGEAMHRNPZJZ-UHFFFAOYSA-N 390.443 3.263 0 1 GGAF O=C(O)c1ccc([C@@H](CO)Nc2cc(Br)cc3[nH]ncc23)cc1 1772654352 VUTVNXQZJTXFKK-OAHLLOKOSA-N 376.210 3.169 0 1 GGAF CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2Cl)ncc1Cl 169705079 TWXDTEAEJDFOLD-UHFFFAOYSA-N 382.251 3.041 0 1 GGAF NCC[C@H]1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1 205264548 FDUVDOYSKNJROE-HNNXBMFYSA-N 385.475 3.257 0 1 GGAF c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@H]3CN4CCC3CC4)O2)cc1 1857638541 HTYJHPPHBQRXGX-GOTSBHOMSA-N 379.500 3.456 0 1 GGAF C[C@@H]1C(=O)N(C)c2ccc(C(=O)N3CCc4cc(F)ccc43)cc2N1C1CC1 1857762699 XPFIWQGXXSLATO-CYBMUJFWSA-N 379.435 3.362 0 1 GGAF O=C(NCCCN1CCCC1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 4049236 QTJUSMKEXAMINW-AZUAARDMSA-N 383.517 3.442 0 1 GGAF CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C 4369697 AAPZMQVULRVUEU-SBEQFTEYSA-N 398.499 3.324 0 1 GGAF C[C@@H](OC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2)C(=O)Nc1ccc(N2CCOCC2)cc1 101686965 HRONWSQSJGBSHP-TVFCKZIOSA-N 386.492 3.220 0 1 GGAF COc1ccc(C2=NN(CCCCN(C)C)C(=O)[C@H]3CCCC[C@@H]23)cc1OC 26571194 ZFPQQBRXDLRJDH-MSOLQXFVSA-N 387.524 3.398 0 1 GGAF COc1ccc(-c2nnc(COc3cc(=O)oc4ccccc34)[nH]2)cc1OC 103222069 VYAQQMCVZBYEMG-UHFFFAOYSA-N 379.372 3.174 0 1 GGAF CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCN(Cc2ccccc2)CC1 20465341 LFYWIDGWAQXWMM-UHFFFAOYSA-N 395.528 3.286 0 1 GGAF CC(=CC(=O)OC[C@H](O)CO)CC[C@]1(C)[C@H](C)[C@H](O)C[C@@]2(C)C(C)=CCC[C@@H]12 2356396160 CDDTUFYDAJIDKP-NGJIECEZSA-N 394.552 3.379 0 1 GGAF CN(C)CCNC(=O)[C@@]1(C)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61897072 SLEVBLQZPQMSSP-LJQANCHMSA-N 393.409 3.139 0 3 GGAF CCCCOC(=O)c1c(N)cccc1C=C[C@@H](O)[C@H](C)OC(=O)c1ccco1 2356608424 OQSXRPBCVKZSHQ-WMLDXEAASA-N 387.432 3.438 0 1 GGAF COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(F)c2)CC1 29553372 SGPIOIZKEAONKU-UHFFFAOYSA-N 397.494 3.326 0 1 GGAF C[C@@H]1CCCC[C@@H]2C(=O)CC[C@@H]3OC(C=CC=CC=CC(=O)O)=C(C(=O)O1)[C@@H]32 2356677059 FXWZJHIHNQQRDJ-DZJHOTPTSA-N 386.444 3.494 0 1 GGAF Cc1ccc(Cl)cc1-c1cc(C(=O)N2CCN(c3ccncc3)CC2)[nH]n1 61907574 VKANOGILPWHHNC-UHFFFAOYSA-N 381.867 3.396 0 3 GGAF Nc1ccccc1NC(=O)c1cnc2c(C3CC3)c(N3CCNCC3)ccc2c1 212352708 XIBXJQDDCQGVQI-UHFFFAOYSA-N 387.487 3.356 0 1 GGAF O=C(NCCCCN1C[C@H]2CC[C@H]1C2)c1ccc(I)cc1 137813229 FLTWPLPSPPBJFQ-BBRMVZONSA-N 398.288 3.286 0 1 GGAF O=C(NCc1ccco1)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 82081247 WTZGOASYUNJCQJ-CYBMUJFWSA-N 385.445 3.165 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3(O)[C@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@]23O)C1 85945838 DBQCBBBEPAOTHW-JZMXJYMNSA-N 390.520 3.316 0 1 GGAF CN1CC[C@]23Cc4nc5cccc(F)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 95558741 XWCKVNXAIDYQAF-WXFUMESZSA-N 390.458 3.107 0 1 GGAF CCCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1 95893667 AQFYNPWOHOJEDY-DYXWJJEUSA-N 379.460 3.194 0 1 GGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H](C)CN(C)C)c1 299884487 TWMYJPKVTQAECK-CNDZOEFASA-N 395.503 3.243 0 1 GGAF CN(C)c1cccc(-c2cccc3cc(C(=O)N[C@H]4CN5CCC4CC5)cn23)c1 653729330 QNXQZZWWBPUBRP-QFIPXVFZSA-N 388.515 3.496 0 1 GGAF COC(=O)[C@H](C)[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445246 ZXTNADTYNFLKJY-UZWKXWHHSA-N 382.412 3.156 0 1 GGAF COc1ccc2c(c1)CC[C@@](N)(c1nc3c(F)cnc(Br)c3[nH]1)C2 587247462 SECSNQSFSAYYMV-KRWDZBQOSA-N 391.244 3.211 0 1 GGAF Cc1cc(Br)c2nc(-c3ccc(S(=O)(=O)N(C)C)o3)[nH]c2c1 586931881 ODNPJKWWQJEPGV-UHFFFAOYSA-N 384.255 3.144 0 1 GGAF COC(=O)C[C@]1(c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587776444 CSOCQOPOFHZSCU-ADLMAVQZSA-N 393.256 3.324 0 1 GGAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 586973585 PNOHKAOYAIIBPM-KRWDZBQOSA-N 381.461 3.255 0 1 GGAF COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccncc1 587623269 CRQGMOXKECLOQE-UHFFFAOYSA-N 399.204 3.219 0 1 GGAF CC(=O)[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)[C@@H]1CCC(=O)N1 586989677 OKSSWOYYPDFGKK-YWZLYKJASA-N 386.407 3.103 0 1 GGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(Br)cc2[nH]1 587231246 NAFDGLJLFXJLLB-CHWSQXEVSA-N 380.286 3.362 0 1 GGAF CNc1nc(CCc2ccccc2NC(C)=O)nc2sc(C(=O)O)c(C)c12 1772618718 VLUWJWFLQVKAQD-UHFFFAOYSA-N 384.461 3.483 0 1 GGAF CCCNC(=O)c1onc(CSc2ccc(F)cc2)c1C(=O)NC(C)C 12726538 CZTLZEJAGOAKON-UHFFFAOYSA-N 379.457 3.384 0 3 GGAF CC/C=C\C[C@H](O)/C=C/C=C/C=C/C=C/[C@@H](O)[C@@H](O)C/C=C\CCC(=O)O 169290394 OIWTWACQMDFHJG-AFAQKZQDSA-N 376.493 3.461 0 1 GGAF O=C(C[C@@H]1CCOC1)NCCc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 165840111 KOYHSOMKHOPSPM-SFHVURJKSA-N 393.487 3.320 0 1 GGAF COCC(C)(C)CNC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 167890992 RKHCRBYXGFGAHA-UHFFFAOYSA-N 382.464 3.032 0 1 GGAF COc1cc(OC)cc(N(CCN)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1 204168037 YPSGPGKTXWJQKA-UHFFFAOYSA-N 390.447 3.134 0 1 GGAF O=C(Nc1ccccc1Cl)NC1(C(=O)NC[C@H]2CCCO2)CCCCC1 4982043 RBGDSOAQMMEQQE-CQSZACIVSA-N 379.888 3.460 0 3 GGAF O=C1NC[C@H](c2cc3cc(Br)ccc3[nH]c2=O)Nc2ccccc21 1857749987 FEOZKSBLVAORLS-MRXNPFEDSA-N 384.233 3.187 0 1 GGAF CCCCCC[C@@H](C(=O)O)n1cnc(NC(=O)c2cccc(O)c2C(=O)O)c1 1552309 DNVWFUABLSEXTM-ZDUSSCGKSA-N 389.408 3.135 0 1 GGAF CN(C(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)C1CCCCC1 3014845 FBGWVNGNKQBDDE-FYXYJPLOSA-N 378.472 3.403 0 1 GGAF CC1(C)CCC(N2C(=O)[C@@H]3CS[C@]4(C(=O)Nc5ccccc54)N3C2=O)CC1 66252342 DUCHYWISMULQID-MGPUTAFESA-N 385.489 3.140 0 1 GGAF Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@@H]2COc3ccccc3O2)CC1 27887777 YICUZQYJOMEAKO-QGZVFWFLSA-N 379.460 3.115 0 1 GGAF O=C(NCc1cccnc1)c1cc([C@H]2CCCCN2C(=O)c2ccccc2)on1 61898565 GMQQCYBDDIHPSP-LJQANCHMSA-N 390.443 3.367 0 3 GGAF CCNC(=O)N1CC[C@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1 28896479 WUFVFWHZRSJNAV-LBPRGKRZSA-N 384.871 3.494 0 1 GGAF CCCCn1c(=O)[nH]c2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccc2c1=O 40972834 MLRPTMQFKQABQS-UHFFFAOYSA-N 391.471 3.358 0 1 GGAF CCCN1CCc2c(sc(N)c2C(=O)c2cc(OC)c(OC)c(OC)c2)C1 40974628 LEJLLKVFMAJRLG-UHFFFAOYSA-N 390.505 3.355 0 1 GGAF CCOC(=O)CO[C@H](Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1 40407014 PFGBBZZZWKFPPW-QGZVFWFLSA-N 386.839 3.315 0 1 GGAF CCC(=O)N(C)C[C@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(C)=O 95895708 MLEPPOVHFJCJLS-XJUOHMSHSA-N 384.520 3.188 0 1 GGAF O=c1cc(O)n(CCc2cccc(C(F)(F)F)c2)c(=O)n1[C@H]1C[C@H]2CC[C@@H]1C2 96270086 KNVCJPJDROZVBB-LZWOXQAQSA-N 394.393 3.338 0 1 GGAF CCOC(=O)C[C@]1(C)Oc2ccccc2N1S(=O)(=O)c1ccc(C)cc1 95570547 NAIFWFZHKTYMRC-IBGZPJMESA-N 375.446 3.252 0 3 GGAF O=C1CC[C@@H](C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)NN1 618013576 ZNYCRVDILKUOAF-VIFPVBQESA-N 390.515 3.322 0 1 GGAF COc1ccc2c(c1)C(=O)O[C@@H](CCCSc1nnnn1-c1ccccc1)C2 653711598 WNGZWKJSZXRJAN-KRWDZBQOSA-N 396.472 3.325 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccc(Br)cc1)O2 587372728 QYXRDNDDNZJGNT-KRWDZBQOSA-N 376.206 3.285 0 1 GGAF COc1ccc(C)cc1C(=O)CCc1nc2nc(Br)c[nH]c-2n1 587787362 OPTABCYVOLXKJB-UHFFFAOYSA-N 375.226 3.200 0 1 GGAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccnc2[nH]1 586938016 TZSNMXYTBGIJMO-HNNXBMFYSA-N 390.534 3.347 0 1 GGAF COc1cc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2cc1C 587203743 SQYRIASMPCXLAU-INIZCTEOSA-N 383.404 3.322 0 1 GGAF NS(=O)(=O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587196445 SVGIYCFUHBYFKQ-UHFFFAOYSA-N 392.484 3.417 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(O)ccc12 587791105 IFXFBKTYTXWWIX-WNWIJWBNSA-N 377.213 3.024 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCC(=O)N3CCCC3)cc1)O2 587396517 UBFFUWRSAYYRAD-HSZRJFAPSA-N 394.471 3.459 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(Cl)nc1N1CCOCC1)[C@@H](C2)C3=O 587421458 MMELLWKDBAECTR-IFXJQAMLSA-N 386.835 3.069 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2ccc(=O)n3C)N1 587769097 NHJZWYAWYOUYBY-NSPYISDASA-N 391.284 3.401 0 1 GGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(C(=O)N(C)C)ccc3[nH]2)cc1 586950335 FQIVBMIXAYSQQK-UHFFFAOYSA-N 386.477 3.082 0 1 GGAF O=C(O)c1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587609684 OXPNMTWUFKIXNH-FXAWDEMLSA-N 378.336 3.499 0 1 GGAF CS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587607387 METRAAAFKDFCKM-NQIIRXRSSA-N 396.420 3.499 0 1 GGAF CCOC(=O)[C@]1(c2cccs2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962707197 IECMAJUMWFJWJP-GUYCJALGSA-N 383.391 3.201 0 1 GGAF CC(C)(C)OC(=O)N[C@@H]1COc2ccccc2[C@@]12NCCc1ccc(O)cc12 963354360 WTSRNXRYPYTYLQ-KNQAVFIVSA-N 382.460 3.067 0 1 GGAF CNC(=O)c1ccc(F)cc1[C@@H](C)Oc1cc(-c2cn(C)nc2C)cnc1N 169352666 WKWCRLSGXLINPN-GFCCVEGCSA-N 383.427 3.011 0 1 GGAF COc1ccc([C@@H]2[C@@H](C(=O)N3CCCC3)CC(=O)N2C(=O)c2ccccc2)cc1 206025382 NVZPAXWNFWTYDG-PZJWPPBQSA-N 392.455 3.048 0 3 GGAF COc1ccc2nc([C@H]3C[C@H]3c3cc(-n4nc(C)nc4C)nc(C)n3)[nH]c2c1 205282949 XOBZSGZRUIINSE-CABCVRRESA-N 375.436 3.139 0 1 GGAF COc1ccc(/C=C/S(=O)(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 1857650057 VUFYFXLDGMAOGK-CMDGGOBGSA-N 394.445 3.174 0 1 GGAF N[C@@H](Cc1ccc(OCc2ccccc2)cc1)[C@H](O)C(=O)OCc1ccccc1 600701 OBQBEAAEAYNFGT-GOTSBHOMSA-N 391.467 3.240 0 1 GGAF COCCNC(=O)c1ccc(-c2nc(C[S@](=O)c3ccccc3)c(C)o2)cc1 6941207 JQKBRNSJZNWHQB-MUUNZHRXSA-N 398.484 3.334 0 1 GGAF CC[C@H](C)n1c(SCC(=O)Nc2cc(C)on2)nc2ccsc2c1=O 8661830 NZTSFZCPKUNGFM-VIFPVBQESA-N 378.479 3.456 0 1 GGAF COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC(=O)[C@@]2(O)[C@@H](C)O)C1 2356424152 KYGPNWVAMZIKIS-IBMFPQHBSA-N 394.552 3.309 0 1 GGAF C[C@]12Cc3cn(S(C)(=O)=O)nc3C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 26186254 HMABERXDSMXWFO-NWUJQAFJSA-N 390.549 3.217 0 1 GGAF COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)Cc1c[nH]c2ccccc12 2356764538 OQTQCTAIEKWQPB-XMSQKQJNSA-N 383.536 3.450 0 1 GGAF COc1ccc(N2C(=O)N3CCc4c([nH]c5ccc(OC)cc45)[C@]3(C)C2=O)cc1 2112189 HCPZSJZFLHDOHT-JOCHJYFZSA-N 391.427 3.425 0 1 GGAF biogenic O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2ccn[nH]2)C1 218507975 SHXKZPPQDJUHAS-UHFFFAOYSA-N 395.772 3.466 0 1 GGAF O=P(O)(O)[C@H](CCCc1ccc(Oc2ccccc2)cc1)S(=O)(=O)O 34514340 BZNZTTRCIBAXIH-INIZCTEOSA-N 386.362 3.193 0 1 GGAF O=C(Nc1cc(-c2cccnc2)no1)c1ccc2cc3n(c2c1)CCCNC3=O 218261037 NBPQBLJQXCINOX-UHFFFAOYSA-N 387.399 3.077 0 1 GGAF CC(C)c1ccc(CC(C)(C)NC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)cc1 45298988 NUVMTNRDBTVIOF-LJQANCHMSA-N 398.503 3.491 0 1 GGAF Cc1nn(-c2ccccc2)c2ncc3c(c12)C(=O)N(c1ccc(C(=O)O)cc1)C3=O 45339764 QGKLJVLPEQHGSE-UHFFFAOYSA-N 398.378 3.228 0 1 GGAF COc1ccc(N2c3cc(Cl)ccc3S(=O)(=O)c3c(N)n[nH]c32)cc1 40422087 AWRKASRUYRFQCJ-UHFFFAOYSA-N 376.825 3.270 0 1 GGAF CC(=O)Nc1cccc(Oc2cc(N(CCO)Cc3ccccc3)ncn2)c1 82067333 GVCZELMUMPKBHF-UHFFFAOYSA-N 378.432 3.226 0 1 GGAF C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CC[C@@H](c2ccccn2)NC1=O 618012658 QTIFEOZYTGKTHW-FMKPAKJESA-N 394.500 3.478 0 1 GGAF CCCCOc1c(NCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c(=O)c1=O 653692023 JHJHAOCFNHZEGM-CQSZACIVSA-N 397.475 3.321 0 1 GGAF COC(=O)c1csc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587852046 JRJFMHZOQGVVBX-CPFSXVBKSA-N 385.258 3.455 0 1 GGAF CCCCS(=O)(=O)N[C@H](c1nc2cc3c(cc2[nH]1)OCCCO3)C(C)C 586932695 ITPSJPMPASHBQE-KRWDZBQOSA-N 381.498 3.141 0 1 GGAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1 587787809 WYTVJMHSSKZNIJ-OALUTQOASA-N 391.471 3.339 0 1 GGAF COc1ccnc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587657305 YAWFGTCPTHZNIJ-UHFFFAOYSA-N 393.349 3.434 0 1 GGAF COC[C@H](C)NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658053 JCYXHFRLOKHHOJ-NSHDSACASA-N 389.427 3.099 0 1 GGAF CC(C)(C)OC(=O)NCCC[C@@]1(C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963220572 DWHKBOUJALWROV-XMSQKQJNSA-N 399.491 3.354 0 1 GGAF C[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)NC[C@@H]1CC(=O)N(C)c3cccc2c31 963020302 FMXHZPHCIBXNMQ-GTQRCTGISA-N 385.508 3.355 0 1 GGAF CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1C1CCOCC1 1772599777 HPMRAVHHRVIMFH-KDOFPFPSSA-N 385.321 3.377 0 1 GGAF COC(=O)[C@H](CC(C)C)NCc1cccc(CN[C@@H](CC(C)C)C(=O)OC)c1 12472520 ONINDJNIDPOWSH-PMACEKPBSA-N 392.540 3.041 0 3 GGAF O=C1NCN(c2ccccc2)C12CCN(CCCCOc1ccccc1)CC2 13832623 TZOSRTSWBQKMTN-UHFFFAOYSA-N 379.504 3.274 0 1 GGAF CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(Sc4ccccc4)oc23)[C@H](O)C1 13834664 FRPNTLUZPVREQA-SUMWQHHRSA-N 399.468 3.135 0 1 GGAF CCCS(=O)(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1 169308831 JUENVCVJVXWQHC-UHFFFAOYSA-N 386.477 3.137 0 1 GGAF CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccc(OC)cc12 169719082 DXSYXGDIPRAGSH-UHFFFAOYSA-N 379.412 3.403 0 1 GGAF C[C@H](c1ccccc1)n1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)nn1 201487620 RQEHJYPXTOTYDD-LJQANCHMSA-N 389.503 3.236 0 3 GGAF COc1ccc(-n2cnn3cc(-c4ccc(Cl)cc4)nc3c2=O)cc1OC 118795042 HEIDFIAUBSMMDH-UHFFFAOYSA-N 382.807 3.218 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@@H]1c3cc(OC)c(OC)cc3CC(=O)[C@H]1CC2 2356329074 RRWBGJAHMCDNMY-PEBXRYMYSA-N 396.439 3.375 0 1 GGAF CCC[C@H](CO)[C@@H]1CC[C@@](CCc2ccc(O)c(OC)c2)(OC(C)=O)C[C@H]1O 2356373746 HHIUIIAWEHLAIJ-BAYUQKDNSA-N 394.508 3.205 0 1 GGAF Nc1nccn2c1c(-c1ccc(C(=O)c3ccccc3)cc1)nc2[C@H]1C[C@@H](O)C1 100619034 XERSJNVPLLREMY-IYARVYRRSA-N 384.439 3.448 0 1 GGAF O=C(NCc1cccnc1)c1cc([C@@H]2CCCCN2C(=O)c2ccccc2)on1 61898566 GMQQCYBDDIHPSP-IBGZPJMESA-N 390.443 3.367 0 3 GGAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@]3(OC)C[C@@]12O 2356452621 XNOMSXWCVIAZGH-FNAGCRLYSA-N 378.465 3.042 0 1 GGAF CC=C(C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(C)=O 2356520216 FFCDTHIJWHJUQJ-MOPGFXCFSA-N 386.400 3.446 0 1 GGAF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@H]1C(OC)OC 26945550 BPFFROYMJAEJNU-ORMOWBNMSA-N 389.448 3.477 0 1 GGAF NC(=O)[C@@H](CC(=O)c1csc([C@@H]2CCCNC2)n1)Cc1c[nH]c2ccccc12 73164870 YGCUUNIGCRTIFV-ZIAGYGMSSA-N 396.516 3.008 0 1 GGAF O=C1N(Cc2ccc(F)c(F)c2)c2ccccc2[C@]1(O)c1ccc2c(c1)OCO2 71333483 WAPTXLDVFGSBRU-JOCHJYFZSA-N 395.361 3.476 0 1 GGAF CN1CCC(C(=O)N(CC(=O)Nc2cc(F)cc(F)c2)C2CCCCC2)CC1 72127788 WIEVULHEKZQWJP-UHFFFAOYSA-N 393.478 3.406 0 1 GGAF Cc1noc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc12 1911574356 VLNROOYHJHHDHK-UHFFFAOYSA-N 377.231 3.457 0 1 GGAF CCOc1ccc(Nc2nc(C)nn([C@H](C)C3CC3)c2=O)c(C(F)(F)F)n1 49792423 VAHUPXXWRCYHIY-SECBINFHSA-N 383.374 3.474 0 1 GGAF Cc1c(C[C@@H](C)C(=O)Nc2ccccc2C(=O)O)cnn1-c1ccc(O)cc1 49111983 XUZKZJUMJQXACN-CYBMUJFWSA-N 379.416 3.402 0 1 GGAF NC(=O)Nc1cc(-c2cccc(Cl)c2)sc1C(=O)N[C@H]1CCCNC1 84688736 HHUACEIWNZOTBR-LBPRGKRZSA-N 378.885 3.041 0 1 GGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(CCC(F)(F)F)C23CN(C(=O)CC)C3)cc1 95794350 VHTXTJHSYJXHGY-GVKBTVHKSA-N 396.453 3.423 0 1 GGAF CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cnco5)cc34)cn2)CC1 96274070 XTEHQKIKMZYYEO-UHFFFAOYSA-N 392.419 3.112 0 1 GGAF CN1CCC(Oc2ccc3ncc(-c4cnn(-c5ccc(F)cc5)c4)n3n2)CC1 96937445 JRSLWKGUIMBYLK-UHFFFAOYSA-N 392.438 3.194 0 1 GGAF CCOC(=O)[C@H](C)Oc1cc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(F)cc1Cl 299846069 FZNRPVAJCDOIBM-QJPTWQEYSA-N 397.830 3.489 0 1 GGAF COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1CSc1ncccn1 587564148 ZSYINRFPSDRZFR-UHFFFAOYSA-N 393.428 3.194 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1ccccc12 587765138 BMOSJXKQKHFVAG-XTZNXHDOSA-N 375.241 3.342 0 1 GGAF O=c1ccc2cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)ccc2o1 586916980 BHGGSZTWPVGFJW-UHFFFAOYSA-N 385.383 3.396 0 1 GGAF O=C(O)c1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587276895 UIBJGSGQYJUDSZ-UHFFFAOYSA-N 376.162 3.012 0 1 GGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CC2OCCO2)(C2CCCCCC2)N1 962912989 PZJRARSNFCFGQT-UWJYYQICSA-N 377.456 3.353 0 1 GGAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](COCc2ccccc2)N1 962635907 KTSPKUSUONAMLY-HUUCEWRRSA-N 381.350 3.442 0 1 GGAF C[C@]1(c2cnc3n(c2=O)CCS3)NCCc2cc(-c3ccccc3)ccc21 962658201 CFTMUURSCADUGF-QFIPXVFZSA-N 375.497 3.425 0 1 GGAF Cc1c(O)ccc2c1[C@@](c1ccc3nc(O)oc3c1)(C(C)C)N[C@H](C(=O)O)C2 963524222 KAGCRUBEZISRBF-BTYIYWSLSA-N 382.416 3.046 0 1 GGAF CN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1nc2ccccc2[nH]1 1772650386 FJYMYCAEHJKSSA-ATVHPVEESA-N 394.456 3.402 0 1 GGAF Cc1nn(Cc2ccc(-c3nc4cccnc4[nH]3)cc2F)c(C)c1CC(=O)O 1772632320 CNQXUGXLXSTGNW-UHFFFAOYSA-N 379.395 3.253 0 1 GGAF CCN1CC[C@]2(CCN(C(=O)c3cc(COc4cc(C)ccc4C)on3)C2)C1 12225650 HZBPXTSCBIBPQI-QFIPXVFZSA-N 383.492 3.428 0 3 GGAF CC(C)(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@H]1c1ccco1 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IEHQKTCNOXRHBU-KRWDZBQOSA-N 382.485 3.234 0 3 GGAF COc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)ccc2ccccc12 28767747 BONDCIXLHQKYHM-UHFFFAOYSA-N 389.499 3.400 0 1 GGAF O=C1[C@H]2C[C@@H](CN2C(=O)c2ccccc2)Oc2ccccc2N1Cc1ccccn1 2356343566 SCYMTBOUEVEHQW-PZJWPPBQSA-N 399.450 3.291 0 1 GGAF O=C(NCCC1=CCCCC1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 101242124 ZAAQABDTAHTAGH-MOXWOTFGSA-N 398.528 3.037 0 1 GGAF CNC/C(=C/Cl)CNCCCCCCCCNC/C(=C/Cl)CNC 26487828 XHYYWFROTNPRRG-MJZABRMRSA-N 379.420 3.190 0 1 GGAF CSc1cccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@H]3CN2CCCC2)c1 2356866592 WGGBCPHGDIIOKW-ZHALLVOQSA-N 388.581 3.336 0 1 GGAF COCCNC(=O)[C@]1(C)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61904662 SCLZMOYOCNMLTB-SFHVURJKSA-N 380.366 3.224 0 3 GGAF O=C(NCc1ccccc1)c1cnc(N2CCOCC2)nc1-c1ccccc1F 82152278 KWXZDIFQFCPAOG-UHFFFAOYSA-N 392.434 3.049 0 1 GGAF CC(C)(C)n1nc(-c2cnc3cc(OC4CCC4)ccc3c2)c(C(N)=O)c1N 221703762 ILMARQUWIMHOSG-UHFFFAOYSA-N 379.464 3.466 0 1 GGAF O=C(O)c1cn(Cc2ccc(-c3ccc(F)nc3)cc2)c2c(c1=O)[C@H](O)CCC2 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380.433 3.056 0 1 GGAF COc1cccc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c12 586935045 GAIYUHDFAUQJID-HNNXBMFYSA-N 391.518 3.344 0 1 GGAF N[C@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1ccc(F)cc1F 587150182 LBFPECMIFOPIPW-LBPRGKRZSA-N 382.164 3.350 0 1 GGAF CCOC(=O)C[C@]1([C@@H]2CCOC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616674 LTXCBJGSIUDOND-JSVDNDDVSA-N 398.411 3.082 0 1 GGAF CNC(=O)[C@H]1C[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587234164 CRFQZKBBOHAHTN-WDSKDSINSA-N 378.148 3.074 0 1 GGAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2nc(Cl)c[nH]c-2n1 586983952 DUOMAGPLJZZLRN-NSHDSACASA-N 394.660 3.140 0 1 GGAF N=c1[nH]ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586961588 SEJBEUYPULDZQQ-COXVUDFISA-N 397.504 3.065 0 1 GGAF COc1ccc2c(c1OC)[C@]1(c3cc(Cl)ccc3OC[C@@H]1N)N(C)[C@H](C)C2 962575047 VNOHUNLVUQBWJY-CECALHEMSA-N 388.895 3.197 0 1 GGAF C[C@]1(c2cnn3ccccc23)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973125 UXDPAHFCVVZLGA-FZKQIMNGSA-N 377.778 3.128 0 1 GGAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@]3(CCCC[C@H]3CCCO)N12 962673302 UJEPFDPWKVIMBX-PDIWNELESA-N 382.504 3.491 0 1 GGAF COc1ccc2c(c1)C=C([C@@]1(C)NCCc3ccc(C(=O)N(C)C)cc31)CO2 962922712 GOYUBXCSFKXVGN-HSZRJFAPSA-N 378.472 3.234 0 1 GGAF CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@]23N[C@H](C(=O)O)Cc2cc(F)ccc23)C1 962918659 JLKBRLPHJXICNH-DQLDELGASA-N 390.455 3.041 0 1 GGAF CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(N)=O)C(=O)N1 13820432 LFRCBGUYFGOVRU-CYBMUJFWSA-N 385.342 3.076 0 1 GGAF O=C(O)CCC/C=C/C[C@@H]1[C@@H](CNC(=O)NCc2ccccc2)[C@H]2CC[C@H]1O2 169327194 WKHILVPAOTUCOV-ATJLDBAISA-N 386.492 3.481 0 1 GGAF Cc1nc(C(C)(C)NC(=O)c2ccc([C@H]3CCCO3)c(OCC3CC3)n2)no1 206687093 ITQKLJTVQXSGEF-MRXNPFEDSA-N 386.452 3.078 0 1 GGAF O=C(Nc1ccc(C(=O)N2C[C@@H]3COC[C@H]3C2)cc1)N1Cc2ccc(F)cc2C1 166340365 LFNQYOKAFZWIKN-QZTJIDSGSA-N 395.434 3.092 0 1 GGAF CCC(=O)N1CCC[C@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201104711 WEBSKLAXHVKIKB-GANZUKCXSA-N 398.547 3.482 0 1 GGAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)CC2CCOCC2)no1 205493818 HUDBWQVHNBCINZ-HNNXBMFYSA-N 377.485 3.108 0 1 GGAF C/C=C(\C)C(=O)O[C@H]1CC[C@@](C)([C@@H]2C=C[C@](C)(O)CC2)O[C@@]1(C)COC(C)=O 205254369 OYQMZQOODNGOAA-MUXFQEDTSA-N 394.508 3.473 0 1 GGAF Cn1c(Nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc(=O)n(O)c1=O 1857551522 MEGQYKYDJTYLGT-UHFFFAOYSA-N 377.322 3.214 0 1 GGAF COc1cccc(Nc2ncc3nc(C)c(=O)n(CCc4ccccc4)c3n2)c1 4238739 QYTHPTNFHVSQOA-UHFFFAOYSA-N 387.443 3.490 0 1 GGAF COc1ccc(OC)c([C@H]2COC[C@@]3(C2)OCCN[C@H]3c2ccc(F)cc2)c1 26507384 MQBYITUBYNOORJ-URZJWIJPSA-N 387.451 3.447 0 1 GGAF COc1cc([C@H]2N[C@@H](c3ccc(O)c(OC)c3)[C@H]3CCC[C@H]2C3=O)ccc1O 103071202 UAMXHBGICKPTLI-LYDRAKHJSA-N 383.444 3.486 0 1 GGAF CC1=C[C@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 2356308584 GPZIFXZVUAVSAF-HBMCJLEFSA-N 383.536 3.469 0 1 GGAF CC(C)(C)CCN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356530536 FFNZVMCAJGQVGJ-BQJUDKOJSA-N 383.536 3.070 0 1 GGAF NC(=O)c1ccc2nc(-c3ccc(C(=O)c4ccc5c(c4)OCCO5)cc3)[nH]c2c1 139588982 BDHQHTHSODLAOE-UHFFFAOYSA-N 399.406 3.331 0 1 GGAF COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccccc2)C3)cc1 84651962 AWIDXSUFNLMVFO-UHFFFAOYSA-N 380.488 3.199 0 1 GGAF O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCCC1 95864525 LRSXIIXLGAPHOW-FCHUYYIVSA-N 382.548 3.408 0 1 GGAF CN(CCO)c1ncc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cl 96270031 IPUHJXZRYYPFAX-UHFFFAOYSA-N 391.899 3.479 0 1 GGAF COc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c1 95594503 GUXOLUXVTDWVQY-UHFFFAOYSA-N 389.459 3.078 0 1 GGAF CN1C(=O)N(c2ncccc2F)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl 95611030 KXMBVNNHGAKUKK-AWEZNQCLSA-N 397.237 3.084 0 1 GGAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@@H]1CN(C)CCO1)[C@@H](C2)C3=O 587420703 IXFBDSIMCPLTEF-JLMWRMLUSA-N 399.874 3.322 0 1 GGAF Cc1ccc2c3c(c4c(nc13)[C@@H]1[C@@H](CC4)CN[C@H]1C(=O)O)-c1ccccc1C2=O 587096392 JKPNKYJOWATELI-KRYGIPSASA-N 384.435 3.457 0 1 GGAF COc1cccc2c1NC(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587788984 BAIRYKJJBQCLTE-LZVRBXCZSA-N 391.240 3.327 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)nc2)N1 587849482 MQLKHZYSDDMLFQ-ABKXIKBNSA-N 399.285 3.010 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(F)c(N)c(F)c3)[nH]c2c1 587135256 XOQHKJPZSJKAEN-UHFFFAOYSA-N 380.420 3.169 0 1 GGAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc5ccccc5cc4[nH]3)c2N)C1 586955620 QGVWVMCCXARWIO-UHFFFAOYSA-N 392.484 3.283 0 1 GGAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 587244415 HIKGLUQDDVXZIE-LJQANCHMSA-N 390.403 3.426 0 1 GGAF Cc1nc(O)nc(S)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587847345 WNCXOMCWPIOOCY-GYKQLYQFSA-N 398.301 3.479 0 1 GGAF Nc1ncnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc12 587026755 MMZMBQLQUDLAAX-MJBXVCDLSA-N 382.493 3.072 0 1 GGAF COc1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587656537 MVUZVXDCJMBZMP-UHFFFAOYSA-N 393.349 3.434 0 1 GGAF COc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)c2cc(C(=O)O)oc12 962900605 JAVFFTDPXCMMAC-YCRPNKLZSA-N 399.374 3.141 0 1 GGAF CN(CC(F)(F)F)C[C@H]1CC[C@H](N2CNC(=O)c3c[nH]c4nccc-4c32)CC1 1772576047 IRUHHPCRGFKYOZ-JOCQHMNTSA-N 395.429 3.075 0 1 GGAF CC(C)N(C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21)S(C)(=O)=O 149351657 KHADGHBVAHEBCO-HNNXBMFYSA-N 396.459 3.104 0 1 GGAF COc1ccccc1[C@@H]1c2cc3c(cc2O[C@@H](N2CCOCC2)[C@H]1C)OCO3 1641991 PFCLMKILYKMDPO-GAQQMNMRSA-N 383.444 3.243 0 1 GGAF CN(C(=O)Cn1c(=O)n(C2CCCC2)c(=O)c2ccccc21)C1CCCCC1 2467781 AQLUBMOSCNGORM-UHFFFAOYSA-N 383.492 3.069 0 1 GGAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1[nH]cnc1Cl 103173076 JHQILUCAHUSRRD-CYBMUJFWSA-N 381.860 3.203 0 1 GGAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1CC#CCCCC(=O)OC 118260896 GBUKMSJCTVLVDO-CIIOTFSCSA-N 392.536 3.423 0 1 GGAF CN(CC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)Cc1ccncc1 64573115 KGONGDWVMJGBMU-UHFFFAOYSA-N 393.318 3.169 0 1 GGAF COC(=O)Cc1nc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)no1 26495404 JISPZBYJAAXGBF-UHFFFAOYSA-N 385.420 3.377 0 1 GGAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(C2CCCCCC2)C(=O)[C@@]31C 2111707 KMXKQPAMENHLAA-HSZRJFAPSA-N 395.503 3.341 0 1 GGAF biogenic COc1ncc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)cn1 219763540 XKWLIQMYHPAVKH-GFCCVEGCSA-N 389.419 3.306 0 1 GGAF CCNc1ncc(C)c(-c2c[nH]c(C(=O)N[C@@H](C(C)=O)c3ccccc3)c2)n1 87612985 UMWURZZQFKRNCP-IBGZPJMESA-N 377.448 3.272 0 1 GGAF O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 95869194 LRSXIIXLGAPHOW-FGZHOGPDSA-N 382.548 3.408 0 1 GGAF C[C@H](Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(=O)O 142475588 OJNUYWJWTPHHKB-NSHDSACASA-N 396.378 3.059 0 1 GGAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1 141293584 IXNNHLJSIRKAMO-UHFFFAOYSA-N 381.432 3.125 0 1 GGAF COC(=O)c1ccc(C[C@]2(C(=O)OC)CC(=O)O[C@@]2(C)c2ccccc2)cc1 299824867 DWWKXCZMKXNHTN-FCHUYYIVSA-N 382.412 3.037 0 1 GGAF O=C(Nc1ncnc2[nH]cnc12)c1ccccc1-c1ccc(-n2ccnc2)cc1 653798218 CMTVBHXGKBIQBN-UHFFFAOYSA-N 381.399 3.458 0 1 GGAF CCN1C(=O)C[C@@H](c2nc3ccc(C(N)=O)cc3[nH]2)[C@@H]1c1ccccc1Cl 587062648 ZMMYAGDOCAXTMM-ACJLOTCBSA-N 382.851 3.392 0 1 GGAF O=C(COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)Nc1ccccc1 587556571 XQEVBEXCURTXDR-UHFFFAOYSA-N 388.383 3.121 0 1 GGAF N=c1nc(O)c2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2[nH]1 587110400 UVCQNRYPVOWEDY-UHFFFAOYSA-N 377.248 3.099 0 1 GGAF CCOC(=O)C(F)(F)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543914 CSDKIRYJJYOZMJ-KSSFIOAISA-N 378.327 3.311 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=Cn3c(C=O)cnc32)N1 587774071 LFUIXUHQAZZSLZ-BMLIUANNSA-N 376.229 3.249 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cn2)OCCO3)N1 587779609 USFOCKCZQDWTJY-XLFHBGCDSA-N 379.229 3.378 0 1 GGAF COC(=O)c1cc2nc(/C=C/S(C)(=O)=O)[nH]c2c(F)c1Nc1ccccc1 586927029 RUNUSWIOAZJECV-CMDGGOBGSA-N 389.408 3.248 0 1 GGAF O=C(O)[C@H]1[C@@H]2C[C@@H](C[C@@]23NCCc2cccc(-c4ccccc4)c23)[C@H]1C(=O)O 962671044 RMYZESZSOFXIKS-NPPXNQFGSA-N 377.440 3.136 0 1 GGAF O=C(c1cccnc1NCc1ccncc1)N1CCC(N2CCCCC2)CC1 1772613564 XILWIJADFSQJGY-UHFFFAOYSA-N 379.508 3.179 0 1 GGAF CCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)SCC(=O)O 1772592605 NZXGUOUUAFXHMN-INIZCTEOSA-N 376.478 3.120 0 1 GGAF CS(=O)(=O)c1ccc(-c2cc(C(=O)CCCO)nn2C2CCCCC2)cc1 13560526 NPUMUDXTYURLDK-UHFFFAOYSA-N 390.505 3.414 0 1 GGAF Cn1c(=O)[nH]c2nc3ccc(OCCCC(=O)NC4CCCCC4)cc3cc21 13725648 IEJDYNFNHADWGH-UHFFFAOYSA-N 382.464 3.023 0 1 GGAF CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(Br)cc3)c12 169697398 BQVZAJDTYLTTRC-UHFFFAOYSA-N 398.268 3.304 0 1 GGAF C[C@H](O)c1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)C 206139118 RHIDXFBMAIUIMQ-NSHDSACASA-N 379.464 3.175 0 1 GGAF CC(C)(O)c1ccc(Oc2ccc3nc(C(=O)N4CCNCC4)ccc3c2)cc1 584606090 MVSAGGPQDGHLLS-UHFFFAOYSA-N 391.471 3.300 0 1 GGAF COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)[C@H]1c1ccc(F)cc1 3650852 SBSPABATXJNVTE-LEWJYISDSA-N 396.462 3.375 0 1 GGAF COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2C)cc1Br 4035180 BMPCFTVFJUUIBJ-HOTGVXAUSA-N 390.233 3.453 0 3 GGAF COc1ccc(CNC(=O)CCc2nc(-c3ccccc3F)no2)c(OC)c1 4142268 FFMWNGCVXDPGMD-UHFFFAOYSA-N 385.395 3.142 0 3 GGAF C[C@@H]1CCCCN1Cc1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1 4907541 ALXVQBNGZRZDEE-QGZVFWFLSA-N 396.539 3.163 0 3 GGAF CC=C[C@@H]1O[C@@H]2Cc3c(ccc4c3C[C@H](O)C[C@H](O)C4)[C@@H]3CC[C@H]([C@@]1(C)O)[C@@]32C 2356396353 IVFLABXZDZRHJH-QGJJHSLGSA-N 398.543 3.048 0 1 GGAF CCn1cc(-c2nn3c(-c4cnc(N)c(C(F)(F)F)c4)cnc3s2)cn1 114040838 KZGFUDRECRXYET-UHFFFAOYSA-N 379.371 3.337 0 1 GGAF CCCCN1C(=O)[C@@H](CC(=O)NC2CC2)CC(C(=O)N(C(C)C)C(C)C)=C1C 61921682 XAIBGTLLSKDPBE-QGZVFWFLSA-N 391.556 3.223 0 3 GGAF CN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1 36248231 YSOCJLRWGGPWKP-OAHLLOKOSA-N 399.441 3.413 0 1 GGAF Cc1cccc(C)c1-c1nnc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)s1 43071147 TZOKHEMFUMNQIH-UHFFFAOYSA-N 394.456 3.429 0 1 GGAF CCc1nc(-c2cc(-c3cc(F)c(CO)c(F)c3)c3c(N)ncnn23)cs1 224958153 HGMJOYMHMCRCFK-UHFFFAOYSA-N 387.415 3.435 0 1 GGAF CC[C@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82207701 QMXYXIKBOFPKJM-SFHVURJKSA-N 390.487 3.238 0 1 GGAF Cc1nc2cccnc2n2c(-c3cc(O[C@@H]4CCOC4)ccc3Cl)nnc12 145716459 RBIPQUPPQHENAE-CYBMUJFWSA-N 381.823 3.469 0 1 GGAF N[C@H]1CC[C@H](Nc2cncc(-c3cccc(/C=C4\SC(=O)NC4=O)c3)n2)CC1 254079883 UKPXIONZHWFMAU-MDYDWWASSA-N 395.488 3.149 0 1 GGAF COc1ccc(-c2cc(CNC(=O)[C@@H](OC)c3ccccc3)on2)cc1OC 621429881 CZQVHUCJXPNYNA-FQEVSTJZSA-N 382.416 3.363 0 1 GGAF COc1ccc(CCNC(=O)C2(c3ccccc3)CCN(C)CC2)cc1OC 473152862 WFVHJKOXFHWPIC-UHFFFAOYSA-N 382.504 3.026 0 1 GGAF CC(=O)c1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C 587581763 MJWMKMTVDDHSAF-LAUBAEHRSA-N 378.384 3.205 0 1 GGAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3ccc(C(C)(C)C)nc3[nH]2)s1 587024052 LYDKTNFBFJUNQZ-UHFFFAOYSA-N 388.497 3.467 0 1 GGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cncc(Cl)c2[nH]1 586965269 VJWYQXMHKSNKOO-UHFFFAOYSA-N 388.888 3.068 0 1 GGAF CCOC(=O)C[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526909 UZLCTSNXNQTJJX-JTSKRJEESA-N 388.460 3.422 0 1 GGAF COc1cc(Br)c([C@@H](N)c2nc3ccc(O)cc3[nH]2)cc1OC 586975045 JHNUAJHZDGXWMY-OAHLLOKOSA-N 378.226 3.096 0 1 GGAF CC1=C(c2ccc3nc(C[C@H](N)c4ccccc4Cl)[nH]c3c2)NNC(=O)C1 587059264 NDXUOGCUPAQCBD-HNNXBMFYSA-N 381.867 3.214 0 1 GGAF O=C(O)C[C@H]1CCCc2ccccc2[C@@]12N[C@H](C(=O)O)Cc1cc(F)ccc12 962918554 ILBJNCVGRHKJRB-MPHOGZCYSA-N 383.419 3.095 0 1 GGAF Cc1ccc2ncc([C@@H]3N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)n2c1 962967582 BKUDUWFNCVEVPW-PXAZEXFGSA-N 377.778 3.263 0 1 GGAF CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCNC3)nc21 1772641662 GPXCDUCDIFDAGL-ZDUSSCGKSA-N 386.891 3.160 0 1 GGAF Cc1ccc(CNc2ncc3c(N4CCC(C(=O)O)CC4)nccc3n2)cc1 13366911 RBXBWNNNERWQFP-UHFFFAOYSA-N 377.448 3.246 0 1 GGAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4049353 BGAFBUDOOJUNFM-BJZITVGISA-N 390.842 3.458 0 1 GGAF C[C@@H]1[C@@H](NC(=O)CCCn2c(=O)[nH]c3cc(Cl)ccc3c2=O)CCC[C@H]1C 103231593 XLNBYRSHUJNFNF-WWGRRREGSA-N 391.899 3.064 0 3 GGAF COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC1CCNCC1 58506646 VOCGADAATAOIOJ-UHFFFAOYSA-N 395.912 3.313 0 1 GGAF C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(CCc2ccc(Cl)cc2)CC1 22812799 MKIYNFAWYNPOJY-SFHVURJKSA-N 397.950 3.478 0 1 GGAF CCCCCCN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 2356507792 HHJJCXLDMWYKPN-YSFYHYPLSA-N 383.536 3.214 0 1 GGAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@H]2[C@H]1[C@@H]1C[C@](C)(O)CCC[C@](C)(O)[C@@H]2O1 2356620679 BLMRZMAUEMLTCH-BCPIKXHLSA-N 382.541 3.450 0 1 GGAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(CN1CCC(=O)CC1)C(F)(F)F 34802046 GXMLOARZGCYGOF-GOSISDBHSA-N 391.405 3.460 0 1 GGAF CN1CC(N2CCc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc32)C1 72114389 MSFJSSSKPPVGMF-UHFFFAOYSA-N 387.483 3.093 0 1 GGAF CS(=O)(=O)Nc1ccc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)cc1 72184679 DIQVZOXRQZBNGP-IBGZPJMESA-N 388.876 3.391 0 1 GGAF CCOc1cc(CCNc2nc(N3CCSCC3)ncc2C)ccc1OC 82202829 NBEYEWAMWJDXJY-UHFFFAOYSA-N 388.537 3.400 0 1 GGAF COc1ccc(C2=NCCN2)cc1-c1ccnc2[nH]c([C@@H]3CCCNC3)cc12 226063964 YCRDPNSPOUMPBF-OAHLLOKOSA-N 375.476 3.055 0 1 GGAF O=C1Cc2cc(-c3nccnc3C3CN(c4ncc5ccccc5n4)C3)ccc2N1 139798340 OIYFLEYZDVBQRI-UHFFFAOYSA-N 394.438 3.185 0 1 GGAF CCN1CCc2c(n(S(=O)(=O)c3cccc(OC)c3)c3ccccc23)CC1 40412426 UJXLHMKOTJUCKL-UHFFFAOYSA-N 384.501 3.307 0 1 GGAF CC[C@@H](NC(=O)c1cc(C(=O)NCCC2CC2)n2c1COCC2)c1ccccc1 143876919 VXKWXYDOWIFKHF-LJQANCHMSA-N 395.503 3.429 0 1 GGAF C=CS(=O)(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1 148830965 IZWMGUVKLJASEA-UHFFFAOYSA-N 386.433 3.276 0 1 GGAF COc1c(O)cc(-c2oc3cc4c(c(O)c3c(=O)c2O)C=CC(C)(C)O4)cc1O 238788713 SJTVGPLABIRSLA-UHFFFAOYSA-N 398.367 3.475 0 1 GGAF CNc1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)ncc1C 253673120 DAHXLXBUJMKRKI-OKILXGFUSA-N 375.423 3.258 0 1 GGAF COc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)nn1-c1ccccc1F 587156320 KWPSCCGTGXPIAR-UHFFFAOYSA-N 378.289 3.324 0 1 GGAF CC(C)(C)OC(=O)N(Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)C[C@@H]1CCCO1 587197145 KEXDEQKGMYJGKP-NSHDSACASA-N 393.415 3.316 0 1 GGAF COC(=O)[C@@H]1CSCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587858617 SCZNMKNIVKBBIO-RCAYSMOQSA-N 388.302 3.244 0 1 GGAF COC(=O)C(=O)C[C@]1(c2cc3ccccc3o2)CC(=O)c2cc(C)cc(N)c2O1 587415291 ZOYKAUDZOIEQLL-QFIPXVFZSA-N 393.395 3.316 0 1 GGAF CNC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587577784 LTSOUCXELHAPOM-GHTZIAJQSA-N 375.380 3.455 0 1 GGAF CCOC(=O)c1nocc1[C@@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 587396062 WMWJBMDFVGQHGG-OAQYLSRUSA-N 393.399 3.046 0 1 GGAF CS(=O)(=O)c1cccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 586926476 PVENTFZCPDULEY-UHFFFAOYSA-N 386.658 3.444 0 1 GGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(F)cnc(Cl)c4[nH]3)cc12 587038362 RPEPXKDQYQGUMD-ZETCQYMHSA-N 392.847 3.498 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CC[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]41)[C@@H](C2)C3=O 587444165 NRBNXIDDVWAGCF-ORIGJIQFSA-N 385.460 3.458 0 1 GGAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 587346547 JIGZHWGJTMANNI-SIKLNZKXSA-N 391.354 3.443 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C2CC2)[nH]n1 587869368 HMVWDQHTIHCRGT-UHFFFAOYSA-N 377.326 3.262 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H]1[C@H]3C[C@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@H]3[C@H]12 587818384 RDBXCEGEOKWHMZ-DFECHMMASA-N 388.280 3.275 0 1 GGAF CC(C)COc1cc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c2cc1Br 587254058 PNJJPBFQKMZCTC-UHFFFAOYSA-N 394.269 3.365 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OC[C@@H]3CCCO3)c2cn1)c1ccccc1 1772633052 YTPKUXFJEQBLBF-HIFRSBDPSA-N 381.436 3.398 0 1 GGAF CC(C)(C)c1ccc(Cn2ccn3cc(C(=O)N4CCCCC4)nc3c2=O)cc1 1772617220 AHJVYEVAZIHMEK-UHFFFAOYSA-N 392.503 3.468 0 1 GGAF COc1ccccc1CC(=O)Nc1cnn(CC(=O)NCCC2=CCCCC2)c1 12450197 IINYTNPNRQNCLU-UHFFFAOYSA-N 396.491 3.080 0 1 GGAF COc1cc2ncnc(N3CC[C@H](Oc4ccccc4OC)C3)c2cc1OC 14956418 APOQAWXVAQVYAS-AWEZNQCLSA-N 381.432 3.313 0 1 GGAF COc1cccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4o3)C2)c1OC 201461397 GDMZAFDGGXJSCF-MRXNPFEDSA-N 395.459 3.378 0 3 GGAF COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(Cl)sc21 1857545618 ORYLVSQTZPNBNU-UHFFFAOYSA-N 378.881 3.076 0 1 GGAF CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@H]1c1cccs1 6722141 SCWHCAYEFQZPMS-RBUKOAKNSA-N 377.469 3.370 0 1 GGAF O=C(CCCN1C(=O)CSc2ncccc21)NCc1ccc(Cl)cc1 6802629 MPXCXQKTAICKDB-UHFFFAOYSA-N 375.881 3.270 0 1 GGAF CC(C)C[C@H](CO)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CCC1=O 8680115 KVEPMAURIRKNNG-CQSZACIVSA-N 387.307 3.075 0 3 GGAF O=C(Cc1nc2ccccc2[nH]c1=O)Nn1c(-c2ccccc2)csc1=S 103272699 VYIXZIWGBFVTSH-UHFFFAOYSA-N 394.481 3.495 0 1 GGAF COc1cccc(CNC(=O)CSc2n[nH]c3c4cc(F)ccc4nc-3n2)c1 101783595 UDPYOIHBIUDXOR-UHFFFAOYSA-N 397.435 3.014 0 1 GGAF CN(CCc1ccccc1)C1CCN(C(=O)c2cccc3c2NC(=O)CC3)CC1 26830114 PPMCOEILKAXOHN-UHFFFAOYSA-N 391.515 3.350 0 1 GGAF CC1(C)C[C@@H](C(=O)NCCCNCc2ccc(C(F)(F)F)cc2)C(C)(C)N1 40466464 BDRXSEWDYMWQHC-INIZCTEOSA-N 385.474 3.468 0 1 GGAF CCc1nc(C(=O)NCc2ccc(C(=O)OCCCCN(C)C)cc2)cs1 82069905 DIGAMPUZPIRGHR-UHFFFAOYSA-N 389.521 3.134 0 1 GGAF C[C@H]1CNc2c(NCc3ccccc3F)c(=O)n(CC3CCCCC3)c(=O)n21 82211079 RSTBCDFJAHNPNN-AWEZNQCLSA-N 386.471 3.328 0 1 GGAF COCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc(F)cc2)n1 82141062 CJVQXWKSCOCWGV-GJZGRUSLSA-N 386.471 3.459 0 1 GGAF Nc1ncc(-c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2F)cn1 224813846 RNDKRTKDLHFSMV-UHFFFAOYSA-N 384.436 3.072 0 1 GGAF CCCCNC(=O)[C@H](C)NC(=O)c1csc(-c2ccccc2OCC)n1 82070743 JCHGKBSOEFMXMC-ZDUSSCGKSA-N 375.494 3.243 0 1 GGAF CC(C)[C@@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(C(C)C)c2=O)N1 82224265 JNCRTRRGVASITB-INIZCTEOSA-N 382.464 3.399 0 1 GGAF CC(C)n1cc(-c2cc(-c3ccc(CN4CCOCC4)c(F)c3)cnc2N)nn1 142740819 JATRXSPQYZZTFU-UHFFFAOYSA-N 396.470 3.142 0 1 GGAF CC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CN(C(=O)c1ccccc1F)C(C)C 95667284 JHMIYPXHKFGIJW-YPAWHYETSA-N 398.478 3.052 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)c4cc(Cl)ccn4)ccc31)[C@H]1CC[C@@H](C2)N1 96175225 YVBFOMUWVVPKDA-SWLSCSKDSA-N 387.892 3.409 0 1 GGAF COc1ccc(C(=O)c2cc(F)c(F)c(OC)c2F)c(OC)c1NC(C)=O 96927041 OHVNNQMEOLJVMY-UHFFFAOYSA-N 383.322 3.319 0 1 GGAF CCOC(=O)CS[C@@H]1NC(=O)[C@H]2[C@@H](N1)c1ccccc1CC21CCCCC1 618016640 XJHPTSMFQIWCBR-HBFSDRIKSA-N 388.533 3.150 0 1 GGAF Cc1cc(C(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc2c[nH]nc12 473152672 VBRIDOROBYYVSA-OAQYLSRUSA-N 384.480 3.344 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2S(C)(=O)=O)N1 587845341 AIZKWVJDYBURSF-CKUKBARFSA-N 390.318 3.305 0 1 GGAF COC(=O)c1ccc2[nH]c(-c3ccc([C@@H]4C[C@H]4C(=O)OC)cc3)nc2c1OC 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Cc1ccc(CN2C[C@@H]3C[C@@H](c4cccc5c4OCO5)N4CCC[C@@]34C2=O)o1 12459037 TWKUXYGRQXGSOA-VPKVUBIPSA-N 380.444 3.255 0 1 GGAF Brc1cc([C@H]2C[C@@H]3CC[C@H]2N3)cnc1I 13491721 WAVPLZVAIHIFRR-QXFUBDJGSA-N 379.039 3.057 0 1 GGAF CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4206303 CYGBEFLDXZSMEE-VYDXJSESSA-N 378.881 3.380 0 1 GGAF COc1ccc(Oc2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(C)c3n2)cc1 4238343 WILALIOBOFTYAC-UHFFFAOYSA-N 396.353 3.470 0 1 GGAF Cc1c(/C=C/CN2CCN(c3cc(F)cc(F)c3)CC2)cnn1-c1ncccn1 53023029 CNAOLBLYYSSPAO-DUXPYHPUSA-N 396.445 3.084 0 1 GGAF CC1=NNC(=O)[C@H]1[C@H]1CC(c2c[nH]c3ccccc23)=NN(c2ccccc2)C1=O 102944490 YEXUMQAANBDADK-OXQOHEQNSA-N 385.427 3.047 0 1 GGAF COc1cccc(NC(=O)NCCCN2CCO[C@@H](Cc3ccccc3)C2)c1 29399473 UUFVAZYXNZBVRH-NRFANRHFSA-N 383.492 3.150 0 1 GGAF CC=C(C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(C)=O 2356520218 FFCDTHIJWHJUQJ-RBUKOAKNSA-N 386.400 3.446 0 1 GGAF CC(=O)O[C@@H]1[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)CCCC(C)=C3C2)OC[C@@H](O)[C@@H]1O 2356521911 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1 GGAF CC(=O)OC[C@]1(O)OC[C@]23CC[C@H]4[C@@H](CC[C@H]5CC(=O)CC[C@@]54C)[C@@H]2CC[C@@H]13 299850042 KHPQUAVODVOVLY-YMVHTGQWSA-N 390.520 3.476 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1ccc(F)cc12 587733391 OFOANQVYBVBFJV-LZVRBXCZSA-N 393.231 3.482 0 1 GGAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(Br)c(O)c3[nH]1)C2 587245905 AUMRHWMIIMIFSX-GOSISDBHSA-N 388.265 3.383 0 1 GGAF O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(O)cc2[nH]1)c1ccc(F)cc1 587171055 WFEPTLWBYDJWSB-LJQANCHMSA-N 397.431 3.476 0 1 GGAF COc1c(C)cc(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 587937942 XIAHKDLCDWOZRY-UHFFFAOYSA-N 380.286 3.014 0 1 GGAF NC(=O)NCCC[C@H](N)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587260431 WIDUSCXQVXAUCL-LBPRGKRZSA-N 380.477 3.288 0 1 GGAF CN=c1nc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]s1 587371440 DSJMQTPIHCFTKY-PXNSSMCTSA-N 399.447 3.207 0 1 GGAF CNc1cc(Cn2nc(C(=O)O)cc2C)c2nc(N3CC=CCC3)sc2c1 1772635695 ONEIOGCIWUJISL-UHFFFAOYSA-N 383.477 3.356 0 1 GGAF CC[C@]1(O)CC[C@@]2(CO1)[C@@H]1CCC3=C4C(=C(C(=O)OC)C[C@@]42CN(C)C1)CC3 13431799 INNZHGHJFINUNM-HKDUHGGJSA-N 387.520 3.187 0 1 GGAF C[C@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206042242 JEEBMWMQKVUCIS-QBMUGXQSSA-N 394.512 3.064 0 3 GGAF CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC[C@@H](O)CO)cc1 775410 UOIBFXWCYKLYTE-MRXNPFEDSA-N 398.434 3.354 0 1 GGAF Cc1c(CC(=O)O)nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c1C 3783040 GOXYYTFXRIUADE-UHFFFAOYSA-N 397.378 3.164 0 1 GGAF CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O 3939647 OPOKLUOSXLQAIT-HNNXBMFYSA-N 383.500 3.376 0 1 GGAF Cc1ccc([C@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nnc(C)s2)cc1 110734593 XYXQFIDWDSKQHJ-GJZGRUSLSA-N 397.481 3.373 0 1 GGAF CCO/C(O)=C1\C(C)=Nc2nc(SC)nn2[C@H]1c1ccc(C(=O)OC)cc1 101932434 IUYNFMVCKINARD-BXWAGETQSA-N 388.449 3.288 0 1 GGAF O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@H]1/C=C/[C@H](O)C1Cc2ccccc2C1 27074360 HBFPJNMHVFJGAS-SWZVZYOASA-N 398.499 3.086 0 1 GGAF O[C@@H](c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26008637 UALIIGYAUNFWEZ-DLBZAZTESA-N 382.222 3.345 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CC[C@](C)([C@@H]2C=C[C@](C)(O)CC2)O[C@@]1(C)COC(C)=O 2356396577 OYQMZQOODNGOAA-MPAQAYSTSA-N 394.508 3.473 0 1 GGAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCc1ccc2c(c1)OCO2 64637942 XCLJFCDEJNBRDD-GOSISDBHSA-N 383.444 3.029 0 1 GGAF CC(C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)n2c1nc1ccccc1c2=O 15216252 DNPSVQYQTPYSPH-PMACEKPBSA-N 386.455 3.489 0 1 GGAF biogenic COCCNc1nccc([C@@H]2CCCN(CCc3c[nH]c4ccccc34)C2)n1 40915465 NYTBSMRRGSUXPY-GOSISDBHSA-N 379.508 3.438 0 1 GGAF in-vitro CN1CCN(c2cc3nc(-c4ccccc4)nn(-c4ccccc4)c-3cc2=O)CC1 95580520 RYVLMXMPSYZJNJ-UHFFFAOYSA-N 397.482 3.151 0 1 GGAF N[C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2F)S3)C1 95552623 NQSNOUGKZHUKPA-KPYNCUPYSA-N 383.448 3.084 0 1 GGAF C[C@H]1Cc2c(cnn2-c2ccccc2)C(=O)N(C2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)C1 95591749 ZORKFISLJDPJLY-JYXFHLNRSA-N 391.515 3.446 0 1 GGAF COc1ccc(C2=C[C@H](c3oc(CO)cc(=O)c3O)c3ccccc3O2)cc1 299855250 AUKYUGQKSQROMH-KRWDZBQOSA-N 378.380 3.412 0 1 GGAF COC(=O)c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2n1 587121204 XNMARXVOJQCQNZ-UHFFFAOYSA-N 379.220 3.172 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](S(C)(=O)=O)C2)N1 587850804 RZGCXXUQJNRGBT-NSODJVPESA-N 390.318 3.305 0 1 GGAF Oc1nc(S)nc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc12 586997391 BVNOJYMGJVLNEF-OWOJBTEDSA-N 393.222 3.009 0 1 GGAF COc1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)ccc1OCC(=O)NC(C)C 587219170 MUELDKXBODLMHC-UHFFFAOYSA-N 379.420 3.018 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCCC2)nc1 587597444 VFQKPCLEXJGJPB-RXVVDRJESA-N 389.411 3.485 0 1 GGAF CC1(C)C[C@@]2(C=C(C(=O)O)O1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617690 QNBWPKWZERAQQV-HRAATJIYSA-N 382.368 3.260 0 1 GGAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cnc4ccccc4c3[nH]2)cc1 586926201 LRFYSHVWJXIFSM-UHFFFAOYSA-N 379.441 3.330 0 1 GGAF Cc1oc(=O)n(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(S(N)(=O)=O)cc1 13803977 NUDDJTVUTAHDEI-UHFFFAOYSA-N 399.255 3.360 0 1 GGAF Nc1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(N)cc4)cc3)cc2)cc1 13837703 IYAXZUKBKWGOOG-UHFFFAOYSA-P 396.538 3.308 0 1 GGAF CCCCOc1c(OC)cc(C(=O)NCC2(N(C)C)CCCC2)cc1OC 13863599 MPIKZGJEXQGEJE-UHFFFAOYSA-N 378.513 3.487 0 1 GGAF O=C(O)c1ccccc1NC(=O)N1CCN(c2ncccc2C(F)(F)F)CC1 169349290 JKCKHRTYNGGMMO-UHFFFAOYSA-N 394.353 3.153 0 1 GGAF COc1cccc(Cc2cc(C)nn([C@@H](C)C(=O)Nc3ccccc3F)c2=O)c1 1857557757 GMHZSFHYHDWZCT-HNNXBMFYSA-N 395.434 3.490 0 1 GGAF C[C@H]([C@H](O)c1ccc2c(c1)CCC(=O)N2)N1CCC(O)(c2ccc(F)cc2)CC1 598935 FDCWDCYSJSNMNL-QRQCRPRQSA-N 398.478 3.116 0 1 GGAF CCOc1ccccc1NC(=O)NC1(C(=O)NC[C@@H]2CCCO2)CCCCC1 4982014 UMAHSLSXCPVZAI-INIZCTEOSA-N 389.496 3.205 0 3 GGAF Cc1ccc(S(=O)(=O)c2nnn3c2nc(NC(C)C)c2sccc23)cc1 6859834 LKNRIXYDAGXEQL-UHFFFAOYSA-N 387.490 3.301 0 1 GGAF CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(N3CCNCC3)cn2)n1 58660608 ZGJLAVYYTJNBMN-UHFFFAOYSA-N 398.902 3.192 0 1 GGAF in-vitro NC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2ccc(Cl)cc2)O3)c1 61897888 HGYMXYGMSWNTGD-GOSISDBHSA-N 393.830 3.443 0 3 GGAF c1cc(N2CCN(c3ccc(C4OCCO4)cc3)CC2)ccc1C1OCCO1 26649989 VKOYKILEFXZPMW-UHFFFAOYSA-N 382.460 3.104 0 1 GGAF COC(=O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@](C)([C@H]1CC[C@H](O)C1)C2 2356546496 MPUAIANXFQMSHQ-FHGNATFXSA-N 387.259 3.451 0 1 GGAF COc1ccc(C(=O)N2C[C@H](F)[C@@H](OCc3nc4ccc(F)cc4[nH]3)C2)cc1 2356709927 AXXIBYVOSUYYRT-YJBOKZPZSA-N 387.386 3.090 0 1 GGAF COc1cccc(CNC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3c(=O)[nH]2)c1 40011864 NNLKQINFGFJMNL-QZTJIDSGSA-N 389.455 3.298 0 1 GGAF Cc1cccc(-c2nc(N3CCOCC3)ncc2C(=O)NCc2ccccc2)c1 82146415 BEWMISATIQYHDT-UHFFFAOYSA-N 388.471 3.219 0 1 GGAF Cn1c(-c2ccccc2)cnc1NC(=O)c1ccc2cc3n(c2c1)CCCNC3=O 147856316 HGVPYCRAEBQCJI-UHFFFAOYSA-N 399.454 3.428 0 1 GGAF O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2NC2CCCCC2)C1 140131821 DLAYFSLMEBYWKR-UHFFFAOYSA-N 376.464 3.337 0 1 GGAF Cc1cc2nc(CCNC(=O)c3ccc(-n4cnnc4)cc3Cl)[nH]c2cc1C 299862551 NJVLEGLTOBVEJO-UHFFFAOYSA-N 394.866 3.386 0 1 GGAF COC(=O)c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1OC 587178037 MQBIBPGIYALWRQ-UHFFFAOYSA-N 380.173 3.322 0 1 GGAF Nc1ncnc2[nH]c(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc12 587053536 DAMWCQPGWJOZKU-UHFFFAOYSA-N 387.230 3.119 0 1 GGAF COC(=O)c1ccc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2n1 586965162 FWEDIHMNNQLJAY-UHFFFAOYSA-N 394.460 3.141 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cncn2)(C2(Cl)CC2)N1 587695790 RTZKPRDHGIZGGD-QLJPJBMISA-N 399.695 3.381 0 1 GGAF CCOC(=O)[C@H]1CN(c2ccccc2)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587393376 HJGVBLWXNCKCDQ-WZONZLPQSA-N 394.471 3.371 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cnc(Cl)[nH]c-3n2)cc1 587043629 RXIYXLFBUDTYGL-ZDUSSCGKSA-N 389.868 3.244 0 1 GGAF COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 587584762 AJFJNSHEALIMBX-PXNSSMCTSA-N 377.352 3.277 0 1 GGAF CS(=O)(=O)Nc1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1 586950558 IUYUVWBPFMQXJV-UHFFFAOYSA-N 382.239 3.070 0 1 GGAF C[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1cccn1 587656194 HHAIOXYYOZBDNW-GFCCVEGCSA-N 380.354 3.440 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)OC(C)(C)C2)N1 587829336 BSZVEKGQHAYGMZ-XYZCENFISA-N 384.245 3.485 0 1 GGAF Cc1ccc2c(ccc3nc(CN(C)S(=O)(=O)c4ccc(F)cc4)[nH]c32)n1 587169612 FARRZDFRPGOPDP-UHFFFAOYSA-N 384.436 3.379 0 1 GGAF CCOC(=O)[C@H](C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(C)=O 587593500 DVWPALSLHFVLJM-LDJQZATESA-N 398.411 3.271 0 1 GGAF CCc1ccc2c(c1)[C@]1(C(=O)N2C)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962634684 WNRRKYYZUKFYSD-LFVRLGFBSA-N 380.488 3.363 0 1 GGAF C[C@H](C(=O)O)n1cc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c2ccccc21 962927271 PQJCYGBDYLNVMN-SZNDQCEHSA-N 391.471 3.224 0 1 GGAF O=C1Nc2ccc(C(=O)N[C@H](CCO)c3ccccc3)cc2/C1=C/c1ccc[nH]1 1772606803 OOPOAZORECVGSO-GRTQGXPSSA-N 387.439 3.361 0 1 GGAF COc1ncc(-c2ccccc2[C@@H]2CCCN(C(=O)c3cccnc3N)C2)cn1 1772615891 BQSDOBSCSFGUIP-OAHLLOKOSA-N 389.459 3.149 0 1 GGAF O=C(CN1C(=O)C[C@@H](c2ccccc2)Sc2ccccc21)N1CCOCC1 5052801 SGLJYPFGTNKFMD-IBGZPJMESA-N 382.485 3.116 0 1 GGAF CC(C)c1nc(C(=O)NCC2CCN(CC3CCOCC3)CC2)n2ccccc12 1857646613 VXNWKHWBZCYLAI-UHFFFAOYSA-N 398.551 3.326 0 1 GGAF COc1ccc([C@@H]2OC(=O)C[C@@H]2C(=O)NCc2ccccc2Cl)cc1OC 3030314 CSVRSLYFTBBXNB-LIRRHRJNSA-N 389.835 3.278 0 3 GGAF CC1=C[C@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 2356320399 DPPWNLYREVUJSK-OTWHNJEPSA-N 384.524 3.074 0 1 GGAF COc1ccc2[nH]c([S@](=O)Cc3ncc(C)c(N(C)C)c3Cl)nc2c1 3795853 CDLLZGWUOBVDER-VWLOTQADSA-N 378.885 3.302 0 1 GGAF COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@H]1Cc1nc2ccccc2nc1C3 59101704 VLSHFGLUPAUHAU-ZNSVGSLASA-N 387.483 3.257 0 1 GGAF O=C(O)Cc1ccc2c(c1)C[C@@H](CNS(=O)(=O)c1cccc3ccccc13)C2 27332523 UYTPIQWSIUBSPO-INIZCTEOSA-N 395.480 3.160 0 1 GGAF CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(OC)ccc2Br)CC1 61930225 NKGULKJMCQUUSP-GFCCVEGCSA-N 384.270 3.263 0 3 GGAF CN1CCN(c2nnc3n2-c2ccccc2C(c2ccccc2Cl)=NC3)CC1 39247029 LRKLEUUDHIEIBS-UHFFFAOYSA-N 392.894 3.024 0 1 GGAF CCc1nc(Cl)c([C@H]2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC(C)(C)C)[nH]1 38279682 MMRKDIJEBXWECN-AWEZNQCLSA-N 395.887 3.375 0 1 GGAF O=C(O)C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccccc21 73200142 AVNPCXVWJBWVNP-ZDUSSCGKSA-N 399.390 3.468 0 1 GGAF COc1cc(N[C@@H](C)CCCN2C(=O)CN(C(C)=O)C2(C)C)c2ncccc2c1 45255647 WQASVAWSPYVEOY-HNNXBMFYSA-N 398.507 3.251 0 1 GGAF CN(CCO)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 43120491 LFSBNTMFCXGIEC-UHFFFAOYSA-N 382.483 3.117 0 1 GGAF COCCN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCCC1 145225097 YQSGSRMFIFYPSJ-UHFFFAOYSA-N 394.479 3.391 0 1 GGAF C[C@]1(c2cc(Br)cc(NC(=O)c3ccno3)c2)CCSC(N)=N1 141704920 YLCKZEZNPMEAHS-OAHLLOKOSA-N 395.282 3.356 0 1 GGAF CCOC(=O)Cn1cnc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 299821287 CEPGUJSNEAINDU-UHFFFAOYSA-N 379.342 3.020 0 1 GGAF CC(C)N1CC[C@H](NC(=O)c2ccc(OC3CCN(C4CCC4)CC3)cc2)C1 653762987 UEGPAXKCFIYTOJ-IBGZPJMESA-N 385.552 3.295 0 1 GGAF CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCCCc2ccccc2)O1 2178319962 PUNKOZOXQPTHBL-UJWQCDCRSA-N 378.465 3.032 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)CC1(F)F)[C@@H](C2)C3=O 587424651 QZIPNLRKWOGELM-KPZWWZAWSA-N 381.375 3.067 0 1 GGAF N[C@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1ccc(Br)cc1 586996621 IGNIIRIVTSSWII-GFCCVEGCSA-N 378.201 3.405 0 1 GGAF COC(=O)C[C@]1(Cc2ccc(F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587385762 PVGNLRLHQDOWLY-FQEVSTJZSA-N 375.371 3.365 0 1 GGAF Oc1nncc2nc(-c3cccc(N=c4[nH]c(-c5ccccn5)cs4)c3)[nH]c12 587020672 DPBRMIFTMLZIMX-UHFFFAOYSA-N 387.428 3.410 0 1 GGAF CC(=O)Nc1cccc(Cc2nc3cc(I)cnc3[nH]2)c1 587242903 XYURVQJNTXZYFO-UHFFFAOYSA-N 392.200 3.112 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCC(O)CC4)cc1)[C@@H](C2)C3=O 587443238 LRXBKNWMHSDUTI-WMZHIEFXSA-N 379.456 3.319 0 1 GGAF COc1ccc(N2C(=O)[C@@H]3C[C@H]2CN3Cc2cccn2-c2nccs2)c(C)c1 12031382 ZLDKVVDFQBAJEB-LPHOPBHVSA-N 394.500 3.241 0 1 GGAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1nncs1 13559115 GTAMIOQLQSUNTQ-LBPRGKRZSA-N 384.502 3.011 0 1 GGAF Cc1cccnc1-n1c([S@](=O)Cc2ccccc2N(C)C)nc2c1CCC2 13746221 CNBCDCWXQWRYEP-MHZLTWQESA-N 380.517 3.438 0 1 GGAF COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 1379623 FZAUMTPNFBRMFY-OAHLLOKOSA-N 383.404 3.059 0 3 GGAF C[C@@H](CC(=O)N1CCc2ccccc2C1)CC1=NS(=O)(=O)c2ccccc2N1 4148386 QSWDGYOSYPWBHW-OAHLLOKOSA-N 397.500 3.201 0 1 GGAF COc1ccccc1CNc1cc(-c2cccc(NS(C)(=O)=O)c2)ncn1 4257446 RYVJYMUBDIPTHN-UHFFFAOYSA-N 384.461 3.136 0 1 GGAF C[C@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)NCCc4ccccc4)c3)C(=O)[C@H]12 4659903 ZXHQTJPZUUHPHZ-ORYQWCPZSA-N 388.467 3.361 0 1 GGAF Cc1cccc(N2CCN(C(=O)Cn3ccc4ccccc4c3=O)C[C@@H]2C)c1 6721927 MGZGMFKVJXTDLW-SFHVURJKSA-N 375.472 3.047 0 1 GGAF Cc1ccccc1CN1CCN(CC(=O)[C@](O)(c2ccccc2)C2CCC2)CC1 22940384 AEMMCUXFNWMHGP-VWLOTQADSA-N 392.543 3.370 0 1 GGAF CCCC[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@@H](C)C(=C6OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 2356402323 DTVYAHOULQCSMS-IMKXEIRVSA-N 387.476 3.090 0 1 GGAF COc1cc(Cc2c(N)nc(N)nc2Oc2ccccc2)cc(OC)c1OC 27621120 AMVOHNNCORBORP-UHFFFAOYSA-N 382.420 3.050 0 1 GGAF S=c1[nH]nc(Cc2nc(-c3cnccn3)no2)n1CCCc1ccccc1 64503530 MGMGHONEOGWAKB-UHFFFAOYSA-N 379.449 3.004 0 1 GGAF CCN(CC)C(=O)c1ccc([C@@H](c2ccc(OC)cc2)N2CCNCC2)cc1 22939794 BKLZDRDOQQEQOQ-QFIPXVFZSA-N 381.520 3.172 0 1 GGAF COc1cc([C@@H]2c3cc4c(cc3C[C@@H]3COC[C@H]32)OCO4)cc(OC)c1OC 2356655241 CKUGPDQJERTFDI-IUSZMWJPSA-N 384.428 3.392 0 1 GGAF Oc1c2c(nn1-c1ccc(Cl)cc1)[C@@H]1CN(Cc3ccncc3)CC[C@@H]1N=C2 36088251 LDXAQEAQNGTFAB-MOPGFXCFSA-N 393.878 3.417 0 1 GGAF CCCCC/C=C\C/C=C\C/C=C\C[C@H](O)[C@@H](O)CCCC(=O)NCCO 34961986 BQQNTPYZRYHULM-GDDFJHIESA-N 381.557 3.406 0 1 GGAF CC(=O)NCCNc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccccc2)n1 82132790 XHXHGVGCFVALNA-BEFAXECRSA-N 395.507 3.000 0 1 GGAF N[C@H](COc1cncc(NC(=O)c2ccncc2)c1)Cc1c[nH]c2ccccc12 45289188 RTFVZNXCTOPUGS-KRWDZBQOSA-N 387.443 3.159 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3nc(-c4ccccc4)no3)C2)cc1 142316189 FENFWBDJVAFUJG-AWEZNQCLSA-N 378.432 3.201 0 1 GGAF CCCNC(=O)N1[C@H](CNC(=O)CC)[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CO 95895375 WDWRNSXHAWCLRQ-RZUBCFFCSA-N 399.535 3.028 0 1 GGAF CC(=O)c1c[nH]c2ccc(-c3cn[nH]c3)nc2c1=N[C@H]1CC[C@H](CN(C)C)CC1 473213513 WEXLLFSLHVKYLS-JCNLHEQBSA-N 392.507 3.177 0 1 GGAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1[C@@H](CN[C@@H]1C(=O)O)C4)-c1ccccc1C2=O 587097002 NIEFJPCGITUYKM-JJJFATQHSA-N 384.435 3.142 0 1 GGAF CS(=O)(=O)[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587605816 FGPLPQUIWKHJFC-FUHIMQAGSA-N 388.441 3.080 0 1 GGAF CCOc1cc(/C=C/c2nc3c[nH]c(=N)[nH]c-3n2)cc(Br)c1OC 586976822 CAIQUDXJHNLMQG-SNAWJCMRSA-N 390.241 3.057 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nc(C)cc1C 587868740 RBSWQFKHBYBLPE-UHFFFAOYSA-N 379.342 3.126 0 1 GGAF CN(C)S(=O)(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587079668 JZLWXZJLLAVBLL-UHFFFAOYSA-N 388.880 3.470 0 1 GGAF CCn1cc(Br)c(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)n1 587000315 LKEDGMVOMHWFAO-UHFFFAOYSA-N 392.301 3.073 0 1 GGAF CN1[C@@H]2COC[C@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334604 FOJGLTMVAICAMV-HRSBRNJNSA-N 383.419 3.122 0 1 GGAF COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587797947 UAJZUAGDTHNCFM-DYBLOJMWSA-N 391.240 3.327 0 1 GGAF COc1cc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cnc1Cl 962972374 UQGYSIOIOFIMMS-HZMBPMFUSA-N 389.185 3.364 0 1 GGAF COc1cc2c3c(c1OC)-c1ccccc1[C@H](OC(C)=O)[C@@H]3N(C(C)=O)CC2 14635287 LHFZBPLGDRPNMH-RTWAWAEBSA-N 381.428 3.434 0 1 GGAF biogenic CCN(CC)CCn1c(Cn2nnc3ccccc32)nc2cc(C(C)=O)ccc21 34083598 CSUDVXDXBMREDO-UHFFFAOYSA-N 390.491 3.374 0 1 GGAF CC=C(C)C=CC(=O)N[C@H](C(=O)O[C@H](C)[C@H](C)C(=O)O)[C@H](C)c1ccccc1 2356400287 VVPVXDHEFAYPAR-XLSPSMHOSA-N 387.476 3.450 0 1 GGAF CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)O)c3ccccc3C(=O)N1CC2 2456089 ZHHWIEMJMXQFCH-WOJBJXKFSA-N 381.428 3.405 0 1 GGAF O=C(Nc1ccccc1)N1CCC2(CC1)CCN(C(=O)c1csnn1)CC2 4238087 KRUKIRYGXUKEHU-UHFFFAOYSA-N 385.493 3.088 0 1 GGAF CC[C@@H]1CCCCN1CCCNC(=O)Cn1c(=O)c2cccn2c2ccccc21 6782332 IIGVEYISHHMKCX-GOSISDBHSA-N 394.519 3.025 0 3 GGAF CC1=C[C@@H]2[C@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(NC(=S)NCc3ccccc3)C(=O)[C@H]21 101881032 DXHRWRQLRWGVBH-NTZUZEMLSA-N 397.544 3.035 0 1 GGAF CCOC(=O)c1c(NC[C@H](O)c2ccccc2)c2ccc(C)nc2n(CC)c1=O 26383154 HQDIQAOUWJCDEG-KRWDZBQOSA-N 395.459 3.047 0 1 GGAF O=C1CN(C[C@H]2CCCO2)C(=O)CN1CCC(c1ccccc1)c1ccccc1 28641733 YCZYEUHLVWJNNK-OAQYLSRUSA-N 392.499 3.058 0 1 GGAF COc1ccccc1CCNC[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@]3(C)[C@H](O)[C@H]21 504517463 XTTGKVUTQFWVDF-BGPSZONESA-N 399.531 3.112 0 1 GGAF biogenic NS(=O)(=O)NCCCCCCC(=O)Nc1cccc(-c2ccccc2)c1 40898066 UXDJKUKDKAJKLY-UHFFFAOYSA-N 375.494 3.036 0 1 GGAF CCCc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCNC(C)=O 82188754 JBZCDJULRNHINT-HNNXBMFYSA-N 380.496 3.131 0 1 GGAF CN(C)CCNc1nc(-c2ccncc2)nc2c(Br)csc12 223660564 BXWOWCQKRVVZFQ-UHFFFAOYSA-N 378.299 3.489 0 1 GGAF COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4C3CCC3)n2)CC1 222714659 ZZSGWKOZQAXJQS-UHFFFAOYSA-N 379.468 3.305 0 1 GGAF C[C@H]1CCCCN1S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 95592601 VGFCMULUCZSZNU-AWEZNQCLSA-N 384.457 3.050 0 1 GGAF COc1ccc(-c2cc(CNC(=O)[C@H](OC)c3ccccc3)on2)cc1OC 621429882 CZQVHUCJXPNYNA-HXUWFJFHSA-N 382.416 3.363 0 1 GGAF COc1nc(-c2cccc3cnccc23)nc(=NCCc2ccc(F)cc2)[nH]1 473179543 PUYZFQKWHPXRFJ-UHFFFAOYSA-N 375.407 3.311 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc3c2NCCO3)N1 587793759 KXHIQHQYEPBNSE-XLFHBGCDSA-N 378.245 3.411 0 1 GGAF CN(C)CCOc1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587154060 CDPUWMPWLJQQOS-OAQYLSRUSA-N 382.439 3.434 0 1 GGAF CCS(=O)(=O)c1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1 587116625 JRBUHYGJKLKZGF-UHFFFAOYSA-N 392.790 3.429 0 1 GGAF CCOC(=O)c1cc(Br)c2[nH]c(-c3c(N)cccc3O)nc2c1 587250764 RFTNMDGZVFIGCE-UHFFFAOYSA-N 376.210 3.457 0 1 GGAF COc1cccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c12 587183052 UPXIHWWTSOJCND-SECBINFHSA-N 382.205 3.290 0 1 GGAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 587050688 ZTWQIUXJIUXZBK-UHFFFAOYSA-N 392.868 3.125 0 1 GGAF CCS(=O)(=O)c1ccc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2c1 587928179 XLZYXHGPPZBCDI-UHFFFAOYSA-N 376.434 3.049 0 1 GGAF COc1cc(Br)c([C@H](N)c2nc3cc(Cl)ncc3[nH]2)cc1OC 586974554 DPNMPLNXNWZQCN-AWEZNQCLSA-N 397.660 3.439 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C(C(=O)O)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O 587423044 SUFIXLYTAIBOLK-RBZFPXEDSA-N 384.771 3.352 0 1 GGAF Cc1ccnc(NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)n1 587622807 HEVCDLQAOQJGIP-UHFFFAOYSA-N 385.225 3.466 0 1 GGAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](c2cccc(F)c2)(c2ncco2)N1 963226459 DVCCUIYNBYJVRM-KNQAVFIVSA-N 389.386 3.253 0 1 GGAF CC1=C([C@@]2(C)NC3(CC3)Cc3ccc(Br)cc32)CN2NN=NC2=N1 961315352 BQSJVTLZTORUEZ-INIZCTEOSA-N 387.285 3.174 0 1 GGAF CN1[C@@H]2COC[C@H]1C[C@@H](OC(=O)c1cn(-c3ccccn3)c3ccccc13)C2 1772639363 MVVLBJAZRQAGET-BJWYYQGGSA-N 377.444 3.044 0 1 GGAF CS(=O)(=O)N1CC=C(c2[nH]c3nccc4c3c2COc2ccc(F)cc2-4)CC1 1772641286 MLJOUDSMTMFDIF-UHFFFAOYSA-N 399.447 3.310 0 1 GGAF COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1O[C@@H]1CCCN(C)C1 169304220 XDFRQZJECBVMRQ-MRXNPFEDSA-N 387.480 3.210 0 3 GGAF COCCCOc1cccc([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1 169726014 YBDNSPCVDPDNBZ-ZWKOTPCHSA-N 380.469 3.333 0 1 GGAF O=C1CCCN1Cc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1 164837065 BSASDAZLMTZIGJ-UHFFFAOYSA-N 376.395 3.277 0 1 GGAF NC(=O)c1ccc2c(-c3ccnc(NC4CC4)n3)c(-c3ccc(F)cc3)nn2c1 594281 IBFGKUPEGDQOTP-UHFFFAOYSA-N 388.406 3.271 0 1 GGAF Cc1cccc(NC(=O)C2=CC3=N[C@H](C4CC4)C[C@H](C(F)(F)F)N3N2)c1C 104008482 NKLOGPYPQNYXFM-GOEBONIOSA-N 378.398 3.458 0 3 GGAF O=C(N[C@@H]1C=CC[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21)OCc1ccccc1 102964220 FJNBWKYPMHKHAW-OTWHNJEPSA-N 376.412 3.047 0 1 GGAF Cc1ccc([C@@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nnc(C)s2)cc1 110734589 XYXQFIDWDSKQHJ-LSDHHAIUSA-N 397.481 3.373 0 1 GGAF O=C1c2ccccc2[C@@]2(CC(O)=NC2=O)N1Cc1ccc(Br)cc1 27523456 YYCOTDIZDQHPKL-GOSISDBHSA-N 385.217 3.187 0 1 GGAF CCCCC[C@](C)(O)C=C[C@H]1[C@H](CC=C=CCCC(=O)OC)[C@H](O)C[C@H]1O 2356756721 GNIYHUSSKSFYBD-ILRMOXKASA-N 380.525 3.286 0 1 GGAF COc1ccc2cc(-c3nc4ccccn4c3NC[C@H]3CCCO3)c(=O)[nH]c2c1 35310850 HCXPEUCHELEHCT-MRXNPFEDSA-N 390.443 3.442 0 1 GGAF Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc([C@@]3(F)CCCNC3)n2)n1 224884801 RFEQCBHECCTMEH-OAQYLSRUSA-N 389.438 3.129 0 1 GGAF C=C1C[C@@](C)(c2cc(NC(=O)c3ccc(C#N)cn3)cnc2C)N=C(N)S1 147123877 NJBVRLDZHOHVRB-IBGZPJMESA-N 378.461 3.090 0 1 GGAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2CCC[C@@H]2O)cn1 141315809 UDGOBDSFWBJVTE-OALUTQOASA-N 393.443 3.267 0 1 GGAF NC(=O)c1ccc(N[C@H]2CNCC[C@H]2c2ccc(F)c(Cl)c2)c2cncnc12 143834353 DMKGGPGYGHAZLX-SGTLLEGYSA-N 399.857 3.079 0 1 GGAF CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(C)cc4)cc3)[C@H]2C1 95873939 ZFJSDRDQKLPFMQ-WXFUMESZSA-N 378.516 3.433 0 1 GGAF COc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)c(C)c1 96910136 MRBSHEHZGHRREW-UHFFFAOYSA-N 389.463 3.027 0 1 GGAF O=C(Nc1cccc(Cl)c1)c1ccc(OCCCN2CCOCC2)cc1O 261138250 MOHICSQIFBMWEE-UHFFFAOYSA-N 390.867 3.399 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](O)c3cccc(N)c32)N1 587746276 LVJVIAHXSHWRGH-WZPYMONGSA-N 377.257 3.385 0 1 GGAF COCc1nnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)s1 587656936 MOGHUHARZUWHJS-UHFFFAOYSA-N 386.383 3.329 0 1 GGAF CC1=C(c2ccc3nc(-c4cnc5c(F)cccc5c4N)[nH]c3c2)NNC(=O)C1 587176487 MPQFQOPHOULGSZ-UHFFFAOYSA-N 388.406 3.255 0 1 GGAF CCOC(=O)/C(=C\N(C)C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587757286 UGPAHAGWKPUWRH-YKDGBDNPSA-N 385.277 3.172 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3c(c2)OCCN3C)N1 587774441 NPZWIAIEZJGARI-BTDLBPIBSA-N 392.272 3.435 0 1 GGAF COC(=O)[C@@H]1CC[C@@]2(C1)N[C@@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963200043 WZFPYBJYMANKSK-RDGWCUKFSA-N 391.773 3.126 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cc(Br)cc(C=O)c1)NCC2 962933235 SVYLBLUTXIPXKY-SFHVURJKSA-N 387.277 3.199 0 1 GGAF COc1ccc(CNC2=Nc3ccncc3S(=O)(=O)N2c2ccccc2)cc1 5853879 ZHJJILKMQWVXSV-UHFFFAOYSA-N 394.456 3.076 0 1 GGAF COc1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1O 13862163 KWFDCBRCBBVNOW-UHFFFAOYSA-N 390.391 3.300 0 1 GGAF Fc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(NC4CNC4)n3)c2c1 150052394 DAJUQGQQWWXBPE-UHFFFAOYSA-N 378.386 3.349 0 1 GGAF CC(C)[C@H](CO)NCc1nc(-c2ccc(C(=O)N3CCCC3)cc2)ccc1F 204407837 CCNWDGLIQMPVOV-NRFANRHFSA-N 385.483 3.230 0 1 GGAF COc1cc(-c2nc3ccc(NC(=O)c4ccco4)cn3n2)cc(OC)c1OC 1857576687 HXUUANDGXDJXFV-UHFFFAOYSA-N 394.387 3.267 0 1 GGAF CCCN1CC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(C=O)cc2)C1=O 1857609056 BHDGTKIPPFVMJR-UHFFFAOYSA-N 383.469 3.066 0 1 GGAF CCc1ccc([C@H]2C[C@H](c3cc(OC)c(OC)c(OC)c3)n3nnnc3N2)cc1 2915467 QGFYODCYXWBQNB-IAGOWNOFSA-N 395.463 3.408 0 1 GGAF O=C(NCc1ccc(Cl)cc1)c1cc(=O)nc2sc(-c3ccccc3)nn12 3030374 ZBOBLWFBCQZFJY-UHFFFAOYSA-N 396.859 3.401 0 3 GGAF Cc1cccc(C)c1NC(=O)CCS(=O)(=O)c1cccc2nsnc12 3665182 AMHWKDDQEULABD-UHFFFAOYSA-N 375.475 3.111 0 3 GGAF COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 4819509 FWUWJAIPWDUCBA-ILWKUFEGSA-N 388.423 3.259 0 1 GGAF CC[C@@H]1CCCCN1CCCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 7991325 SJUBCWSKONYPMV-NHCUHLMSSA-N 385.552 3.257 0 3 GGAF CCc1ccccc1SCc1noc(C(=O)NC[C@H]2CCCO2)c1C(=O)O 8691345 XSMALCMSPICWAH-CYBMUJFWSA-N 390.461 3.136 0 3 GGAF Cc1c(SC2CCCCC2)n(COCNc2ccccc2)c(=O)[nH]c1=O 28126056 FHXJJLHJBULAPI-UHFFFAOYSA-N 375.494 3.314 0 1 GGAF CN(C)C(=O)c1cc2cc(F)cc(N3CCN(CCc4ccccn4)CC3)c2o1 114868424 LKUIEJVJQNPDKO-UHFFFAOYSA-N 396.466 3.033 0 1 GGAF CC=C1CN2[C@H](C(=O)O)Cc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](C)C(=O)OC 2356475476 FDYRVJVOEPEUJZ-GEAQGZNASA-N 382.460 3.296 0 1 GGAF CC=C(NC(=O)C[C@H](CCCCC)NC(=O)[C@H](C)[C@@H](N)CCCCC)C(=O)O 2356696592 HBLQRZAKYHYRIC-IKGGRYGDSA-N 397.560 3.090 0 1 GGAF CC1(C)CC[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)[C@@H]3C(=C[C@H](O)[C@@H]12)CO[C@@H]3O 2356746388 RPWLIMQSJINJKC-ZPOOQCFYSA-N 398.499 3.320 0 1 GGAF CC=CC=CC=CC(=O)O[C@@H]1C=C2CO[C@H](O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 2356764344 BIBMODCOJDZAGU-ATPUAQIGSA-N 388.504 3.439 0 1 GGAF O=C(N[C@@H](COCc1ccccc1)C(=O)O)c1csc(-c2ccccc2)n1 82074169 VRKWJCIGYNYRNL-INIZCTEOSA-N 382.441 3.210 0 1 GGAF Cn1cc(-c2cc(S(=O)(=O)c3ccccc3)cc3c4c(oc23)CCNC4)cn1 147556539 HZTQBWDPWXFWOW-UHFFFAOYSA-N 393.468 3.312 0 1 GGAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2OC2CCCC2)c2cc[nH]c2c1=O 146355772 ZTTMRIMCXYVCLT-UHFFFAOYSA-N 386.473 3.259 0 1 GGAF CCc1nn(-c2ccccc2)c2cc(N3CC[C@@H](N4CCNCC4)C3)ccc12 147348734 FIAHPLXXCQXTEA-HXUWFJFHSA-N 375.520 3.072 0 1 GGAF 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YNRXCFMDHIDMSG-UPQHMETBSA-N 393.409 3.076 0 1 GGAF O=C(Cc1ccccc1Br)Oc1ccc2c(c1)OS(=O)(=O)C=C2 96914787 YYTIYHOTAWNLMX-UHFFFAOYSA-N 395.230 3.290 0 1 GGAF O=c1c2cc(OCCCN3CCc4ccccc4C3)ccc2nc2n1CCC2 299829948 NAWSEIOAWKWGFQ-UHFFFAOYSA-N 375.472 3.170 0 1 GGAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc2nncn12 587585717 HEOSPSQWJCEZNE-UTKZUKDTSA-N 388.383 3.015 0 1 GGAF Nc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1N 587171503 QQLNHXOSRMKBGV-UHFFFAOYSA-N 397.435 3.334 0 1 GGAF CC(=O)c1cnn(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587765273 SEUNLQJWDCQNMK-HUTHGQBESA-N 380.261 3.322 0 1 GGAF CCCN=c1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 587568299 BIWQRCPNZXDJRF-PXNSSMCTSA-N 377.400 3.129 0 1 GGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(OC)c(OC)cc3[nH]2)c1 586929813 ARHMNSUCZKYZFG-UHFFFAOYSA-N 389.477 3.278 0 1 GGAF COc1cc(C)c(OC)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 587944569 DQBSTEKWJWJANU-UHFFFAOYSA-N 388.424 3.273 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)cc(F)c12 587567043 BNLIUBRZCMOURY-UTKZUKDTSA-N 395.317 3.480 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](Cn1cc(C(=O)O)nn1)(C(C)(C)C)CC2=O 587482084 ZCDSPXVTDXUTAC-FQEVSTJZSA-N 387.436 3.085 0 1 GGAF COC(=O)c1ccc2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587524212 KSPSCTLYCMOMQR-QFIPXVFZSA-N 377.396 3.165 0 1 GGAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@]3(CCCC[C@H]3CCCO)N12 962672598 UJEPFDPWKVIMBX-JJEOQYAHSA-N 382.504 3.491 0 1 GGAF CCOC(=O)C(C)(C)[C@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962709619 QWRCLPREDCQYRB-SUMWQHHRSA-N 391.361 3.248 0 1 GGAF O=C(Nc1ccc(C(=O)N2CC[C@]3(CCCN3)C2)cc1)N1Cc2ccccc2C1 167269524 ONVOUVMUYDDRRC-HSZRJFAPSA-N 390.487 3.202 0 1 GGAF CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(Cl)c(F)c2)Cc2ccccc21 1857545210 RGMRNGJZNJWZEO-LBPRGKRZSA-N 382.844 3.056 0 1 GGAF CCCCCc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1 1857582556 XCPILSPLTNVGII-UHFFFAOYSA-N 398.507 3.464 0 1 GGAF Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1 4001697 YOIGDNQMUUNNLE-SJCJKPOMSA-N 391.493 3.401 0 3 GGAF O=C(Nc1ccccc1)N1CCCC2(CCN(C(=O)c3cnccn3)CC2)C1 4237986 JONYIVSEGPNSON-UHFFFAOYSA-N 379.464 3.027 0 1 GGAF O=C(NC(=O)c1ccccc1)NC1CCN(CCCC(=O)c2ccccc2)CC1 27987751 HOPGKMZNMVMDLU-UHFFFAOYSA-N 393.487 3.254 0 1 GGAF COc1ccc(-c2noc(C(=O)N(C)CCc3ccccn3)c2[C@@H](C)O)cc1 2356298041 OKIQUGUBXWUWFS-CQSZACIVSA-N 381.432 3.113 0 1 GGAF CO/C=C(/C(=O)OC)c1cc(Cl)ccc1Cn1cc(-c2ccccc2N)nn1 28822389 LZWHPRAFVGHRSM-SFQUDFHCSA-N 398.850 3.389 0 1 GGAF NC1=N[C@](c2cccc(NC(=O)c3ccc(Cl)cn3)c2)(C(F)(F)F)COC1 117498642 KBYCQYPXPIXAHW-MRXNPFEDSA-N 398.772 3.132 0 1 GGAF COc1ccc(CN2C=CC=C3C2=Nc2ccccc2S(=O)(=O)N3C)cc1 28637523 PJLKARIHFWKDCG-UHFFFAOYSA-N 381.457 3.273 0 1 GGAF O=C(O)C[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356318578 BYUGCKVEHVFTMB-JKSUJKDBSA-N 395.434 3.498 0 1 GGAF CC1(C)OC(=O)C2(C(=O)O1)[C@H](c1ccc(F)cc1)CC(=O)C[C@@H]2c1ccco1 28893302 ULPATQBBMPXXRQ-JKSUJKDBSA-N 386.375 3.472 0 1 GGAF CC1(C)OC(=O)C(Oc2ccc(F)cc2F)=C1c1ccc(S(C)(=O)=O)cc1 26941324 VGLWOZUXEPKTLV-UHFFFAOYSA-N 394.395 3.494 0 1 GGAF Cc1noc(NS(=O)(=O)c2cccc(Br)c2)c1Br 26474642 PDGKPKFRBQINFM-UHFFFAOYSA-N 396.060 3.309 0 1 GGAF CC(C)CN1C[C@H](COCc2ccccc2)Oc2ccccc2S1(=O)=O 61944821 DDIKUQZUDVHORZ-GOSISDBHSA-N 375.490 3.311 0 3 GGAF CCNC(=O)c1ccc(-c2ccc3ncnc(NCCc4c[nH]cn4)c3c2)o1 66123882 UBPCFYCKQGLGCC-UHFFFAOYSA-N 376.420 3.017 0 1 GGAF CCO[C@H](C)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 36221102 YLGFGFSODXCCQV-LJQIBOGVSA-N 397.515 3.038 0 1 GGAF O=C1CCc2ccc(OCCCN3CCN(Cc4ccccc4)CC3)cc2N1 39333989 RRBYJBJQLCHSIT-UHFFFAOYSA-N 379.504 3.158 0 1 GGAF C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C 45259258 NAUPLVVOKAWHQB-CVEARBPZSA-N 386.879 3.480 0 1 GGAF O=C(NCCN1CCOCC1)c1ccc(-c2c(O)ccc3ccccc23)cc1 84724784 MQRMUEVIQDAAEW-UHFFFAOYSA-N 376.456 3.274 0 1 GGAF NC(=O)c1ccc(N[C@@H]2CNC[C@@H]2c2ccc3cccnc3c2)c2cccnc12 143804557 YBUGOFPWLGAQNY-WIYYLYMNSA-N 383.455 3.049 0 1 GGAF Cc1cc(C(=O)NCCCCO)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F 144807516 RSSKHDQQUJMHDA-LJQANCHMSA-N 379.378 3.276 0 1 GGAF CC(=O)N1[C@H](CN(C(=O)c2cccc(F)c2)C(C)C)[C@H](c2ccccc2)[C@@H]1CO 95895433 USOTUYHXXLHJHR-FSSWDIPSSA-N 398.478 3.052 0 1 GGAF CC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)NC(C)C 95895070 FBEAZEFQULRAGL-BHDDXSALSA-N 399.535 3.027 0 1 GGAF CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1O[C@H]1CCCCO1 253793558 XMUNEJRPCVXODW-DBVUQKKJSA-N 388.416 3.480 0 1 GGAF NC1CCN(c2nc(N=c3cc(-c4ccccc4)[nH][nH]3)c3sccc3n2)CC1 473169791 NZPFOLFZDZABEC-UHFFFAOYSA-N 391.504 3.174 0 1 GGAF CC(=O)OC[C@](O)([C@@H](O)CO)[C@@H]1C[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@@]32C)C1 473090420 OVDONPAXHCFZKS-NZKLXDHZSA-N 396.568 3.293 0 1 GGAF CCn1cc(-c2csc(N)n2)c(=O)c2cc(N3CCOCC3)c(Cl)cc21 653870733 NXGGLVUZHQQGED-UHFFFAOYSA-N 390.896 3.217 0 1 GGAF COC(=O)c1cc(OC)n(-c2cc(F)c(Br)cc2F)c1OC 587944035 XAYMRJDVFQWPNY-UHFFFAOYSA-N 376.153 3.322 0 1 GGAF CCOC(=O)[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587775345 ZIGZEHYLFVZSHJ-ADLMAVQZSA-N 393.256 3.324 0 1 GGAF COc1cccc2c1NC(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587797427 WZEFCYCUOPSSLM-DYBLOJMWSA-N 391.240 3.327 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2cnccn2)c1 587583169 UHFNAXJCHCTZHM-NQIIRXRSSA-N 386.367 3.071 0 1 GGAF C[C@@]1(c2ncc(C(=O)O)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613037 NCQHUQHJUPZOAM-IFXJQAMLSA-N 383.381 3.424 0 1 GGAF Cc1cc(-n2ncc3ccc(Cl)cc3c2=O)c(Cl)cc1S(C)(=O)=O 587654895 PMRRLJMUYDJTPC-UHFFFAOYSA-N 383.256 3.404 0 1 GGAF O=C(O)CCC[C@@]1(c2cccs2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963231504 MTXGPZBABUPZSA-LAUBAEHRSA-N 396.468 3.394 0 1 GGAF CCC(=O)N1CC[C@H](Oc2ncnc3ccc(-c4ccc(OC)nc4)cc23)C1 1772613713 MFERHFDJHINZES-INIZCTEOSA-N 378.432 3.090 0 1 GGAF COc1cccc(CN2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2=O)c1OC 11821231 SIIYHYBXCTXFAJ-QHCPKHFHSA-N 395.503 3.114 0 1 GGAF COc1cc(-c2nc3c4cc(Cl)ccc4nc(O)n3n2)cc(OC)c1OC 13860983 DSLGYAHYAMJKBQ-UHFFFAOYSA-N 386.795 3.329 0 1 GGAF COc1ccc(C[C@H]2CO[C@@H](O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC 14642321 YSJWRVMJZYIPHE-GSHUGGBRSA-N 388.460 3.087 0 1 GGAF CCOc1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1OC 169709330 XISRQOUOHCLNTQ-HNAYVOBHSA-N 399.491 3.344 0 1 GGAF C[C@]12CC[C@@H]3[C@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCOCC1 169714124 KHIHAGSEMMQNCV-IBEPOWJWSA-N 386.536 3.118 0 1 GGAF Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(Cl)cc3)C(=O)C[C@H]12 206390336 USWWYYQVHADSRE-INIZCTEOSA-N 382.847 3.296 0 3 GGAF CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 772447 PWRDJVUJJWLJRD-NVXWUHKLSA-N 376.840 3.160 0 1 GGAF CCCC[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@H](C)C(=C6OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 2356402325 DTVYAHOULQCSMS-WOXXVCHASA-N 387.476 3.090 0 1 GGAF CCOc1cccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NCCO)c1 2480999 KTIRKJFQBMZPAP-UHFFFAOYSA-N 382.416 3.138 0 1 GGAF C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4054519 KEOIJLXDGIJWID-QMIHWGKISA-N 385.895 3.498 0 1 GGAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCc2c1ccc(F)c2N1CCOCC1 28964848 JYYDBVOVDJIMDV-SFHVURJKSA-N 395.438 3.348 0 1 GGAF CN1C(=N)N[C@](c2cccc(NC(=O)c3ccco3)c2)(C2CCCCC2)C1=O 34950039 JSEJOHYXWOWWPR-NRFANRHFSA-N 380.448 3.304 0 1 GGAF COC(=O)c1ccc2c(c1)c1c(n2CCCNS(=O)(=O)C(C)C)CCCC1 73166680 LWVBQLHGGKAIEP-UHFFFAOYSA-N 392.521 3.025 0 1 GGAF Cc1noc(C)c1-c1ccc2c(c1)[C@](c1ccccc1)(N1CCNCC1)C(=O)N2 219377392 IPVRGYVWHTWOHB-QHCPKHFHSA-N 388.471 3.059 0 1 GGAF NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 84654042 HRNVEWJUAQCSBZ-UHFFFAOYSA-N 376.221 3.220 0 1 GGAF CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)NCc2ccco2)cs1 82073802 YJTMSIDUXVBAPP-UHFFFAOYSA-N 399.472 3.190 0 1 GGAF CCOC(=O)C1=C(Nc2ccccc2OC)N=C(c2ccccc2)N2CCN=C12 45298742 FHCHGAMZHDSCEX-UHFFFAOYSA-N 390.443 3.056 0 1 GGAF CC(=O)NCCn1c(-c2ccsc2)nc2c(NCc3ccccc3)ncnc21 82178432 GJBWBDKHMMJYGJ-UHFFFAOYSA-N 392.488 3.303 0 1 GGAF CCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@H](c1ccccc1)CN2 82224389 PBHNKEQOOGTTLC-INIZCTEOSA-N 382.489 3.109 0 1 GGAF O=C(CCc1nnc2sc(-c3ccc(O)cc3)nn12)c1nc2ccccc2[nH]1 95589469 GZNGEIMGQWSZPN-UHFFFAOYSA-N 390.428 3.250 0 1 GGAF CCN(CCO)C(=O)c1cc2cccnn2c1-c1cccc(C(F)(F)F)c1 95553285 UCJMDMYGVGENKA-UHFFFAOYSA-N 377.366 3.475 0 1 GGAF O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnccn1)CC2 96285060 CCGWDYLPWSYNLM-UHFFFAOYSA-N 375.476 3.367 0 1 GGAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccccc1OC 299839087 PUIBHNOFFHNATC-UHFFFAOYSA-N 379.796 3.118 0 1 GGAF Fc1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)nc1Br 587156136 VYCGLHQVMLMBJC-UHFFFAOYSA-N 391.244 3.359 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cccc1S(C)(=O)=O)[C@@H](C2)C3=O 587448713 MDZHPPVCZZWRFK-VOJFVSQTSA-N 378.833 3.241 0 1 GGAF NNc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587657274 SYEWRINBVJROGY-UHFFFAOYSA-N 392.365 3.316 0 1 GGAF OCc1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586969852 OYQFHVRMPFNQMI-UHFFFAOYSA-N 382.401 3.126 0 1 GGAF CCc1ccc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1Br 586978283 ZENFPOIIHZQITG-UHFFFAOYSA-N 380.267 3.202 0 1 GGAF CCOC(=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587008275 KVFJNPHLYQWMKP-UHFFFAOYSA-N 386.209 3.212 0 1 GGAF COc1ccccc1-c1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O 587940057 IDLPVUXRLAKWGU-UHFFFAOYSA-N 377.194 3.015 0 1 GGAF CCOC(=O)COc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587439696 MLEYOCGDRXMJNU-IVZQSRNASA-N 398.411 3.134 0 1 GGAF COc1ccc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600144 LTAXHCNQGVRTAW-XMSQKQJNSA-N 392.363 3.343 0 1 GGAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccnc(O)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587239159 ISIRFEKMPKLPFR-CJAGKMTESA-N 388.468 3.219 0 1 GGAF c1ccc([C@]2([C@H]3CCNC3)c3ccsc3CCN2Cc2cccnc2)nc1 962996230 HRRSQMOQKLXDRT-AVRDEDQJSA-N 376.529 3.450 0 1 GGAF O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1 13560111 ATIJQZLSMDZBIR-UHFFFAOYSA-N 389.927 3.171 0 1 GGAF COC(=O)c1ccc(CNCC[C@@H]2CCC(=O)N2C2Cc3ccccc3C2)cc1 14957028 XWCDNDLFYDHXHD-NRFANRHFSA-N 392.499 3.111 0 1 GGAF CCOc1cc2c(cc1C(=O)N(C)C)[nH]c(=O)c1cnc(C3CCCCC3)n12 201421216 UMWUUQQFTIUJRG-UHFFFAOYSA-N 382.464 3.324 0 1 GGAF COc1ccc(Nc2cc(-c3ccc(C(=O)O)cc3)nn3ccnc23)nc1OC 207361590 PKHBCONBODBTHI-UHFFFAOYSA-N 391.387 3.250 0 1 GGAF O=c1oc(-c2ccccc2)nn1CCCCN1CCN(c2ccc(F)cc2)CC1 1857607711 IOAXVKXNLDSFFC-UHFFFAOYSA-N 396.466 3.245 0 1 GGAF COc1ccc2c(c1)c(C=O)c1n2CCN2C(=O)c3cc(F)ccc3N(C)[C@H]12 221984983 VJQPIWKUMIBLOY-FQEVSTJZSA-N 379.391 3.206 0 1 GGAF Cn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(=O)n(C)c3ccccc3c21 4938720 BQHBMBRIUAUPKU-UHFFFAOYSA-N 375.384 3.011 0 3 GGAF aggregator COc1c(OCC(F)(F)F)ccnc1C[S@](=O)c1nc2cscc2[nH]1 8462257 GXXVNXSXPJGZGT-RUZDIDTESA-N 391.396 3.277 0 1 GGAF Cn1c(SCC(=O)NCc2ccccc2)nc2c3ccccc3nc-2c1O 100705157 GVUFAVRCJCEOOR-UHFFFAOYSA-N 378.457 3.187 0 1 GGAF c1cncc(-c2ccc([C@H]3[C@H]4CN(Cc5ccc6c(c5)OCO6)C[C@@H]3N4)cc2)c1 100109198 WBGXRZPLVSELSO-RMNGQBEXSA-N 385.467 3.417 0 1 GGAF COc1cc([C@H]2c3cc4c(cc3C[C@H]3COC[C@H]23)OCO4)cc(OC)c1OC 29546532 CKUGPDQJERTFDI-HTZUNMPGSA-N 384.428 3.392 0 1 GGAF COc1cccc(OC)c1C(=O)N1C[C@@H]2CN(c3nc4ccccc4o3)C[C@H]2C1 116826678 GMRQPSLXKWCSAO-HUUCEWRRSA-N 393.443 3.053 0 1 GGAF Cn1c(Cl)c(Cl)c2cnc(NC(=O)c3ccc([C@](C)(O)CO)cc3)cc21 118582430 MFPWXNRUMHCDCO-GOSISDBHSA-N 394.258 3.332 0 1 GGAF CCC(=O)N1[C@H](CN(CC)C(=O)c2cccc(F)c2)[C@@H](c2ccccc2)[C@@H]1CO 95895983 IEPBIIJIEGXQRE-RZUBCFFCSA-N 398.478 3.053 0 1 GGAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccccc3)no2)CC1 261077770 BEFOLLREIRIOST-KOMQPUFPSA-N 378.498 3.035 0 1 GGAF Oc1ccc(Nc2ncc(Br)c(NC[C@H]3CCCO3)n2)cc1F 299852268 PPQZOWQQGCUORP-SNVBAGLBSA-N 383.221 3.418 0 1 GGAF O=C(NCc1nc2ccnc(Br)c2[nH]1)c1cc2c(s1)CCC2 587035373 SQXDDJDLFUMFOG-UHFFFAOYSA-N 377.267 3.201 0 1 GGAF O=C(/C=C\c1nc2cc(I)cnc2[nH]1)Nc1ccccc1 587243598 HELOGGQTXLHPHL-SREVYHEPSA-N 390.184 3.214 0 1 GGAF COc1ccccc1[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807292 MDKJZWPIXOAOGD-YPMLDQLKSA-N 394.240 3.459 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncc(C(=O)N2CCCC2)cn1 587871944 FQBWGTLIYJOCBO-UHFFFAOYSA-N 381.411 3.103 0 1 GGAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4ncc[nH]c-4n3)cc2)c1C 586947383 NCNIXFWQHXZJAM-UHFFFAOYSA-N 379.445 3.389 0 1 GGAF COc1cc(OC)c2[nH]c(-c3cncc(I)c3)nc2c1 587185118 QDCYHCYTZKPKTA-UHFFFAOYSA-N 381.173 3.247 0 1 GGAF CC1(C)OC(C(=O)O)=C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352224 KKVCALPXTYAZRC-UWJYYQICSA-N 384.359 3.406 0 1 GGAF COc1cccc2c3c(cnc12)CCN[C@]31c2cc(Cl)ccc2OC[C@H]1N 963041908 ZSCZPNKHGAVPFC-NQIIRXRSSA-N 381.863 3.006 0 1 GGAF CCOc1cc([C@@H]2NCCc3c(C)ccnc32)ccc1OCC(=O)OC(C)C 963071420 RURPAOWNCSLUAS-NRFANRHFSA-N 384.476 3.354 0 1 GGAF COCc1c(-c2ccc(C(=N)N)cc2)oc(-c2ccc(C(=N)N)cc2)c1COC 1772607555 UGEXJWHLQDVXHF-UHFFFAOYSA-N 392.459 3.475 0 1 GGAF O=C(N[C@@H]1C=CC[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12)OCc1ccccc1 5808325 FJNBWKYPMHKHAW-QRVBRYPASA-N 376.412 3.047 0 1 GGAF Cc1cnc(C)c(-c2cccc3c2O[C@H](CNC(=O)/C=C/c2ccncc2)C3)n1 11791529 GMXRERAXYRJSMJ-GHOSXJJBSA-N 386.455 3.289 0 1 GGAF CCOc1ccc2nc(N3CCCN(CCCn4cccn4)CC3)nc(C)c2c1 12132447 JAGMFZLJSGTXAA-UHFFFAOYSA-N 394.523 3.136 0 1 GGAF C=C(NC(=O)/C(C)=C/C=C\CCCCC(C)C)C(=O)N/C(=C\OC)C(=O)OC 13430837 PERDMKQFFPTEJL-PFSSXTEVSA-N 392.496 3.112 0 1 GGAF CSc1ccc(C(=O)N2CCOc3ccc(CN4CCOCC4)cc3C2)cc1 19739724 IYJSTZXIMGEWLM-UHFFFAOYSA-N 398.528 3.276 0 1 GGAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@H]1c1ccc(-n2ccnc2)cc1 169714466 HRFSLUYZQLQNAH-AZUAARDMSA-N 395.459 3.447 0 1 GGAF O=C(Nc1ccc(C(=O)N2C[C@@H]3CCO[C@@H]3C2)cc1)N1Cc2ccccc2C1 166791683 MLYZHMWGAPIEOP-AZUAARDMSA-N 377.444 3.095 0 1 GGAF CC(=O)O[C@H]1C/C=C(/C)C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)[C@H](O)C=C(C)[C@H]23)[C@]1(C)O 205381238 FNKJUTFXJWBXIE-OWTKAHOJSA-N 378.509 3.002 0 1 GGAF O=C(NCc1ccco1)c1csc(N2CCN(CCc3ccccc3)C2=O)n1 205230218 HOGVDOURRVJDEI-UHFFFAOYSA-N 396.472 3.151 0 3 GGAF O=C1O[C@H](CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CC1 209404183 NXSJZUVQWSGQBQ-JOCHJYFZSA-N 391.515 3.377 0 1 GGAF COc1cccc(CC(=O)N2N=C(c3ccccc3C)C[C@]2(O)C(F)(F)F)c1 1857752455 AVKINDCTBWJNJA-IBGZPJMESA-N 392.377 3.434 0 1 GGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CCOCC2)c1 767203 LKSLGYZBDUDYNL-FPOVZHCZSA-N 380.444 3.036 0 1 GGAF O=C(CSc1nnc(CNC(=O)c2ccco2)o1)c1ccc(Cl)cc1 3957750 CMYSLJRSUMRTFJ-UHFFFAOYSA-N 377.809 3.221 0 3 GGAF O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F 4206740 QTCROKLYTNIXPQ-RDJZCZTQSA-N 397.233 3.333 0 1 GGAF CC[C@@H](C)n1c(SCC(=O)Nc2cc(C)on2)nc2ccsc2c1=O 8661829 NZTSFZCPKUNGFM-SECBINFHSA-N 378.479 3.456 0 1 GGAF C[C@H]1CN(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)C[C@@H](C)O1 9636314 APQUKVVIRSULJF-GASCZTMLSA-N 396.516 3.365 0 1 GGAF C[C@@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccc(F)cc2)CC1 2356303308 QLUNPUFVTAIKGA-OAHLLOKOSA-N 395.434 3.496 0 1 GGAF O=C(O)Cc1ccc2c(c1)C[C@H](CNS(=O)(=O)c1cccc3ccccc13)C2 27332519 UYTPIQWSIUBSPO-MRXNPFEDSA-N 395.480 3.160 0 1 GGAF COc1ccc2nc3n(c(=O)c2c1)-c1ccccc1C(=O)N[C@H]3Cc1ccccc1 61949319 MSNFFVASSFQKJU-FQEVSTJZSA-N 397.434 3.422 0 3 GGAF CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2CCNCC2)cc1 22450896 ABHGGPDVTGXLFS-JOCHJYFZSA-N 381.520 3.172 0 1 GGAF COc1cc(C=C2OC(=O)c3c2ccc2c3OCO2)c(CCN(C)C)cc1OC 2356713629 NNWPIBVUTATMEC-UHFFFAOYSA-N 397.427 3.205 0 1 GGAF O=C(N[C@@H](COP(=O)(O)O)Cc1ccccc1)c1ccc2ccccc2c1 36424507 ZFWDTMVSJBNGRZ-LJQANCHMSA-N 385.356 3.290 0 1 GGAF COc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)ccc1N 49034290 REQSEWPDVZEDAX-UHFFFAOYSA-N 377.448 3.315 0 1 GGAF O=C1OCCN1CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 143444356 ZVEXAPZRWVWGBG-GOSISDBHSA-N 379.334 3.296 0 1 GGAF O=C1Nc2ccccc2[C@@]12CN[C@@H](CNCc1cccc(C(F)(F)F)c1)C2 95575149 UUBQXIJHFKKUNZ-DNVCBOLYSA-N 375.394 3.047 0 1 GGAF COc1cc([C@@H]2SCC(=O)N2c2ccc3c(C)cc(=O)[nH]c3c2)ccc1O 96905465 WDJBJGFRHLMGSP-FQEVSTJZSA-N 382.441 3.329 0 1 GGAF CCCCOc1ccc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)cc1 95587258 BUWQWBZGHDKVMU-UHFFFAOYSA-N 378.454 3.125 0 1 GGAF COc1c([C@@H](O)CC(C)(C)O)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 31168373 VEFXEQGGTGFPCA-HNNXBMFYSA-N 388.416 3.366 0 1 GGAF biogenic CCOc1cc(CC(=O)O[C@@H](C)CC)c(F)cc1OCC(=O)N(CC)CC 299831908 JGXDQUZWSMRXMM-AWEZNQCLSA-N 383.460 3.356 0 1 GGAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(CC(=O)OCC)cc2[nH]1)C(C)C 586933189 NJDCYUYPSDCLJL-SFHVURJKSA-N 395.525 3.085 0 1 GGAF N[C@H](Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)c1ccc(Br)cc1 586998058 WWJRRAIAQDIHGB-GFCCVEGCSA-N 378.201 3.405 0 1 GGAF COC(=O)c1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587852988 KAYHPIFSLDVSDU-CPFSXVBKSA-N 385.258 3.455 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cn1cncn1)C1(Cl)CC1 587547498 SYTAYGNZMCELSG-OXQOHEQNSA-N 397.818 3.156 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4ncc(Br)nc14)[C@@H](C2)C3=O 587416565 BCPLNNTXKPCISU-FVMDXXJSSA-N 386.205 3.218 0 1 GGAF C=CN1CC[C@H]([C@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587396601 UNNAAGSNNSVIRG-FDDCHVKYSA-N 392.455 3.439 0 1 GGAF Cc1nn(Cc2nc3cncc(Br)c3[nH]2)c(C)c1Br 586979211 SYVBKFIUCYXQCL-UHFFFAOYSA-N 385.063 3.345 0 1 GGAF CC[C@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)NCCc2cc(C)c(F)cc21 962091463 KRUJOUVIXBOBMU-LJQANCHMSA-N 396.915 3.495 0 1 GGAF CC(=O)OC(C)(C)CC[C@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962989633 GQUFERNXSOVWKQ-OLZOCXBDSA-N 375.799 3.380 0 1 GGAF C[C@]1(c2c[nH]c3ccccc3c2=O)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962730333 NHPFMBOYEXEKJO-PXNSSMCTSA-N 386.373 3.437 0 1 GGAF Cc1c(O)ccc2c1[C@H](c1ccc(-c3ccc(Cl)nn3)cc1)N[C@H](C(=O)O)C2 963490601 LCSCBOROPFBYQA-JXFKEZNVSA-N 395.846 3.499 0 1 GGAF CC(C)c1nn(C)c2c1[C@H](c1ccc(C(=O)O)cc1Br)NCC2 962920074 QTAHXXIYQKRIMG-INIZCTEOSA-N 378.270 3.239 0 1 GGAF CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3cc(N(C)C)ccc23)C1=O 13587557 NFDSCEIXHOWVBA-UHFFFAOYSA-N 379.445 3.066 0 1 GGAF COCCN(CCOC)c1nc(C)nc2c1ncn2-c1c(C)cc(C)cc1C 13795037 LCDJNUSJTSYHTR-UHFFFAOYSA-N 383.496 3.148 0 1 GGAF CCOc1ccc(CCNC(=O)[C@]2(C)CON=C2c2ccc(N(C)C)cc2)cc1 769885 GSEPJAVRPHAZJR-HSZRJFAPSA-N 395.503 3.251 0 1 GGAF CNC(=O)CSc1nnc(-c2cc3c(C)nn(-c4ccccc4)c3s2)n1C 905264 IDNBXIAIIGENOW-UHFFFAOYSA-N 398.517 3.029 0 3 GGAF CCCCCCC1=NOC[C@]1(C)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 4216406 BYPALXQZBCXAMZ-YWZLYKJASA-N 381.517 3.475 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CC[C@](C)([C@@H]2C=C[C@@](C)(O)CC2)O[C@]1(C)COC(C)=O 2356396575 OYQMZQOODNGOAA-ISMARYCFSA-N 394.508 3.473 0 1 GGAF COc1cccc(CNC[C@@H](O)COc2ccc(C(=O)c3ccccc3)cc2)c1 6786544 ZMMDFULQKUUVFQ-OAQYLSRUSA-N 391.467 3.456 0 3 GGAF CC(=O)O[C@@H](CCN1CCN(c2ccccc2)CC1)C(=O)c1ccc(F)cc1 53243554 VFRYLCSHCSOMFC-NRFANRHFSA-N 384.451 3.152 0 1 GGAF O=c1[nH]c(-c2cccc(CN3CCC[C@H](Cn4ccnc4)C3)c2)nc2c1CCC2 23399073 YGSUCCTWAIHDMN-SFHVURJKSA-N 389.503 3.034 0 1 GGAF CC=C(C)C(=O)O[C@H]1c2cc3ccc(=O)oc3cc2O[C@H]1C(C)(C)OC(C)=O 2356575346 JSIFZCDOTCKEGQ-RBUKOAKNSA-N 386.400 3.446 0 1 GGAF C[C@]12CC[C@H]3[C@H](CCC4=Cc5nn(S(C)(=O)=O)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 26183598 FREWIGFIXSUUMY-OBQKJFGGSA-N 390.549 3.234 0 1 GGAF COc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1 195347524 SMIGNKQHTMRRFG-FQZPYLGXSA-N 388.423 3.259 0 1 GGAF O=c1[nH]c2cccc(Oc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2[nH]1 45370455 RIDPFECWCBUCLD-UHFFFAOYSA-N 381.413 3.449 0 1 GGAF C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)c(F)c2)[C@@H](CC)C1 618020201 IUBNJBRMVQSDOX-ZDUSSCGKSA-N 396.406 3.094 0 1 GGAF COc1cc(C(=O)c2ccn(-c3cccc(NC(=N)N)c3)c2)cc(OC)c1OC 299825493 CXYGDPQFEDTFIS-UHFFFAOYSA-N 394.431 3.039 0 1 GGAF CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587606950 KBQLMLFEMNBDRT-NQIIRXRSSA-N 396.420 3.499 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cncn2)(C2(Cl)CC2)N1 587695787 RTZKPRDHGIZGGD-HWPZZCPQSA-N 399.695 3.381 0 1 GGAF COc1nccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 587118982 SUIARUWMAVGXFM-UHFFFAOYSA-N 390.163 3.187 0 1 GGAF COC(=O)C[C@]1(c2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619728 YYTNSVWQFVNCPW-GHTZIAJQSA-N 380.352 3.405 0 1 GGAF O=c1cccc(-c2nc3c(O)nccc3[nH]2)n1CCOc1ccccc1Cl 587064298 PGCDGCHBDRJVDJ-UHFFFAOYSA-N 382.807 3.225 0 1 GGAF Cc1c(Br)ccc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc12 586931495 FSYYMZWMGDZIQR-UHFFFAOYSA-N 384.255 3.144 0 1 GGAF COc1cccc(-c2nc(C[S@](=O)CC(=O)NCc3ccccc3)c(C)o2)c1 5058222 PRIJQIVBUAOKHJ-MUUNZHRXSA-N 398.484 3.224 0 3 GGAF aggregator O=C(Nc1cc(CN2CCCCC2)[nH]n1)Nc1cccc2c1[C@H]1CCCN1C2=O 12355114 QKHOBVDZCSNCEJ-QGZVFWFLSA-N 394.479 3.330 0 1 GGAF O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)NCC[C@@H]1CCCCO1 12387122 XNZKBPBKLUVRJI-INIZCTEOSA-N 382.464 3.150 0 3 GGAF CCCc1n[nH]c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13833920 OLOABKFMZDBKIK-UHFFFAOYSA-N 388.431 3.498 0 1 GGAF CCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(Cl)c(Cl)c1 169334001 BOULTKNOXWAXNT-UHFFFAOYSA-N 378.267 3.308 0 1 GGAF CCCCCC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 169362645 ZIKBTZZAYKAEPP-UUSOTWBNSA-N 397.515 3.309 0 1 GGAF N=c1nc(-c2ccccc2CO)[nH]c(=NCc2ccc(Oc3ccccc3)cc2)[nH]1 1857577164 STMRMLDSNGDZOW-UHFFFAOYSA-N 399.454 3.270 0 1 GGAF COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1nnc(C(C)C)s1 1379767 ZHOYFDOOGSOSMT-ZDUSSCGKSA-N 389.481 3.305 0 3 GGAF CCOC(=O)C1=C[C@H]2C(=O)c3cccnc3C(=O)[C@@H]2C(c2ccc(Cl)cc2)=N1 100984459 GMYYGNRUQILTIY-ZBFHGGJFSA-N 394.814 3.296 0 1 GGAF OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(-c2cccnc2)cc1 103231587 BPRCZLSRKYOUKI-UHFFFAOYSA-N 387.487 3.169 0 1 GGAF C[C@]1(O)CCN(C(=O)C2CCC2)[C@H](c2ccccc2)[C@H]1NC(=O)C1CCCC1 2356289719 YFQWYUMXEBXMGV-VIZSFHNOSA-N 384.520 3.186 0 1 GGAF COc1ccccc1/C=C1\CNCC2=C1NC(=S)N[C@@H]2c1ccccc1OC 101679954 NUTLVBUFAKSDNT-RKZJEGACSA-N 393.512 3.164 0 1 GGAF O=C([C@@H](O)c1cccc(Cl)c1)N1CCC(Nc2ccc3[nH]ncc3c2)CC1 28891697 CRKXVRDQRQDSOG-IBGZPJMESA-N 384.867 3.353 0 1 GGAF CC(=O)[C@H](C)[C@](C)(O)C(=O)OC1=CC(C)=CCCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@H]12 2356517753 SWEZMQZVOMKDJW-BRKOAEBASA-N 390.476 3.254 0 1 GGAF CCc1c(CC2=CC=C[C@@H]3C=CC=C[C@@H]23)n(COCC=C(C)C)c(=O)[nH]c1=O 27644703 BKGNZAYCUCPFDD-FXAWDEMLSA-N 380.488 3.436 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3CC[C@H]2C(=O)CO)C1 2356670213 FHPQACKCDZIDIT-PYJAMRAQSA-N 390.520 3.317 0 1 GGAF CC[C@H](CCc1ccc(C[C@@H]2C=C(C)[C@H](O)C[C@H]2[C@@](C)(O)CO)cc1)OC 2356776154 QXGXFBVEVRIXIS-BUPNWXMQSA-N 376.537 3.273 0 1 GGAF Cc1cnc(N2CCN(c3ncccn3)CC2)nc1Nc1ccc2c(c1)CCC2 82203840 HKGSZKLEPIIGRH-UHFFFAOYSA-N 387.491 3.134 0 1 GGAF CCC(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)c(C)c(C)c1C 45314879 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CNC(=O)Nc1cc(Oc2cncc(OC)c2)c([C@H]2COCCC2(F)F)cn1 1857612561 DETISJLWMDKKPO-CQSZACIVSA-N 394.378 3.168 0 1 GGAF COC(=O)NC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857633727 LZIBFKUCRZFDCI-KRXHPCMFSA-N 379.541 3.477 0 1 GGAF Cc1c(C(=O)NC2CC2)oc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc12 2459826 QEUBHGFCPXABIR-CHWSQXEVSA-N 390.505 3.300 0 1 GGAF CCCSc1nc(NC)ccc1C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2 101550198 RVUNIPZUTBSHTG-WBOOIFLYSA-N 375.538 3.295 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5cccnc54)ccc31)[C@@H]1CC[C@@H](C2)N1 100632874 NSQKZIIMCZAEHA-YOEHRIQHSA-N 392.484 3.114 0 1 GGAF CSc1nc(NCc2cnc(Br)s2)nc(NC(C)C)n1 103217517 RQGYBHKDJFIXKA-UHFFFAOYSA-N 375.321 3.245 0 1 GGAF CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CC=C(c2ccccc2)CC1 20574897 VVLDSDMTRJGKFJ-UHFFFAOYSA-N 388.489 3.286 0 1 GGAF CC(C)(C[C@@H](O)CO)c1nnc2ccc(Sc3ccc(F)cc3F)cn12 38268650 YYDMYLLCCVAJRV-GFCCVEGCSA-N 379.432 3.180 0 1 GGAF COc1ccc2c(c1)COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 72123449 GETBWECATPKZGG-UHFFFAOYSA-N 377.448 3.085 0 1 GGAF OC(c1cccnc1)(c1cccnc1)[C@@H](c1ccccc1)N1CCCOCC1 35931438 GHXYRZWZQQDKIT-JOCHJYFZSA-N 375.472 3.176 0 1 GGAF OCCOc1ccc(Nc2ncc(F)c(Nc3ccc4c(c3)OCCO4)n2)cc1 38268201 ZJLQDCRUBPNAHV-UHFFFAOYSA-N 398.394 3.245 0 1 GGAF Cc1cc2oc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)nc2cc1O 84653053 BXVHRRLJGZKCBN-UHFFFAOYSA-N 390.447 3.274 0 1 GGAF COc1cccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@H](C)CN3)c1 82211082 LEUDNZBYRCUNMZ-OAHLLOKOSA-N 398.507 3.198 0 1 GGAF CN1C/C=C/COC[C@H]2CCCN(C2)c2ccnc(n2)Nc2cccc(c2)C1 84705551 LNYUDKNXQXNIDZ-PHXNAMCJSA-N 379.508 3.455 0 1 GGAF COCCOCO[C@@H]1/C=C/COC(=O)/C=C/[C@@H](OC)[C@@H]2CCC(C)=C1C2(C)C 143671199 KVCWSBGNYBVWSY-YIPSBSGLSA-N 394.508 3.429 0 1 GGAF CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccccc2)[C@H]1c1ccccc1 253650674 IALMGZYMFZDZKC-GMAHTHKFSA-N 394.471 3.283 0 1 GGAF CCc1nc([C@H]2CCCO2)c(C(=O)N[C@@H]2[C@H]3C[C@H]4C[C@@H]2C[C@@](O)(C4)C3)s1 263621121 VIJAQTISDPENBI-VCDHGBAISA-N 376.522 3.226 0 1 GGAF in-vitro CC(C)(CO)[C@@H](O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586900708 JYKYHKLHPYDDMZ-JTQLQIEISA-N 383.164 3.276 0 1 GGAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586916588 MSBFTJGJAUNSQR-YEJXKQKISA-N 377.400 3.110 0 1 GGAF COC(=O)c1scnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587853898 ONKUKURTAWWIOF-MADCSZMMSA-N 385.258 3.455 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1cn(Cc4ccc(F)cc4)nn1)[C@@H](C2)C3=O 587429783 WXOIZAADEWXSCQ-KKSFZXQISA-N 379.391 3.137 0 1 GGAF COc1cccc(C(=O)c2ccc(-c3nc4c(O)nc(S)nc4[nH]3)cc2)c1 587932414 UJVZYWYVKTYOED-UHFFFAOYSA-N 378.413 3.254 0 1 GGAF CSc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=N)[nH]1 587843469 ILBRCCYQWNMCBK-CPFSXVBKSA-N 383.290 3.136 0 1 GGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587194176 NTMYNCTXNBCKIK-JTQLQIEISA-N 398.410 3.402 0 1 GGAF C[C@@]1(CCN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347237 UFKNKFHIDBUOMV-IRLDBZIGSA-N 385.435 3.371 0 1 GGAF CCCCS(=O)(=O)N[C@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)C(C)C 586933321 PKPDKKKQYGKDLG-LBPRGKRZSA-N 378.420 3.393 0 1 GGAF O=C(O)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1F 962975872 ZFKXFBZLSLXHTF-WFASDCNBSA-N 385.725 3.144 0 1 GGAF Oc1ccc([C@]2(CN3CCOCC3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963096271 DDBFMTBBEVXDFO-NZQKXSOJSA-N 382.479 3.128 0 1 GGAF CCOC(=O)[C@@H]1CCCCCC[C@]12N[C@H](C(=O)O)Cc1ccc(O)c(C)c12 963511066 SPCKOXSGRBSFRI-QYWGDWMGSA-N 375.465 3.028 0 1 GGAF Cc1cccc(C)c1NC(=O)[C@@H]1[C@@H](C(=O)NCc2ccccn2)[C@@H]2C=C[C@H]1C2 1224543 YKZLNUQIVRBFHZ-UMGGQSCQSA-N 375.472 3.392 0 1 GGAF F[C@@H]1CN(Cc2cnc3ccccc3c2)C[C@H]1OCc1nc2cnccc2[nH]1 2356300931 ZTVGMWWOPVJUGD-OXQOHEQNSA-N 377.423 3.245 0 1 GGAF CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H](C)CN(C)C 4048990 KLMFFBDOURYFNH-SAWYMBPVSA-N 395.503 3.243 0 1 GGAF CC1=NNC(=O)[C@H]1[C@@H]1CC(c2c[nH]c3ccccc23)=NN(c2ccccc2)C1=O 102944487 YEXUMQAANBDADK-OXJNMPFZSA-N 385.427 3.047 0 1 GGAF O=c1oc2ccccc2c(O)c1C1=NN[C@H](c2cn[nH]c2-c2ccccc2O)C1 103288276 ZYAWPNAOCUGVEP-AWEZNQCLSA-N 388.383 3.033 0 1 GGAF COC(=O)[C@H]1[C@@H](c2ccc([123I])cc2)C[C@H]2CC[C@H]1N2C 100532455 SIIICDNNMDMWCI-MQEYBDNRSA-N 381.247 3.031 0 1 GGAF in-man O=C(NCc1ccccc1)c1cc([C@@H]2CCCCN2C(=O)OCCF)on1 61928947 FGLIKUPMVBPORA-INIZCTEOSA-N 375.400 3.238 0 3 GGAF CC=C1CN2[C@H](C(=O)O)Cc3c([nH]c4ccccc34)[C@@H]2C[C@H]1[C@@H](C)C(=O)OC 2356475475 FDYRVJVOEPEUJZ-CPIREHHASA-N 382.460 3.296 0 1 GGAF COc1cc(N)c(Cl)cc1NC(=O)C1CCN(Cc2ccc(O)cc2)CC1 29470506 AHPKJKDMTHVFBA-UHFFFAOYSA-N 389.883 3.487 0 1 GGAF C=CC(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c(O)c1 28566613 YIURYXYTKXDLRJ-UHFFFAOYSA-N 393.443 3.395 0 1 GGAF CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2C(=O)[C@H](N)CCSC 36215545 FKRBSIPVULUMDG-XLBJILASSA-N 376.566 3.304 0 1 GGAF COc1ccc([C@]2(O)C(=O)Nc3ccc(-c4c(C)noc4C)cc32)cc1OC 219519924 IBPRLMPOAHPEBK-OAQYLSRUSA-N 380.400 3.164 0 1 GGAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)nn2)c2c(F)cccc2c1=O 45354624 FXHJVCYVHIESMF-UHFFFAOYSA-N 375.359 3.344 0 1 GGAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCC(F)(CO)CC4)ncn3)c2c1 225556844 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C=CN1CC[C@H]([C@@]2(CSC)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587491128 ITNSBARTYROYPY-YWZLYKJASA-N 375.490 3.404 0 1 GGAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CC2=O 587474213 CWJXHSCXNFQIOO-ROUUACIJSA-N 391.464 3.314 0 1 GGAF OCC12CCC(c3nc4cc(I)cnc4[nH]3)(CC1)CC2 586895653 RQHOKLISFAJXNU-UHFFFAOYSA-N 383.233 3.147 0 1 GGAF COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1C 587576621 JTOALFUTZFBVPX-PXNSSMCTSA-N 379.368 3.220 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(COCCN(C(=O)OC(C)(C)C)C1)CC2=O 587475929 QWPFBJMRTQWOFQ-OAQYLSRUSA-N 391.464 3.316 0 1 GGAF CC1(C)Cc2cc3c(O)nc(O)nc3nc2-c2[nH]c3ccc(C(=O)O)cc3c21 587553829 DVHKFFPMRWLLQU-UHFFFAOYSA-N 376.372 3.116 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCCC(=O)O)c(OC)c1)[C@@H](C2)C3=O 587439493 BAEBZWIWBJHXOR-OYHNWAKOSA-N 398.411 3.220 0 1 GGAF CC(C)c1nn(C)c2c1[C@@H](c1ccc(C(=O)O)cc1Br)NCC2 962920075 QTAHXXIYQKRIMG-MRXNPFEDSA-N 378.270 3.239 0 1 GGAF Cc1ccsc1-c1c2c(nn1C)CCc1cnc(Nc3cnn(C)c3)nc1-2 169702271 BJASNJPLUJUQAG-UHFFFAOYSA-N 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6859648 BAZRYNOBKNNEFJ-UHFFFAOYSA-N 380.516 3.146 0 1 GGAF Cc1cc(OCCCN2C[C@H]3N[C@@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 101346876 QSQGSZFGWGGJAK-WOJBJXKFSA-N 380.467 3.411 0 1 GGAF COc1cnc(/C=N/NC(=O)[C@@H](C)Sc2cccc(Cl)c2)cc1OC 115594150 MYLVNLKCJDXWHI-GXBAXFRPSA-N 379.869 3.383 0 1 GGAF Cn1c(CO[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2F)nc2ccccc21 2356300383 UYKPSHZRVSRPRO-YWZLYKJASA-N 383.423 3.041 0 1 GGAF Cc1cccc(Nc2nc(NCCCc3ccc(O)cc3)ncc2C(N)=O)c1 28640292 WXIGSBXSRHSUED-UHFFFAOYSA-N 377.448 3.378 0 1 GGAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2csc(C(C)(C)C)n2)c1 114079308 XXOBCKZLTYYIFO-UHFFFAOYSA-N 398.536 3.209 0 1 GGAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1cccnc1OC)CCCC3 35086729 OUAVXZYSLKLYHJ-KRWDZBQOSA-N 395.459 3.308 0 1 GGAF CN1C[C@H](c2c[nH]cn2)[C@H]([C@@H](OC(=O)c2ccccc2)c2ccccc2)C1=O 14953291 MSVMMGAYQMSSSG-RLLQIKCJSA-N 375.428 3.180 0 1 GGAF biogenic COc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)c4ccco4)c32)cc1 38143475 XJBMCXBATXCSKY-UHFFFAOYSA-N 398.440 3.292 0 1 GGAF CS(=O)(=O)NC(=O)c1ccc([C@@H](O)C2C3CC4CC(C3)CC2C4)c(Cl)c1 216253588 OGXCFHUYAUXWDX-KONZFSBZSA-N 397.924 3.135 0 1 GGAF Cc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)o1 71334348 LBTBBHWFAHNRIU-QGZVFWFLSA-N 396.896 3.101 0 1 GGAF COc1ccc(NC(=O)[C@H]2c3ccccc3OCC(=O)N2Cc2ccco2)cc1 199207061 DYVUFELHNPORLV-OAQYLSRUSA-N 392.411 3.389 0 3 GGAF C[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82207235 HTSHPBNWBOECIO-CQSZACIVSA-N 386.471 3.004 0 1 GGAF COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(C3CC3)nn12 96933394 DXSFEZBLZCGIEI-UHFFFAOYSA-N 393.230 3.413 0 1 GGAF O=C1CO[C@]2(CCCN(C(=O)c3ccc(F)cc3)CC2)CN1Cc1ccccc1 618016918 JGVALOXDDZKIJQ-QHCPKHFHSA-N 396.462 3.250 0 1 GGAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(Cl)cnc4[nH]3)n2)cc1 587112095 IEKSJQMYDDIWDS-UHFFFAOYSA-N 379.733 3.332 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)n[nH]c2C(=O)O)N1 587704190 IKPFHXSBPUSRQD-ULHQUTTKSA-N 388.624 3.287 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2c(c1)OCCO2 587587550 OIQFMAIGVUUBNG-YLJYHZDGSA-N 377.352 3.261 0 1 GGAF CC(C)Oc1cc2nc(CNC(=O)c3cscn3)[nH]c2cc1Br 587027348 BHRNTQGLAOHKNR-UHFFFAOYSA-N 395.282 3.499 0 1 GGAF C[C@]1(c2cccc(O)c2F)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962658537 DAMOCTFDUAWYDH-FGZHOGPDSA-N 380.419 3.442 0 1 GGAF COc1cc2nc(C3CCOCC3)nc(NC3CCN(C)CC3)c2cc1OC 1772640942 JJKGVAIFMOOVJS-UHFFFAOYSA-N 386.496 3.047 0 1 GGAF COCCc1ncc(CN2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3)C2)cn1 12459262 YLZXNPZIWPYJKY-HSZRJFAPSA-N 398.526 3.293 0 1 GGAF CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)n2c1nc1ccccc1c2=O 15216246 DNPSVQYQTPYSPH-UXHICEINSA-N 386.455 3.489 0 1 GGAF biogenic CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCC(=O)O)cc3)oc2c1 168918880 PTLUFJWWMHMZBW-GFCCVEGCSA-N 393.399 3.208 0 1 GGAF Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)[C@H](C)C1 207194341 MWRCFJHYABVTIV-SJKOYZFVSA-N 397.928 3.168 0 1 GGAF CCOc1cc(NS(C)(=O)=O)c(OCC)cc1NC(=O)c1cccs1 881407 OWIPOOJFBMCKFH-UHFFFAOYSA-N 384.479 3.169 0 3 GGAF CNC(=S)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 2491881 KYDAHMYKPXMJHV-KRWDZBQOSA-N 383.517 3.394 0 1 GGAF Cc1ccc2sc(S(=O)(=O)Nc3cccc(-c4nnn[nH]4)c3)c(C)c2c1 114606809 XERICNKIDOUEQL-UHFFFAOYSA-N 385.474 3.499 0 1 GGAF O=c1[nH]c(-c2cccc(CN3CCC[C@@H](Cn4ccnc4)C3)c2)nc2c1CCC2 23399070 YGSUCCTWAIHDMN-GOSISDBHSA-N 389.503 3.034 0 1 GGAF CCOC(=O)Cn1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)nn1 103258448 XPYFSCDYHNBFAR-UHFFFAOYSA-N 393.378 3.364 0 1 GGAF OCCN1CCN(CCCCOc2ccccc2CCc2ccccc2)CC1 29485190 LGXXBWKXUQWQNV-UHFFFAOYSA-N 382.548 3.241 0 1 GGAF Nc1ccc(C(=O)n2c(-c3ccc(S(=O)(=O)O)cc3)nc3ccccc32)cc1 66251421 VQTSNNJWUHUXDO-UHFFFAOYSA-N 393.424 3.221 0 1 GGAF N[C@@H](c1csc(Nc2cc(NCCCO)ncn2)n1)c1ccccc1Cl 61896095 GQHZUGSPWYBIPA-MRXNPFEDSA-N 390.900 3.173 0 3 GGAF C=CC(=O)N1C/C=C/[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 36388564 HHDMXLOVTSZBQV-FNEOHHHZSA-N 394.446 3.489 0 1 GGAF C[C@H](C(=O)NCc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 82157685 XVKVWVSICFWXTJ-NSHDSACASA-N 384.860 3.271 0 1 GGAF COc1c2ccoc2nc2c(OC)c(O[C@H](OC(C)=O)[C@H](O)C(C)C)ccc12 238767262 GVNWBELMQDFVHC-UZLBHIALSA-N 389.404 3.283 0 1 GGAF Cc1cccc(NC(=O)Nc2cccc3c2[C@@H]2CC4(CCN2C3=O)OCCO4)n1 140937401 YTFLYBIUUKGWSA-INIZCTEOSA-N 394.431 3.068 0 1 GGAF CC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)NC(C)C 95894867 FBEAZEFQULRAGL-FSSWDIPSSA-N 399.535 3.027 0 1 GGAF C[C@@H](O)c1ccc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)cc1 145197367 YCLUGUDLKDZCCR-CQSZACIVSA-N 399.454 3.313 0 1 GGAF O=C(Nc1ccccc1)c1ccc(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 253761609 XZZJIUFSZHCKSM-PCPGVINSSA-N 398.462 3.492 0 1 GGAF N=c1[nH]c2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc-2c(Cl)[nH]1 587166116 MSGQQWPYWKNCIJ-UHFFFAOYSA-N 399.842 3.477 0 1 GGAF COC(=O)c1noc(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587798910 XJRNSGNHKYMVON-RBHXEPJQSA-N 397.244 3.469 0 1 GGAF CC(=O)[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)[C@H]1CCC(=O)N1 586989674 OKSSWOYYPDFGKK-FOIQADDNSA-N 386.407 3.103 0 1 GGAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc4c(cc3[nH]2)OCCO4)cs1 587013908 DRIRPTCTBKVPST-UHFFFAOYSA-N 388.449 3.482 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3c(c2)OCCN3C)N1 587773739 KSNMIIPAMUXLNM-BMLIUANNSA-N 392.272 3.435 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)CNC(=O)C3)N1 587795933 PENMQESLVMMQNV-NVWNAPEYSA-N 381.289 3.398 0 1 GGAF COc1cccc(CNC(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)c1 13100394 IXALBORILLSDBP-XBLGPDGASA-N 391.895 3.432 0 1 GGAF O=C(O)Cc1nn(Cc2nc3ccc(Cl)cc3s2)c(=O)c2ccccc12 13860753 NQSRQLZRICOORI-UHFFFAOYSA-N 385.832 3.335 0 1 GGAF O=C(Nc1cccc(NC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)c1)c1ccccc1 169299790 RNLOQMMYJAGPOG-LQDZTQBFSA-N 376.412 3.075 0 1 GGAF CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccccc5)cnc4cn3)cc2)CC1 1857645553 YXKOPGVYGQVAPR-UHFFFAOYSA-N 397.482 3.451 0 1 GGAF CCOc1ccc(Cl)cc1[C@H](C)NC(=O)NS(=O)(=O)c1ccccc1 1857744333 NFLJYTGTMIRRMB-LBPRGKRZSA-N 382.869 3.488 0 1 GGAF CCOc1ccccc1-c1ccc(C[C@H](CC(=O)O)NC(=O)CCC(=O)O)cc1 140624831 OZCRKFHCIMVVAM-QGZVFWFLSA-N 399.443 3.119 0 1 GGAF CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 763154 LWMHIWKFVJDMLA-HKUYNNGSSA-N 386.492 3.340 0 1 GGAF COc1ccccc1NC(=O)NCCCN1CCN(c2ccc(F)cc2)CC1 4791731 ILJIXTYIZVSZAB-UHFFFAOYSA-N 386.471 3.168 0 1 GGAF C[C@H]1CCCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)C1 6576697 YPDOTTVWNYUIFC-GJZGRUSLSA-N 395.906 3.070 0 3 GGAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CCCC3)[C@H](O)[C@@H]2[C@H]1C 2356307692 LMRWIHKQDCBGIR-MMFGXJJSSA-N 378.557 3.009 0 1 GGAF O=C1Nc2c(Cl)ccc(OCCN3CCOCC3)c2C2(CCCCC2)N1 28378739 NDIGGVVRAHQVPZ-UHFFFAOYSA-N 379.888 3.346 0 1 GGAF c1ccc2ncc(Nc3cc(-c4cncnc4)nc(N4CCOCC4)n3)cc2c1 66074679 GPIDKJCWNJVPJO-UHFFFAOYSA-N 385.431 3.062 0 1 GGAF CC(=O)OC[C@@H]1C[C@H](O)[C@]2(C)C(CO)=CCC[C@@H]2[C@]1(C)CCC(C)=CC(=O)O 2356659487 FZSGZQGDNASVKA-PLJZGSKRSA-N 394.508 3.083 0 1 GGAF CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)[C@@H](c2cccc(O)c2F)CC(=O)N1 34517307 HKYUJLPENAUVER-GFCCVEGCSA-N 398.369 3.063 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@@H]1c1ccc(F)cc1 72138357 CCGOOTKUJLOVPL-GOSISDBHSA-N 393.411 3.200 0 3 GGAF CCCCN1C(=O)C(=O)N(CCNc2ccnc3cc(Cl)ccc23)C1=S 40394670 JQRMDVKJKQADQD-UHFFFAOYSA-N 390.896 3.056 0 1 GGAF COc1ccc(CCN(C)c2ccc3[nH]c(=O)c(C(C)C)nc3n2)cc1OC 82231754 NJINWQUIBLFGRE-UHFFFAOYSA-N 382.464 3.138 0 1 GGAF CC1=NO[C@@](C)(CNC(=O)Nc2cc3[nH]nc(-c4ccnc(C)c4)c3cn2)C1 261192975 ZVFLVCJHJDQVAC-LJQANCHMSA-N 379.424 3.005 0 1 GGAF Cc1cc(O)c2c(c1)C(=O)C[C@H](c1c(C)cc3c(c1O)C(=O)CC[C@H]3O)[C@@H]2O 33816060 XXBQCKGZTFHKKF-LKBUQDJMSA-N 382.412 3.128 0 1 GGAF biogenic CCCC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H](O5)C1=O 299807861 ZQHVKFMMNIRWPN-POCMPKHNSA-N 395.499 3.006 0 1 GGAF COc1ccc2c(c1)CCN(c1cnc(C(=O)Nc3cccc(C)n3)cn1)C2 653786509 IKBZKFVBFOICDL-UHFFFAOYSA-N 375.432 3.004 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(CC4(CCNCC4)Oc4ccccc41)[C@@H](C2)C3=O 587440097 OAUMDKGHZFDEJI-GAJHUEQPSA-N 377.440 3.243 0 1 GGAF CCOC(=O)c1coc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587775633 SOIYRXJYNGXSGD-CLAHSXSESA-N 383.217 3.377 0 1 GGAF CCOC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]n1 587797941 TYSLNGPMDPVOCR-VXJOIVPMSA-N 382.233 3.112 0 1 GGAF N=c1[nH]c2nc(/C=C/c3cc4c(cc3Br)OCO4)nc-2c(Cl)[nH]1 586998471 KSLJVGPMGTZQGQ-OWOJBTEDSA-N 394.616 3.032 0 1 GGAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(C)(C)C 587206255 VZFDLLYJMAPCDS-OAHLLOKOSA-N 388.468 3.376 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(Cl)ncnc3[nH]2)cc1 587041268 FDGNSHFSEZAGGM-LBPRGKRZSA-N 389.868 3.293 0 1 GGAF CCCc1nc(-c2nc3cnc(C(=O)OC)cc3[nH]2)nn1-c1ccccc1F 587156015 QNBDQZJVNRGVPW-UHFFFAOYSA-N 380.383 3.084 0 1 GGAF COC(=O)c1cc2[nH]c([C@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2cc1OC 587173530 CXEVANVGEJGCKY-FQEVSTJZSA-N 384.363 3.126 0 1 GGAF CC(=O)O[C@H]1c2ccc3c(c2[C@](O)(c2ccc4c(c2)OCO4)[C@@H](C)[C@@H]1C)OCO3 685935665 LWGQAENPDGXGNI-CYFHKFEQSA-N 398.411 3.270 0 1 GGAF biogenic,in-vitro COc1ccc(OC)c2c1CCC[C@@]21NC[C@H]2CC(=O)N(C)c3cccc1c32 963030201 QBFUYNDXAPUALR-FATZIPQQSA-N 378.472 3.337 0 1 GGAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]2(c1ccccn1)[C@@H]1CCNC1 962698763 JUDDECREUXHLGA-DRSNIGMVSA-N 383.536 3.437 0 1 GGAF CNC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 1772634081 XJTVSGOKUNGCSK-ZTBQPFKDSA-N 398.547 3.386 0 1 GGAF C[C@H](C[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1c2ccccc2C[C@H]1C(=O)O 13599936 IBCUEOZCDMUSMM-ZTNFWEORSA-N 395.455 3.389 0 1 GGAF CCCCN(CC)C(=O)c1sc2nc(C)nc(N3CCOCC3)c2c1C 2452355 BBLWODUZLANWBW-UHFFFAOYSA-N 376.526 3.407 0 1 GGAF O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)Nc1ccccc1F 4907143 NZPAYZNUFPIJKE-UHFFFAOYSA-N 388.402 3.160 0 3 GGAF C[C@]1(O)CCN(C(=O)C2CCC2)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 2356289718 YFQWYUMXEBXMGV-QTEQDKRBSA-N 384.520 3.186 0 1 GGAF F[C@H]1CN(Cc2cnc3ccccc3c2)C[C@@H]1OCc1nc2cccnc2[nH]1 2356312705 GEIOMUYIOWOHMX-LPHOPBHVSA-N 377.423 3.245 0 1 GGAF COC(=O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@](C)([C@@H]1CC[C@@H](O)C1)C2 2356546499 MPUAIANXFQMSHQ-YRUZYCQGSA-N 387.259 3.451 0 1 GGAF CCCCC/C=C\C/C=C\C/C=C\C[C@H](O)[C@H](O)CCCC(=O)NCCO 34961982 BQQNTPYZRYHULM-RNVHPGDQSA-N 381.557 3.406 0 1 GGAF Cc1nn(CC(C)C)nc1C(=O)N[C@@H]1COc2cccc(-c3cccnc3)c2C1 84689094 UJPPVXOKSRLWCP-KRWDZBQOSA-N 391.475 3.038 0 1 GGAF CCC(CC)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)CCN2 82204591 ASDNJXQMUUCQRJ-UHFFFAOYSA-N 392.503 3.485 0 1 GGAF COCCn1c(-c2cccnc2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187221 XKXYZJYUBUPCMV-UHFFFAOYSA-N 392.438 3.328 0 1 GGAF CC(C)[C@H](CN(C)C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F 143403702 SEFLMEHQUXUCGV-ZDUSSCGKSA-N 388.365 3.211 0 1 GGAF CN1CCC(Nc2ccc3ncc(-c4cnn(-c5ccc(F)cc5)c4)n3n2)CC1 96937460 VQEQBCLPCZYLDI-UHFFFAOYSA-N 391.454 3.227 0 1 GGAF NC(=O)C1CCN(CCc2ccc(Oc3nc4ncccc4s3)cc2)CC1 95564007 PQEJDGLTRPZMQD-UHFFFAOYSA-N 382.489 3.223 0 1 GGAF CC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO 95874436 BBUYQEWTRUJGII-VJBWXMMDSA-N 382.479 3.264 0 1 GGAF O=S(=O)(c1cccc2cccnc12)N1CC[C@@H](c2nc3ccccc3[nH]2)C1 51076627 UEQKGBBNDAGYTJ-OAHLLOKOSA-N 378.457 3.289 0 1 GGAF biogenic C[C@@H](NC(=O)CC(F)(F)F)c1nc2cccc(I)c2[nH]1 587095216 ZBDCOLRWWMBOSJ-ZCFIWIBFSA-N 397.138 3.297 0 1 GGAF COC(=O)c1ccc2nc(COc3ccc(Br)cc3C)[nH]c2n1 586980856 GMPVRJLKTQOMLT-UHFFFAOYSA-N 376.210 3.394 0 1 GGAF COC(=O)CC[C@H](N)c1nc2cc(Br)c(Br)cc2[nH]1 587259147 XVYIBKYGFKRAKQ-QMMMGPOBSA-N 391.063 3.041 0 1 GGAF CCOC(=O)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587778725 RBNBXBAVGIGLEW-UHFFFAOYSA-N 393.852 3.123 0 1 GGAF COC(=O)c1ccc2nc(-c3cc(I)ccc3F)[nH]c2n1 587182921 QKEIVWPVIRPVGU-UHFFFAOYSA-N 397.147 3.155 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(Cl)cc1C(=O)O 587867968 FHPFFKMKSMXPET-UHFFFAOYSA-N 399.716 3.103 0 1 GGAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Cl)cc(Cl)c2[nH]1 586930982 YFSIEWWXMVATEG-UHFFFAOYSA-N 386.260 3.405 0 1 GGAF NC(=O)c1cccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 587171885 ASEKISKXKNXCGM-UHFFFAOYSA-N 380.354 3.257 0 1 GGAF Cc1ccc(C)c([C@@]2(CCC(=O)O)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963020222 DSJINMSPYBIZQK-MWTRTKDXSA-N 378.472 3.465 0 1 GGAF Cc1oc(-c2cccc(F)c2F)nc1CN1CCN(C(=O)c2ccco2)CC1 15078172 XOJHQOXDGXYIRY-UHFFFAOYSA-N 387.386 3.479 0 1 GGAF O=C1N[C@H](C(=O)O)Cc2ccc(cc2)OCC=CCOc2ccc(Cl)c1c2 1857626715 CLQFGFMZICVAGP-SFHVURJKSA-N 387.819 3.093 0 1 GGAF COc1cc([C@H]2OC[C@H]3[C@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)ccc1O 105395100 VJOBNGRIBLNUKN-HLNGLMCHSA-N 388.416 3.199 0 1 GGAF CC(C)C[C@H]1CN(C(=O)c2noc(-c3ccccc3)n2)[C@@H](CC(C)C)C(=O)N1 103264358 HNMXHXZTPJLGHD-IRXDYDNUSA-N 384.480 3.138 0 1 GGAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](C1(c3ccccn3)CCC1)NCC2 114978629 KMBOPCFWZPWRRC-OAQYLSRUSA-N 399.560 3.220 0 1 GGAF CN(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 27419600 AUTZOOJTVILWPZ-UHFFFAOYSA-N 375.494 3.455 0 1 GGAF Cc1noc(C)c1-c1ccc2c(c1)[C@](C1CCCCC1)(N1CC(O)C1)C(=O)N2 219362010 XLDJJDFIRCLTKY-QFIPXVFZSA-N 381.476 3.363 0 1 GGAF O=C1N(CCN2CCOCC2)CCN1Cc1cccc(Oc2ccccc2)c1 72118960 CTSCUVGLSHBRPY-UHFFFAOYSA-N 381.476 3.049 0 1 GGAF NC1=N[C@H](c2ccccc2)NC(NCCCOc2ccc(Cl)cc2Cl)=N1 71295477 HMHPRTKOHNAEAA-INIZCTEOSA-N 392.290 3.325 0 1 GGAF COc1cccc(-n2c(=O)n(Cc3ccccc3)c3cnc(NC4CC4)nc32)c1 40949309 OPVBKOIUVGIMIB-UHFFFAOYSA-N 387.443 3.213 0 1 GGAF Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)NCc4ccco4)C3)co2)cc1 82069337 ZKFUVKGVFZUKJA-QGZVFWFLSA-N 393.443 3.412 0 1 GGAF CN(CCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=S)Cc1ccccc1 49055568 RWSUJQVKRGPHDD-FQEVSTJZSA-N 379.529 3.063 0 1 GGAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1cccc(F)c1)[C@H](N)CC2 88260833 NHRJHZAPGPUPHB-NHCUHLMSSA-N 390.524 3.255 0 1 GGAF C/C=C/c1ccc([C@@H]2[C@H](CO)N[C@H]2CN(CC(C)C)C(=O)c2ccccn2)cc1 95895850 OBKJPIVUKOQMKX-OKLUWZQDSA-N 393.531 3.329 0 1 GGAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC[C@H](C)O)cn1 141328229 XGRYPRZRAAMMKM-AWEZNQCLSA-N 381.432 3.125 0 1 GGAF CCOC(=O)c1cc2cc(NC(=O)CNC(=O)Nc3ccc(C)cc3)ccc2[nH]1 95579655 UJJKORICSQAZGJ-UHFFFAOYSA-N 394.431 3.413 0 1 GGAF COC(=O)c1cncc(NC(=O)c2coc(-c3ccc(OC)c(OC)c3)c2)c1 621430369 RIZUIUWRCNMHTB-UHFFFAOYSA-N 382.372 3.398 0 1 GGAF COc1cc2c(c3c1-c1ccc4cc5c(cc4c1N(C)[C@@H]3O)OCO5)OCO2 34770484 VQHQADFZPDHVME-OAQYLSRUSA-N 379.368 3.414 0 1 GGAF biogenic CCOC(=O)CSC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608769 SQAZWMMINFCDRH-XLIONFOSSA-N 388.441 3.409 0 1 GGAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2nc(C(F)(F)F)ncc2[nH]1 587040038 ZAUOCSYMYIDFTC-UHFFFAOYSA-N 387.347 3.237 0 1 GGAF COc1ccc(-c2nc3cc(I)cnc3[nH]2)c(Cl)n1 587083587 BENBZSGJTPSBAK-UHFFFAOYSA-N 386.580 3.287 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1c(F)cccc1N1CCOCC1)[C@@H](C2)C3=O 587423004 HSAFBCIMFQZOMC-NYHFZMIOSA-N 383.419 3.334 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2c1 586905803 CJYAPALRHGAWDL-PDGQHHTCSA-N 397.456 3.310 0 1 GGAF Cc1c(I)cnn1[C@@H](C)c1nc2cc3cn[nH]c3cc2[nH]1 587183218 WVHMYQCKYVPUQB-QMMMGPOBSA-N 392.204 3.158 0 1 GGAF O=C1CC(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587603550 NIZOYKAOOHBMPT-OFNKIYASSA-N 386.359 3.405 0 1 GGAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(CO)cc2[nH]1 586939546 VZSLHJHSTGEBOW-QGZVFWFLSA-N 393.896 3.384 0 1 GGAF CC[C@](CO)(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc21 205164855 MFVGPPNQHPWGHH-SFHVURJKSA-N 393.896 3.207 0 1 GGAF CN(C)c1nc(N2CCCC2)c2nc(Cl)c(NCc3ccccc3)nc2n1 13782039 JFPMRQWPPXSQRK-UHFFFAOYSA-N 383.887 3.352 0 1 GGAF COC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 169729907 VYCQJFBWIAFJKF-RBUKOAKNSA-N 382.416 3.289 0 1 GGAF COC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 169729908 VYCQJFBWIAFJKF-MOPGFXCFSA-N 382.416 3.289 0 1 GGAF CC(=O)N1CCC[C@@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 167028487 KWPYYWPRIKGUGK-HXUWFJFHSA-N 380.448 3.019 0 1 GGAF Cc1ccc2c(c1)cc([C@@H]1CC(c3cccs3)=NN1C(N)=S)c1nnnn12 1857578237 XUGPXNKFWBAPDL-HNNXBMFYSA-N 393.501 3.042 0 1 GGAF O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccc2c(c1)CCC2 4388441 OYBNZMLVTNWHAG-UHFFFAOYSA-N 393.466 3.335 0 3 GGAF Cc1ccc(NC(=O)OCCN2CCN(Cc3ccccc3)CCC2=O)cc1 8680261 IFQLBUQKLUVIES-UHFFFAOYSA-N 381.476 3.278 0 3 GGAF O=C1N[C@@H](c2ccc(Br)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1=O 108712133 FWEHHSJSXSDVNL-KGLIPLIRSA-N 392.636 3.342 0 1 GGAF C[C@H](C(=O)OCCOCCO)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27557240 BOAYZUJJJASQQY-UAGQMJEPSA-N 392.517 3.437 0 1 GGAF Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1I)CC2 103268385 PNYXLKQFWMPYSH-OAHLLOKOSA-N 395.240 3.480 0 1 GGAF CC(C)=CC(=O)N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl 28342548 AWRRWMFLTMRIKJ-LLVKDONJSA-N 381.716 3.147 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@]2(C)[C@H](C(=O)CO)CC[C@H]32)C1 2356670215 FHPQACKCDZIDIT-ZANRXYSJSA-N 390.520 3.317 0 1 GGAF C/C(=C\COc1c(CCC(=O)O)c(O)cc2occc12)CC[C@@H](O)C(C)(C)O 73315540 KSDLXGLGEFBZCB-INMULRNOSA-N 392.448 3.393 0 1 GGAF O=S(=O)(c1cccc(Cl)c1)c1n[nH]c2ccc(NC3CCNCC3)cc12 35278957 AEFDXRNFDYCLFW-UHFFFAOYSA-N 390.896 3.213 0 1 GGAF O=C(NCC1CCCCC1)c1cnc(N2CCOCC2)nc1-c1ccccc1 82132620 KZGQZWIQSRDHIJ-UHFFFAOYSA-N 380.492 3.290 0 1 GGAF COCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccccc1 82134144 ZYCHPLQQRVDVDS-UHFFFAOYSA-N 390.487 3.483 0 1 GGAF O=C(C1CCCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2CC1CCOCC1 95894256 RWAKGGOIRNSNSM-RJGXRXQPSA-N 398.547 3.169 0 1 GGAF C[C@]12CC[C@H](O)C[C@@H]1CC1(OCCO1)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 33656910 HRIXNAXMXQKTSZ-MZLRYNDKSA-N 392.536 3.486 0 1 GGAF biogenic CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@@H](Nc1nc(C)cc(C)n1)C2 473170689 JDYGOQQIFNKLJL-ULQDDVLXSA-N 381.480 3.053 0 1 GGAF O=c1c2cccnc2ncn1Cc1nc(C[C@@H](F)c2ccc(Cl)cc2)no1 653726613 PJMMWANXHNLCLA-CQSZACIVSA-N 385.786 3.130 0 1 GGAF C[C@]1(c2cc(C(=O)O)[nH]n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344161 GCNPGJVNPBRACB-FXAWDEMLSA-N 382.347 3.227 0 1 GGAF CC(=O)C[C@]1(c2cnn(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587763634 KRIXBCCFHCEPJC-DYZYQPBXSA-N 380.261 3.079 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1n[nH]c2c1CCC2 587864341 XYHALOSHDZWRRK-UHFFFAOYSA-N 376.338 3.478 0 1 GGAF C=C1C=C(C)N2NC([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)=NC2=N1 587796224 PQOFYUZQGDJXCW-BJOHPYRUSA-N 390.260 3.169 0 1 GGAF COc1cc(-c2nc3cnnc(O)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144125 QLXDELDHAPRNBH-UHFFFAOYSA-N 380.335 3.238 0 1 GGAF O=C1Cc2c3c(n(CC[C@@H](c4ccc(F)cc4)c4ccco4)c2O1)OC(=O)C3 587945981 QJWLZRURKJAKFD-AWEZNQCLSA-N 381.359 3.365 0 1 GGAF COC(=O)/C(=C\N(C)C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336152 LTEVGEWMEDJMTQ-IIXJCWKDSA-N 399.418 3.267 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nnc(O)c2ccccc12 587872327 UTDRLYRVEYVOJO-UHFFFAOYSA-N 378.363 3.425 0 1 GGAF COC(=O)C(=O)C[C@]1(c2ccc(Cl)s2)CC(=O)c2cc(C)cc(N)c2O1 587411742 VGKOVKPSFYSCTH-SFHVURJKSA-N 393.848 3.285 0 1 GGAF O=[S@@](Cc1nc2c(Br)cnc(Br)c2[nH]1)CC1CC1 586959356 NJDONARJADCUOG-GOSISDBHSA-N 393.104 3.142 0 1 GGAF CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1CCCC(=O)O 587517119 HERRBDQXEPNPSS-QFIPXVFZSA-N 383.444 3.270 0 1 GGAF COc1cc([C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c(OC)c(OC)n1 962573495 SCZSUEKXGBIZAL-XIKOKIGWSA-N 388.464 3.090 0 1 GGAF CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3ccon3)c2)c2cnccc21 1772622315 ZELZYTSIERJBPU-UHFFFAOYSA-N 389.415 3.412 0 1 GGAF C[C@@H](NC(=O)Cn1cccc1C(=O)c1ccccc1)c1ccc2c(c1)OCCO2 5142634 UQMHSPCOYWPNCG-MRXNPFEDSA-N 390.439 3.368 0 3 GGAF CC(C)OC(=O)C[C@@H](CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1 13776612 GDEYPAOKQJBBOZ-GOSISDBHSA-N 380.492 3.313 0 1 GGAF COc1nc(N2CC[C@H](O)C2)ccc1-c1cc2c(C(=O)O)c[nH]c2cc1Cl 205310066 CVPDYZUEDILILE-JTQLQIEISA-N 387.823 3.161 0 1 GGAF COc1cc(C[C@H](C)O)ccc1Oc1cc(C[C@@H](C)O)cc(OC)c1OC 1857562601 BMGFPMOVVJSUPC-UONOGXRCSA-N 376.449 3.351 0 1 GGAF Cc1cc(-n2c(=O)nc(O)n(-c3ccccc3)c2=O)ccc1Oc1ccccc1 1857563251 REYFGVMCUDWCML-UHFFFAOYSA-N 387.395 3.190 0 1 GGAF CC[C@@H]1Cc2cc(OCCCOC)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857654735 SVDSDRPLKVITHW-CQSZACIVSA-N 387.432 3.145 0 1 GGAF O=C(NCc1ccco1)c1ccc2c(=O)n(CCC3=CCCCC3)c(=O)[nH]c2c1 2952787 QVLCTHKKRKORCN-UHFFFAOYSA-N 393.443 3.103 0 3 GGAF O=C(C1CCOCC1)N1CCCN(c2nc(C(F)(F)F)c(Cl)s2)CC1 59278358 CEDWYGMNJZUOEL-UHFFFAOYSA-N 397.850 3.281 0 1 GGAF COc1cc(CNCCCN(C)C)c(Br)cc1Br 103269974 FAPLVRQGFFGHLY-UHFFFAOYSA-N 380.124 3.262 0 1 GGAF COc1ccc(-c2nnc(COc3cnn(C(C)(C)C)c(=O)c3Cl)o2)cc1 103217308 CLQTZZSTBMDXBZ-UHFFFAOYSA-N 390.827 3.289 0 1 GGAF CCOC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CCC2)CC1=O 100999816 ZQVXNRZJCUAGKU-KDNSLJGTSA-N 397.515 3.219 0 1 GGAF Cc1[nH]c2c(c1C)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@]1(CCN3CC1CC1)[C@H]2O5 100794348 YKAILWUVFPIRIV-VCFYHUQZSA-N 392.499 3.036 0 1 GGAF O=C(O)/C=C/c1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)c(Cl)c1 29242827 KNVMGBKMZYKHLR-SOFGYWHQSA-N 398.850 3.451 0 1 GGAF COCCN/C=C1/C(=O)Nc2cc(Cl)ccc2N(c2ccc(C)cc2)C1=O 66264022 CWBJWXRZBQRHPO-VBKFSLOCSA-N 385.851 3.385 0 1 GGAF COc1ccccc1[C@@H]1c2cc3c(cc2O[C@@H](N2CCOCC2)[C@@H]1C)OCO3 105518507 PFCLMKILYKMDPO-KHIBUBOWSA-N 383.444 3.243 0 1 GGAF CC1(C)c2cc(F)cc(C(N)=O)c2C(=O)N1C1CCN(C2CCCCC2)CC1 117373339 RHZLKURJTVXKLN-UHFFFAOYSA-N 387.499 3.413 0 1 GGAF CC=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1[C@H](COC(C)=O)C(=O)OC 2356524042 NUTUZDPFFNFZCH-DYXWJJEUSA-N 396.487 3.386 0 1 GGAF COc1ccc(CNC(=O)c2sc(=O)n(Cc3ccccc3OC)c2C)cc1 61925728 YNIGIHCCVLQIEL-UHFFFAOYSA-N 398.484 3.214 0 3 GGAF Cc1cc(C)n2ccnc2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1 73311347 FRKLMSCCEDKZGG-UHFFFAOYSA-N 398.457 3.230 0 1 GGAF Cc1ccc(=O)[nH]c1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1 71294928 FAPWYEITCBNTQQ-ZSEKCTLFSA-N 380.398 3.039 0 1 GGAF COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1OC 71317255 YVEQOJSJKIAGFC-QGZVFWFLSA-N 393.487 3.099 0 1 GGAF CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 82065652 NUABOAXWAJDJQV-YADHBBJMSA-N 393.531 3.222 0 1 GGAF Cc1ccc2nc(C)c3nnc(-c4cc(OC[C@H](C)O)ccc4Cl)n3c2n1 145718539 IQKUDFYGJLMDTB-NSHDSACASA-N 383.839 3.369 0 1 GGAF CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)C1CCCC1 149347220 XYHYPUGXAKJICQ-QGZVFWFLSA-N 386.517 3.360 0 1 GGAF Cc1c(Br)ccc2[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc12 586930478 FIANZMUSDREQEM-UHFFFAOYSA-N 380.267 3.089 0 1 GGAF Nc1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1N 586961857 YMAGHVOSZRKSTE-HSZRJFAPSA-N 393.310 3.230 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cnn(C)c2)N1 587761680 CEEAPVINOMAUDK-MKFXAQQXSA-N 393.304 3.175 0 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GYCLOABFYWANSJ-XMSQKQJNSA-N 392.363 3.343 0 1 GGAF COc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c(O)c1 587868211 XPJMPHXJWMSOKN-UHFFFAOYSA-N 393.321 3.375 0 1 GGAF N=c1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c[nH]1 586966123 GKLTXNBUDPXVRJ-UHFFFAOYSA-N 377.477 3.180 0 1 GGAF COc1cc(Br)cc(C=O)c1OCc1nc2cncc(OC)c2[nH]1 586980100 IQMQAXTWPYGTIZ-UHFFFAOYSA-N 392.209 3.129 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(O)cc2)(C(=O)O)N1 587832877 LABUGLVTMWHFKY-MGNBDDOMSA-N 394.240 3.351 0 1 GGAF O=S(=O)(CCc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc2c(c1)CCC2 586920499 LSLIECCOWNJUML-UHFFFAOYSA-N 395.406 3.482 0 1 GGAF COc1ccc([C@]2(Cc3ccncn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587435392 FQNYYVVCXVASDY-XXBNENTESA-N 388.423 3.379 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccc(F)cc1)(c1cccnc1)NCC2 962924792 LYXDIQTWZNCSBQ-HSZRJFAPSA-N 375.447 3.360 0 1 GGAF O=C(O)[C@@H]1Cc2cccc(F)c2C2(C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)N1 962900292 PJQDSIJGFODAOE-BJLQDIEVSA-N 380.463 3.447 0 1 GGAF O=C(NC[C@@H]1CC12CCN(C(=O)c1ccccc1)CC2)N1Cc2ccncc2C1 1772650154 SAYWIOULCODPLT-FQEVSTJZSA-N 390.487 3.049 0 1 GGAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC)c3)C2)cc1 1772636941 MAIRXWVYFRKWGL-OXJNMPFZSA-N 383.492 3.378 0 1 GGAF CCC(=O)c1c(O)n(O)c2cc(NC(=O)c3cnc4ccccc4n3)ccc12 17918886 SVLXVMIWXRYLMT-UHFFFAOYSA-N 376.372 3.372 0 1 GGAF CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OC3CCOCC3)nc2s1 169340093 NXMARHJZTJRAHQ-UHFFFAOYSA-N 399.476 3.453 0 1 GGAF CO[C@H]1O[C@@H]([C@@H]2c3cc4c(cc3CCN2C)OCO4)c2ccc3c(c21)OCO3 1857603029 UYKOVOXFSYCDFP-ZVDOUQERSA-N 383.400 3.090 0 1 GGAF CCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)(C)O 103264005 GLQTVAWDQNPURO-UHFFFAOYSA-N 384.480 3.457 0 1 GGAF O=C(O)CCCC(=O)N[C@@H](Cc1ccccc1)C[C@H](Cc1ccccc1)C(=O)O 26572895 BXOGLYYMYKLFJB-PMACEKPBSA-N 397.471 3.302 0 1 GGAF CCOC(=O)c1ccc(N2CCN(c3ccc(C(=O)OCC)cc3)CC2)cc1 29391205 MCCBEYKCFVJSNM-UHFFFAOYSA-N 382.460 3.367 0 1 GGAF CCOc1ccc(-c2cnc3c(c2)c(=O)n(Cc2ccccc2)c(=O)n3C)cc1 27704811 LHXFQPQJIOGDQB-UHFFFAOYSA-N 387.439 3.209 0 1 GGAF C[C@H](CCCO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118927708 BMSROUVLRAQRBY-PREVOZTJSA-N 394.596 3.356 0 1 GGAF CCCCCC=CC[C@H](O)C=CC=CC=C[C@H](O)CCCC(=O)NCCO 2356534489 DQLVVNIINUTUIU-SFTDATJTSA-N 379.541 3.182 0 1 GGAF CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccncc21 143688421 OQJMMRLDVISQLX-UHFFFAOYSA-N 376.464 3.372 0 1 GGAF CCC(=O)N1CC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218961481 JCGVUGPEKCKOCA-FCORRRHLSA-N 384.520 3.092 0 1 GGAF Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)OC[C@@H]3CCCN3C)C(C)C)co2)cc1 82070310 HURRMMTYLOHEND-HKUYNNGSSA-N 399.491 3.042 0 1 GGAF CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(Cl)c3F)c2c1 40395546 SZECUKKBGWQGFZ-UHFFFAOYSA-N 393.827 3.273 0 1 GGAF Cc1ccc(-n2cnc3c(sc4nc(C(F)(F)F)nc(N)c43)c2=O)cc1 49073165 CEQZVMIHPFXAMJ-UHFFFAOYSA-N 377.351 3.300 0 1 GGAF COCc1cc2c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC)n2n1 96933397 OERWWVGNBDTLRS-UHFFFAOYSA-N 381.219 3.443 0 1 GGAF CCCc1ccc(OCC(=O)N(Cc2nc(-c3ncccn3)no2)C(C)C)cc1 95604450 UEYNQKKFGCMMLN-UHFFFAOYSA-N 395.463 3.295 0 1 GGAF COc1ccccc1-n1cc(C=O)c(-c2c(O)ccc3c(C)cc(=O)oc23)n1 96939310 RZCPCZXWZYBHPB-UHFFFAOYSA-N 376.368 3.481 0 1 GGAF COC(=O)[C@H]1C[C@@H]1c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 261142119 NGAGWVSXXQKIEL-XBFCOCLRSA-N 379.420 3.117 0 1 GGAF OCC1CCN(c2cccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1 299840799 WGNXRQXVNKMWRK-UHFFFAOYSA-N 390.487 3.106 0 1 GGAF CN=c1nc(N2CCNCC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 473087440 JXJIRILKVKOPOW-UHFFFAOYSA-N 393.438 3.250 0 1 GGAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1nccs1 653864150 NUUFFQFOUDMFKT-UHFFFAOYSA-N 393.852 3.024 0 1 GGAF Oc1cc(O)nc(SCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)n1 586967324 XQTQUVCAVURQQK-UHFFFAOYSA-N 393.297 3.106 0 1 GGAF COc1ccc(C=O)cc1-c1nc2cc(I)cnc2[nH]1 587788116 WOCOOHFQUSBZFM-UHFFFAOYSA-N 379.157 3.051 0 1 GGAF N=c1cc[nH]cc1-c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587249100 GUBWUAVJEJZZGD-UHFFFAOYSA-N 399.863 3.492 0 1 GGAF CC(C)(C)C(=O)Nc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)ccn1 587651845 FWZDPWBYUNRXLB-UHFFFAOYSA-N 384.823 3.118 0 1 GGAF Cc1c(O)ccc2c1C1(C[C@@H]3CC[C@@H](C1)N3Cc1ccccc1)N[C@H](C(=O)O)C2 963492378 QJWGJBIJOFPKFM-UFYCRDLUSA-N 392.499 3.322 0 1 GGAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1ccc2c(c1)n(C)c(=O)n2C 962400106 SJMFBGYSCUBUHX-NRFANRHFSA-N 392.528 3.425 0 1 GGAF CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@]21N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962626769 DESRBPOKRYTKJC-OHHBCXFOSA-N 397.393 3.405 0 1 GGAF O=C1C[C@@]2(N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c2cc(Cl)ccc2O1 963228136 ICCCIJZRBIMLBV-LAUBAEHRSA-N 394.814 3.040 0 1 GGAF CC(=O)O[C@@H]1[C@@H](OC(=O)C=C(C)C)c2cc3ccc(=O)oc3cc2OC1(C)C 13459336 NTNWNWWOOBBSQA-VQTJNVASSA-N 386.400 3.446 0 1 GGAF biogenic Cc1cccc(Cl)c1Nc1nc2cc(N3CCNCC3)ncc2n2cncc12 13582056 UGWSDVWCBLPHKE-UHFFFAOYSA-N 393.882 3.393 0 1 GGAF CC(=O)NCc1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1 13743866 CLXIPSSIONHXBO-UHFFFAOYSA-N 381.520 3.432 0 1 GGAF COc1cccc(C2=Nn3c(nnc3-c3cc(OC)ccc3OC)SC2)c1 13828700 ATRCUYKKJRLYQA-UHFFFAOYSA-N 382.445 3.329 0 1 GGAF C[C@@H]([C@H](O)c1ccc2c(c1)CCC(=O)N2)N1CCC(O)(c2ccc(F)cc2)CC1 13905141 FDCWDCYSJSNMNL-NYHFZMIOSA-N 398.478 3.116 0 1 GGAF Cn1c(SCCCN2CCC3(CCNCC3)CC2)nnc1-c1ccccc1 1857570669 UDZHORRPPMFMKH-UHFFFAOYSA-N 385.581 3.430 0 1 GGAF CS(=O)(=O)Nc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1F 1857593470 WWIBRHVTIMZNPG-UHFFFAOYSA-N 376.331 3.468 0 1 GGAF CC(=O)NCn1cc(-c2ccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc2)c(=O)o1 28525591 LQTQLPDJEIJWSY-ZHACJKMWSA-N 379.372 3.116 0 1 GGAF CC(C)C[C@H]1Nc2ccc(C(=O)NCCCN3CCCC[C@H]3C)cc2NC1=O 103700194 KCKFIWSXOWQDJC-OXQOHEQNSA-N 386.540 3.460 0 3 GGAF COc1cc2nc(N3CCN(Cc4ccccc4)CC3)cc(N)c2cc1OC 25981261 NZQLWVVZECUUOP-UHFFFAOYSA-N 378.476 3.156 0 1 GGAF O=C(Nc1ccc(Cn2cnc3ncnc-3c2O)cc1)c1ccc(Cl)cc1 100762105 JGZUKTKYXNVULN-UHFFFAOYSA-N 379.807 3.438 0 1 GGAF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(=O)NO 59132034 OHKTZBLFFFQEMQ-UHFFFAOYSA-N 392.774 3.059 0 1 GGAF Nc1ccc2c(=O)cc(C(=O)NC3CCCCC3)n(Cc3ccccc3)c2n1 28962228 SFVSRGOJALMAOY-UHFFFAOYSA-N 376.460 3.090 0 1 GGAF CCOCCNC[C@H](O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 26014456 FNAKPXHJPVVSGR-INIZCTEOSA-N 387.505 3.171 0 1 GGAF O=C(CN1CCN(Cc2ccccc2)CC1)[C@@](O)(c1ccccc1)C1CCC1 22043256 YTZUOZVKZMXBOP-XMMPIXPASA-N 378.516 3.061 0 1 GGAF CN(C)[C]1C=CC(c2noc([C@H]3CCCN3Cc3ccc(F)c(F)c3)n2)=CN1 2356829863 DSZAYJIXCOYCGZ-QGZVFWFLSA-N 386.426 3.236 0 1 GGAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@@H]1CCCC[C@@H]1O 1911576819 QBGXAQUTKHIMNE-MNOVXSKESA-N 394.357 3.091 0 1 GGAF CC(C)OC(=O)C[C@H](CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1 137652867 GDEYPAOKQJBBOZ-SFHVURJKSA-N 380.492 3.313 0 1 GGAF CC(=O)NCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCC(C)C)ncnc21 82178097 OOSJGKUYXCPXFZ-MRXNPFEDSA-N 394.523 3.377 0 1 GGAF COc1cc2c(cc1OC)[C@@H](O)C[C@H](NC(=O)C(F)(F)F)c1cc(O)ccc1-2 84615020 OJFQSHMUCHHBPR-GJZGRUSLSA-N 397.349 3.233 0 1 GGAF O=C1CN=C(n2cnc(-c3ccno3)c2)C=C2c3cccc(C4CC4)c3CCN12 149058616 RTFRIEOSSNRCOK-UHFFFAOYSA-N 385.427 3.102 0 1 GGAF CCOC(=O)c1c(-c2ccc3c(c2)OCO3)[nH]c2cc(OC)c(OC)cc2c1=O 95555530 GKLHHDXHFCYBII-UHFFFAOYSA-N 397.383 3.118 0 1 GGAF N=c1[nH]c2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)nc-2c(Cl)[nH]1 586921340 GWVVOHUQNARQLY-UHFFFAOYSA-N 399.863 3.011 0 1 GGAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2nc(Br)c[nH]c-2n1 587079003 FGCXAZZIDKSKIF-SNVBAGLBSA-N 391.660 3.444 0 1 GGAF Cc1c(O)c(-c2ccc3c(O)nc(O)nc3n2)cc2c3c(c(=O)oc12)CCCC3 587563039 PCZMSPOKZRDLSP-UHFFFAOYSA-N 391.383 3.102 0 1 GGAF O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H]1COc2ccccc2O1 587276713 TUPKHWJRDYKMRC-AWEZNQCLSA-N 390.189 3.105 0 1 GGAF Oc1nc(NCc2ccccc2)c2nc([C@@H]3Cc4cc(F)ccc4O3)nc-2[nH]1 587173582 FOGOWUVJKHKZRD-HNNXBMFYSA-N 377.379 3.438 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OC(=O)c3ccnn3C)c1)O2 587391511 MUYAVXWYRDARJZ-IBGZPJMESA-N 377.400 3.236 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(=O)O)nc2)N1 587767481 BBIYAWNASJFQNX-XLFHBGCDSA-N 379.229 3.479 0 1 GGAF COc1cc2[nH]c(-c3cccc(S(C)(=O)=O)c3)cc(=O)c2cc1-c1cnco1 13487587 JUGYBDYFATVQOV-UHFFFAOYSA-N 396.424 3.262 0 1 GGAF CC(C)C[C@@H](CO)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166976401 LXHVQOVXCAZNPJ-FQEVSTJZSA-N 381.476 3.371 0 1 GGAF COc1ccc2c(c1)NC(=O)CN2c1nc(N2CC(F)(F)C2)nc2ccccc12 1857744150 NNFVZORDIVRMGN-UHFFFAOYSA-N 397.385 3.184 0 1 GGAF O=C([C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F)N1CCOCC1 767228 HEKKCANACBVHGV-HKUYNNGSSA-N 388.826 3.430 0 1 GGAF COc1cc([C@H]2C3=C(O)CCCC3=Nc3nc(O)nc(O)c32)cc(OC)c1OC 104024151 PEQAANVDEYKVBG-AWEZNQCLSA-N 399.403 3.128 0 1 GGAF Cc1cccc(NC(=O)C2=CC3=N[C@@H](C4CC4)C[C@H](C(F)(F)F)N3N2)c1C 104008486 NKLOGPYPQNYXFM-GDBMZVCRSA-N 378.398 3.458 0 3 GGAF O=C(c1ccc(Cl)cc1Cl)[C@@](O)(Cn1cncn1)c1ccc(F)cc1 26010971 IJYGNBNBMXUQHJ-QGZVFWFLSA-N 380.206 3.495 0 1 GGAF CC1(C)O[C@@]2([C@@H]3CCC[C@@H](CC4=CN[C](N)C=C4)C3)CC[C@H]1[C@@](N)(CCO)C2 2356816045 XNNHYAGAUNVFAL-NGJUTTHESA-N 388.576 3.102 0 1 GGAF Cc1nc(-c2ccccc2Br)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CN)n1 2356831489 JPOMWEPMWWVITN-SQWLQELKSA-N 387.325 3.351 0 1 GGAF O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)[C@@]1(CCOC1)NCC3 73221474 BWJSQXMXWCOSKA-FQEVSTJZSA-N 387.432 3.166 0 1 GGAF CC(C)Cn1c(=O)c2c(nc3[nH]c(-c4ccccc4)cn32)n(CC(C)C)c1=O 34641325 ZMSOKXUTNKJYQK-UHFFFAOYSA-N 379.464 3.118 0 1 GGAF Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cc1C 45260279 TVFNXHKLNJJMTM-MOPGFXCFSA-N 380.488 3.444 0 1 GGAF CNC(=O)CN1C(=O)OC2(CCN(C3CCCCCC3)CC2)c2ccccc21 49045351 VSWRFLHZJLIZDC-UHFFFAOYSA-N 385.508 3.403 0 1 GGAF CCOC(=O)COC(=O)NCCC[C@H](C)Nc1cc(OC)cc2cccnc12 82158233 YFRLSINAJMLJJJ-AWEZNQCLSA-N 389.452 3.113 0 1 GGAF O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCC[C@H]1CO 144743573 CXCXOOTVFPWEFF-DJJJIMSYSA-N 377.362 3.062 0 1 GGAF COc1cc(/C=C(\Oc2ccc(/C=C\C(=O)O)cc2OC)C(=O)O)ccc1O 238763957 GGCXWTMEZZGUFT-ILFKIQBMSA-N 386.356 3.012 0 1 GGAF NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccccc1Br 95569498 AZONZDVQDKUXLP-UHFFFAOYSA-N 384.233 3.356 0 3 GGAF COc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)c3ccccc3)cc2)cn1 96271698 RSMNNOCYZZCWMX-UHFFFAOYSA-N 397.456 3.245 0 1 GGAF O=C(N[C@@H](COC(=O)c1ccccc1)C(=O)NC1CCCCC1)c1ccccc1 653795689 YETZBQOOGUGTOX-FQEVSTJZSA-N 394.471 3.091 0 1 GGAF O=S(=O)(/C=C\c1nc2ccc(Br)c(O)c2[nH]1)c1ccccc1 586926837 QVBFFQDOFMDZFP-HJWRWDBZSA-N 379.235 3.476 0 1 GGAF Cc1ccnc2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc12 587186192 QJSJUXRPZQMYTN-LBPRGKRZSA-N 378.217 3.113 0 1 GGAF CC1=C[C@@]2(C=C(C(=O)O)N1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587758817 JNEQFKKEIJYCGD-XYZCENFISA-N 381.245 3.135 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(C)c(Br)cc21 587371086 HSVQAHFXKXOZDM-SFHVURJKSA-N 387.233 3.461 0 1 GGAF N[C@@H](c1ccccc1)[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962903247 UEWPZFULTSLZNQ-IEIRFRATSA-N 376.431 3.368 0 1 GGAF COCCC(=O)Nc1ccc2c(c1)CN(Cc1ccc(-c3ccn[nH]3)o1)CC2 11664309 MWEYUEJOXUKUNA-UHFFFAOYSA-N 380.448 3.203 0 1 GGAF CS(=O)(=O)c1ccc(-c2cc(CO[N+](=O)[O-])nn2C2CCCCC2)cc1 13560504 NTKUSYKGZFVEAL-UHFFFAOYSA-N 379.438 3.167 0 1 GGAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1ccccc1-n1ccnc1 169714441 LJWDTXDPMYOFDR-ICSRJNTNSA-N 395.459 3.447 0 1 GGAF Cc1ccc([C@@H]2C[C@@H](SCC(C)C)[C@H](C(=O)O)CN2S(C)(=O)=O)cc1 1857601236 LVQPCPSDHQXKRD-IXDOHACOSA-N 385.551 3.160 0 1 GGAF Cc1ccccc1Cc1c(C)nc2c(C(=O)NC[C@H]3CCCO3)cnn2c1C 3045119 ROHNRTTXIIVTOM-GOSISDBHSA-N 378.476 3.154 0 1 GGAF C[C@H]1CCC[C@@H](NC(=O)COC(=O)COc2ccc(Br)cc2)[C@@H]1C 4979889 GNGFYASQEJVXRX-WOSRLPQWSA-N 398.297 3.312 0 1 GGAF O=C(C1CCCCC1)N1[C@H]2C[C@H]1CN(S(=O)(=O)c1cccc3ccccc13)C2 101213089 DMYLIFKDVYIQAM-OALUTQOASA-N 398.528 3.394 0 1 GGAF CC(C)c1ccc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 100703166 MMVICUUPCRIAFS-KRWDZBQOSA-N 379.460 3.421 0 1 GGAF Cn1cc(CN2C[C@@H](F)[C@H](OCc3nc4cccnc4[nH]3)C2)c2ccccc21 2356387228 MEGWTEICJJHJBD-VQIMIIECSA-N 379.439 3.189 0 1 GGAF COC[C@@H]1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@H]3O 2356520962 GDGOVQAHSVMHTH-DPDRDJOFSA-N 392.536 3.375 0 1 GGAF CCOCCc1ccc(OCCNC(=O)c2c(Cl)c(C)nn2C)c(C)c1 34425020 YWHPBGSWQMRODW-UHFFFAOYSA-N 379.888 3.078 0 1 GGAF Cc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2F)oc1C 82175710 VLRNJWRTMKWVKE-CQSZACIVSA-N 395.438 3.256 0 1 GGAF Cc1nonc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1C(F)(F)F 45316440 NRURPLSZQBHNEP-CYBMUJFWSA-N 391.353 3.390 0 1 GGAF CNc1nc(C)c(-c2ccnc(Nc3cccc(N4CCCNCC4)c3)n2)s1 95603580 BTDMLZGYAGONHW-UHFFFAOYSA-N 395.536 3.494 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(Br)cn3)C2)cc1 142183144 LHZAUHIUOCLDNC-LBPRGKRZSA-N 390.281 3.309 0 1 GGAF O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCCn1ccnc1 98083432 BOLQPYGCQPHKNZ-LIKPIUCQSA-N 383.451 3.165 0 1 GGAF Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1 299825251 DYPDSOGJQJGGQA-WKILWMFISA-N 376.478 3.109 0 1 GGAF CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)c3c(n2)CCCC3)c1O 299840132 UPSXKIAOQBYGGO-UHFFFAOYSA-N 397.884 3.346 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1ccc(O)c(N)c1 587867400 CXFNEXZIPMAFTB-UHFFFAOYSA-N 392.337 3.143 0 1 GGAF Cc1nc2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc2cc1Br 586924946 CXJQIHQLNNNKTN-FPLPWBNLSA-N 378.251 3.473 0 1 GGAF COC(=O)[C@@H]1CSC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587370316 AGRYUJYHPVEGRR-XAUMDUMWSA-N 388.416 3.165 0 1 GGAF CN(C)/C=C/[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572109 NKFZZVSVCBRTRN-KVWHRHGTSA-N 389.411 3.115 0 1 GGAF COc1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1F 586928950 MXQHKAPEILZKPT-UHFFFAOYSA-N 383.832 3.185 0 1 GGAF CCOC(=O)C(F)(F)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543915 CSDKIRYJJYOZMJ-RDTXWAMCSA-N 378.327 3.311 0 1 GGAF Cn1c2c(ccc1=O)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585472 DIHJTXREFCQUFF-REWPJTCUSA-N 389.407 3.284 0 1 GGAF CCOC(=O)OCCOCCN[C@]1(c2ccccc2Cl)CCCCC1=O 1857548932 YLOZTXWBNYDKDL-IBGZPJMESA-N 383.872 3.458 0 1 GGAF CCc1c(-c2ccc(N3CC[C@H](CNC)C3)cc2)nc(O)c2c(O)nsc12 1857606235 AKOCPVUCAGBXMY-GFCCVEGCSA-N 384.505 3.378 0 1 GGAF CN(C)[C@H]1CC[C@H](Nc2ncnc3[nH]cc([C@H]4CC[C@H](C(N)=O)CC4)c23)CC1 1857650174 APLFXDJBXZUPOM-BIAGXBKMSA-N 384.528 3.002 0 1 GGAF O=C(COc1ccc(-c2ccccc2)cc1)N1CCC(N2CCOCC2)CC1 1857654728 QVBNCRVRKXPLDD-UHFFFAOYSA-N 380.488 3.056 0 1 GGAF O=C([C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F)N1CCOCC1 4051923 HEKKCANACBVHGV-IEBWSBKVSA-N 388.826 3.430 0 1 GGAF CCCCN(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 4564634 IEYDGXMDZLYIMH-GHSBBIOCSA-N 380.488 3.013 0 1 GGAF O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NCc1ccccc1Cl 4931452 XAXILZIQDWQCNH-UHFFFAOYSA-N 375.831 3.033 0 1 GGAF CCCC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H](O5)C1=O 101441263 ZQHVKFMMNIRWPN-SNJHDSHBSA-N 395.499 3.006 0 1 GGAF CCCCc1c(OC(C)=O)c2cccnc2n(-c2ccc([S@@](C)=O)cc2)c1=O 26256391 LQJSLNKJUPHLHG-NDEPHWFRSA-N 398.484 3.391 0 1 GGAF COc1ccc2c(c1)C(c1ccccc1F)=NCC(=O)N2C1CCN(C)CC1 27750276 JJUDVNUDEDSISH-UHFFFAOYSA-N 381.451 3.113 0 1 GGAF Cc1ccccc1N1C(=O)c2ccccc2[C@]1(O)c1ccc2c(c1)NC(=O)CO2 116257625 OSHCUSAHWYVQHT-HSZRJFAPSA-N 386.407 3.180 0 1 GGAF CNC(=S)Nc1c(OCCN2CCCCC2)c(OC)c2occc2c1OC 29399518 OVAYTNSHPSPCDK-UHFFFAOYSA-N 393.509 3.231 0 1 GGAF COc1c([C@H](O)CC(C)C)ccc2c1C(=O)OCc1cc(CO)cc(O)c1O2 2356719343 VKKGCSCGDNERLX-OAHLLOKOSA-N 388.416 3.435 0 1 GGAF CCOC(=O)CN1C(=O)[C@]2(CC(C)=C[C@@H](C)O2)c2c(Br)cccc21 38142363 WNGRHFOZZPJEOQ-XIKOKIGWSA-N 394.265 3.309 0 3 GGAF COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)C[C@@H]2OC(C)=O)cc1OC 14643038 RRIRLULKYVXVEX-RBUKOAKNSA-N 388.416 3.329 0 1 GGAF biogenic CC(C)Nc1nccc(N(C(=O)NCC2CCNCC2)c2ccc(F)cc2)n1 40565355 BFVAMXSPGVQEAH-UHFFFAOYSA-N 386.475 3.283 0 1 GGAF Cc1nn(CCNCC(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565730 GZZGISQWOBSYDT-UHFFFAOYSA-N 394.922 3.397 0 1 GGAF OC[C@@H]1[C@H](c2ccccc2)C2(CN(Cc3nccs3)C2)N1CCC(F)(F)F 95794267 YPMHUUPJSIUGKO-WBVHZDCISA-N 397.466 3.110 0 1 GGAF COC(=O)c1ccc(Cn2cc(C(=O)Cc3ccc(Cl)cc3Cl)nn2)o1 96932337 XFNPUXKBMVSSTP-UHFFFAOYSA-N 394.214 3.438 0 1 GGAF CC(C)C(=O)Oc1ccc([C@@H](CN)C(=O)Nc2ccc3cnccc3c2)cc1 653713161 KRIZBCVOCNFFBN-HXUWFJFHSA-N 377.444 3.477 0 1 GGAF CCOC(=O)c1cn(CC)c2ccc(-n3cc(-c4ccccc4)nn3)cc2c1=O 653793319 VNRNQCIFMXZWEO-UHFFFAOYSA-N 388.427 3.446 0 1 GGAF COC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1 587234605 RKVKEUAKLPDCER-UHFFFAOYSA-N 387.436 3.213 0 1 GGAF COC(=O)c1ccnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 587017964 ULDFYSOJZHDJII-UHFFFAOYSA-N 378.413 3.470 0 1 GGAF Cc1[nH]nc2ncc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc12 587662057 TXPDVSRUCDSBQI-UHFFFAOYSA-N 399.385 3.471 0 1 GGAF COC(=O)c1cc2[nH]c([C@@]3(C)C=C(c4ccccc4F)NO3)nc2cc1OC 587153904 BKIBRADOHUBNJA-HXUWFJFHSA-N 383.379 3.288 0 1 GGAF N[C@@]1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C[C@@H]1c1ccccc1F 587153914 BLKZCXDXUCYHJQ-BZNIZROVSA-N 399.369 3.337 0 1 GGAF Cc1c(F)ccc2c1[C@]1(NCC2)C(=O)Nc2cc(F)c(Br)cc21 962143827 JJQWKLQNZYKLBX-KRWDZBQOSA-N 379.204 3.377 0 1 GGAF COc1ccc(C[C@@]2(C(F)(F)F)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962915289 BTGUHVHYVDRWPY-MAUKXSAKSA-N 383.341 3.434 0 1 GGAF Cc1cc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c(C)n1C 169197544 GUJAMIISEDMXLG-UHFFFAOYSA-N 390.487 3.447 0 1 GGAF C[C@H](NC(=O)c1cnn2ccc(N3CCC[C@H]3c3cncc(F)c3)nc12)C1CC1 203701327 HRNZKBRSPYYSBU-UGSOOPFHSA-N 394.454 3.133 0 1 GGAF O=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)c1ccc2c(c1)OCO2 1857647613 CAJGSUMHXIBVGE-UHFFFAOYSA-N 385.383 3.310 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCCOC 4152854 QROSPJZDSWTGTL-PZJWPPBQSA-N 382.460 3.330 0 1 GGAF COc1ccc(C[C@H](CO)n2cc(-c3cccc(O)c3)c3c(N)ncnc32)cc1 27988144 RLICCWOKSVSSOF-MRXNPFEDSA-N 390.443 3.171 0 1 GGAF COC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F 29044598 AQSBEEWBLQXYER-MRVPVSSYSA-N 396.287 3.323 0 1 GGAF O=C(O)CN1C(=O)[C@@H](NC(=O)c2ccc3ccccc3c2)CCc2ccccc21 29407395 VPNDIZVDZFZHQE-IBGZPJMESA-N 388.423 3.002 0 1 GGAF N[C@H]1CN(c2cc(-c3ccccc3)ncn2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F 28636958 LBUHTPXJCCCJGI-KDOFPFPSSA-N 398.388 3.409 0 1 GGAF CN1c2ccccc2C(c2ccccc2F)=NC[C@@H]1CNC(=O)c1cccnc1 27523078 FVEYZXPAKSZZQE-QGZVFWFLSA-N 388.446 3.307 0 1 GGAF CCCCN1C[C@H](COc2ccccc2)Oc2cccc(F)c2S1(=O)=O 61931234 FAXFOQNDTPNNQM-MRXNPFEDSA-N 379.453 3.457 0 3 GGAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@H]1CCCC[C@H]1OC 29339251 KUVDELQPGAIHCS-MSOLQXFVSA-N 397.947 3.330 0 1 GGAF C[C@]1(O)CCC[C@@H]2c3c(cc4oc(CO)cc(=O)c4c3OC3CCCC3)O[C@@H]21 2356433865 XDMDSQDGVQLSAB-GBSMKCJWSA-N 386.444 3.386 0 1 GGAF C[C@]12C[C@H](OC(=O)c3ccccc3)C[C@@H]3C(=O)O[C@H](c4ccoc4)[C@@H](OC1=O)[C@H]32 2356635697 GTVVKWIWARQEOM-ZNGWZVJISA-N 396.395 3.061 0 1 GGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]3[C@@H](C[C@@]12O)O[C@H]1OC(=O)C[C@@H]13 2356759175 PHLWRVWXUFAVPX-ZGOWQAHFSA-N 390.520 3.019 0 1 GGAF CC(=CCC[C@H]1C[C@H](c2cc(O)ccc2O)OC1=O)CCC=C(CO)CO 2356865244 WKBBTEUDELYQMD-OXJNMPFZSA-N 376.449 3.120 0 1 GGAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(Cc2ccccc2)C(=O)[C@@]31C 2109214 KXQRSMWFPPBBCT-JOCHJYFZSA-N 375.428 3.412 0 1 GGAF biogenic CN(CCN)C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72177684 WAUUCTJKGIPDOX-LBPRGKRZSA-N 381.320 3.196 0 1 GGAF CC[C@H](CCc1ccc(C[C@H]2C=C(C)[C@@H](O)C[C@@H]2[C@@](C)(O)CO)cc1)OC 85510772 QXGXFBVEVRIXIS-VROINQGHSA-N 376.537 3.273 0 1 GGAF biogenic,in-vitro COc1ccccc1N1CCN(CCCCCn2c(=O)[nH]c3ccccc32)CC1 40917856 DKMJRBCGZYNKDG-UHFFFAOYSA-N 394.519 3.331 0 1 GGAF COCCNc1nccc([C@H]2CCCN(CCc3c[nH]c4ccccc34)C2)n1 40915467 NYTBSMRRGSUXPY-SFHVURJKSA-N 379.508 3.438 0 1 GGAF in-vitro O=C(O)CCC/C=C\C[C@H]1[C@@H]2O[C@H]([C@@H]3O[C@H]32)[C@@H]1/C=C/[C@@H](O)C1CCCCC1 195042734 BLPTUHHFIMEDBU-DPEWFDTJSA-N 376.493 3.466 0 1 GGAF O=S(=O)(c1ccc(CO)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 143394338 KZGJBBOKWJVJFL-UHFFFAOYSA-N 377.849 3.057 0 1 GGAF CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1ccc(F)cc1 95583756 JUFKHOKLZPGNNQ-UHFFFAOYSA-N 389.496 3.408 0 1 GGAF C[C@H](O)c1cccc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1 144390162 VSYPUASZWHWIDK-AWEZNQCLSA-N 399.454 3.313 0 1 GGAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@]2(O)CCC[C@H](C)[C@@]12C 95909481 AHVYGDRGQJFXOT-PJUQOJJJSA-N 378.465 3.042 0 1 GGAF biogenic,in-vitro O=C(O)Cn1c(=O)c(Sc2ccc(Br)cc2)nc2ccccc21 299869526 UWFFRCVRCCCKQV-UHFFFAOYSA-N 391.246 3.395 0 1 GGAF CCNC(=O)Nc1cn(C(=O)c2ccccn2)c2cc(-c3cccnc3)cnc12 653747713 YUJVUQXXHKPJNH-UHFFFAOYSA-N 386.415 3.323 0 1 GGAF COC(=O)[C@]1(C)CCc2ccccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443302 NVHHHVXHXOLMEJ-VSDWSMLSSA-N 378.424 3.464 0 1 GGAF O=Cc1cc(C=O)c(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587608871 NBMDAFSESUSOES-PGRDOPGGSA-N 390.347 3.426 0 1 GGAF COc1cccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 587187852 LMTJFHUCELAZCR-UHFFFAOYSA-N 390.184 3.491 0 1 GGAF COC(=O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1OC 587165358 SBDAFVZYIYRHDF-UHFFFAOYSA-N 380.379 3.409 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(O)cc1O 587867900 PYWNCYPDODIPDO-UHFFFAOYSA-N 379.294 3.072 0 1 GGAF Cc1nc(O)nc(S)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587847346 WNCXOMCWPIOOCY-HYORBCNSSA-N 398.301 3.479 0 1 GGAF O=C([C@H]1Cc2ccccc2[C@@H](c2ccc(Sc3nc[nH]n3)o2)N1)C(F)(F)F 962729667 IXTFDYXSSPVQAD-RISCZKNCSA-N 394.378 3.284 0 1 GGAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(CCOc3ncccc32)N1 963171993 CFQXWXKHOUTYFK-SJKOYZFVSA-N 398.768 3.379 0 1 GGAF COc1cc2c(cc1OC)[C@]1(CCn3c(O)nc4cccc1c43)N(C)[C@H](C)C2 962569930 MOADQWUKGQRBML-MCMMXHMISA-N 379.460 3.283 0 1 GGAF Cc1cccc(CN2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)c1 11982465 SGQDRYCLFASLDE-DEOSSOPVSA-N 391.515 3.418 0 1 GGAF O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(C4CC4)c3)n(-c3ccccc3)n2)CN1 169707032 OLYSFCKQACLZBZ-GOSISDBHSA-N 386.455 3.491 0 1 GGAF C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Cl)cc3)c3c(N)ncnc32)C1 207813301 YGZXDDYHFUZGMO-CQSZACIVSA-N 382.855 3.078 0 1 GGAF O=C(NCc1ccccc1)c1n[nH]c2c1CN(Cc1c[nH]c3ccccc13)CC2 1857616753 BJBZJPJWZGVTPE-UHFFFAOYSA-N 385.471 3.379 0 1 GGAF CCCOc1ccc(-c2cn(CCN3CCNCC3)c3ccccc3c2=O)cc1 1857630167 MHVRZFFIVYKGLA-UHFFFAOYSA-N 391.515 3.363 0 1 GGAF Cc1cccc(OCC(=O)Nc2ccc(C(=O)NCc3cccnc3)cc2)c1 897925 QONMQEZDJRGRHE-UHFFFAOYSA-N 375.428 3.338 0 3 GGAF CC(C)(C)C(=O)Cc1cc2c(cc1C(=O)O)S(=O)(=O)NC(C(C)(C)C)=C2 1623865 CBLGMKJWLSLWJF-UHFFFAOYSA-N 379.478 3.221 0 1 GGAF O=C(O)C[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1Cc1nc2ccccc2[nH]1 2356318052 NFUYRMKHZAPRSK-DLBZAZTESA-N 377.444 3.359 0 1 GGAF COc1c(C)cc(C(=O)N2CCN(c3ncccc3NC(C)C)CC2)cc1C 6521973 HWRZDBIPSJPLTJ-UHFFFAOYSA-N 382.508 3.490 0 1 GGAF CN(C)CCN(c1ccc(Cl)cc1)c1nnc(NCc2ccccc2)nn1 58603143 LEZOCYZIHXBKNI-UHFFFAOYSA-N 383.887 3.232 0 1 GGAF COc1ccc2c(Nc3cn(C)cn3)nc(N[C@H](C)c3ncc(F)cn3)nc2c1 103260248 XIUNXTXIMGZQFU-LLVKDONJSA-N 394.414 3.218 0 1 GGAF CC(=O)OC[C@@]1(O)OC[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 118919807 YXPQDCQGNXNNDX-GETNKPSFSA-N 392.536 3.268 0 1 GGAF CS(=O)(=O)c1cccc(-c2csc3ncnc(Nc4ccncn4)c23)c1 114806508 NXJKVAHBNPIOLV-UHFFFAOYSA-N 383.458 3.295 0 1 GGAF COc1ccc(S(=O)(=O)Oc2ccccc2NC(=O)c2ccncc2)cc1 29405812 SBEJCNCZOSQVCD-UHFFFAOYSA-N 384.413 3.110 0 1 GGAF COCC[C@@H](CC1(C(=O)NCCCc2ccc(OC)cc2)CCCC1)C(=O)O 28641314 RYJNYIUWPGRISX-SFHVURJKSA-N 391.508 3.432 0 1 GGAF CCC[C@@H]1NC(=O)c2cccnc2-n2c1nc1ccc(Br)cc1c2=O 61921372 ZFAOMJQDMFCLEU-AWEZNQCLSA-N 399.248 3.128 0 3 GGAF C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C[C@@H]2c2ccccn2)cc1 73240043 CITBWOHPECEAHH-YLJYHZDGSA-N 392.503 3.343 0 1 GGAF CCOC(=O)CS[C@@H]1NC(=O)[C@@H]2[C@H](N1)c1ccccc1CC21CCCCC1 211691845 XJHPTSMFQIWCBR-NSHGMRRFSA-N 388.533 3.150 0 1 GGAF CC(C)(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 224758664 HAIZIWZEBWDWPF-UHFFFAOYSA-N 386.452 3.499 0 1 GGAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)NCc3ccco3)C2)co1 82069360 DSGZDSJOVPUGEK-INIZCTEOSA-N 393.443 3.412 0 1 GGAF O=C(C1CC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl 95894346 AMFAFERRWVUJGK-PCCBWWKXSA-N 382.891 3.426 0 1 GGAF COc1n[nH]c2ncc(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)cc12 95578850 JRJWYAILHVLYLF-UHFFFAOYSA-N 387.399 3.471 0 1 GGAF COc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@H]4C3=O)c2)c1 142692580 JSFAASBRDOCVHH-FQZPYLGXSA-N 388.423 3.259 0 1 GGAF CC[C@@]12CCCN3CC[C@]4(c5ccccc5N(C(=O)OC)[C@@H]4[C@@H](C(=O)OC)C1)[C@H]32 143641031 GUTNOOLYGSHCAW-VSWRERJWSA-N 398.503 3.337 0 1 GGAF N=C(N)c1ccc(OCC2=CC=C[C@@H](COc3ccc(C(=N)N)cc3)C2)cc1 141301747 LAYJBEARRDQYGZ-OAHLLOKOSA-N 376.460 3.215 0 1 GGAF C=CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 621477371 IWCLVQCRDYVMOV-OAHLLOKOSA-N 394.880 3.268 0 1 GGAF C[C@@H]1CN(c2c(F)cccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 473106844 XZSAKNPPGWFFLD-LLVKDONJSA-N 388.349 3.496 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCCC2)nc1 587597445 VFQKPCLEXJGJPB-WIYYLYMNSA-N 389.411 3.485 0 1 GGAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(=N)N)cc2[nH]1 587113675 RYGIHBZQROAANA-GOSISDBHSA-N 389.381 3.265 0 1 GGAF N[C@]1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C[C@H]1c1ccccc1F 587154011 BLKZCXDXUCYHJQ-MEDUHNTESA-N 399.369 3.337 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(OC(F)(F)F)ccc41)[C@@H](C2)C3=O 587422134 NMXDVYHPKVENEJ-SGTLLEGYSA-N 391.301 3.189 0 1 GGAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(=N)[nH]cc3[nH]1)N2 587031249 MLRZZXLUSKTLPF-JHFYRWCBSA-N 386.506 3.497 0 1 GGAF O=C1c2ccoc2CC[C@H]1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586907091 KDCCSGKJLNQALV-ZDUSSCGKSA-N 389.415 3.203 0 1 GGAF CCOC(=O)CNc1ccc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)cc1 587224938 LFGMLGRWRPRZSK-UHFFFAOYSA-N 382.464 3.145 0 1 GGAF CN(C)CCOc1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 587155504 MZOQJLMNNIBUQR-UHFFFAOYSA-N 379.233 3.467 0 1 GGAF COc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc(Cl)n1 587275561 CZHGSWJLNIXQPV-UHFFFAOYSA-N 397.612 3.371 0 1 GGAF CCCS(=O)(=O)N1CCC(c2nc3cccc(OC(F)(F)F)c3[nH]2)CC1 586952685 LRJJUNBECXTBBO-UHFFFAOYSA-N 391.415 3.381 0 1 GGAF Cc1c(O)ccc2c1[C@](CCCCCC(=O)O)(C1CCC1)N[C@H](C(=O)O)C2 963522569 FLPVKAXVXFOATG-KKSFZXQISA-N 375.465 3.330 0 1 GGAF COc1ccc2c(c1)[C@H]([C@H](CCO)NC(=O)OC(C)(C)C)N(C(C)C)CC2 962093662 SVRWFJAJBWZQRY-RBUKOAKNSA-N 378.513 3.279 0 1 GGAF CC(C)CC(=O)c1c(O)cc(O)cc1OCc1c(-c2ccccc2)no[n+]1[O-] 1772637245 IBNCTUYUYWIPHP-UHFFFAOYSA-N 384.388 3.194 0 1 GGAF CC(=O)NCc1ccc(NC[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 11422486 PHCQHHUHBQVLPB-VLIAUNLRSA-N 375.900 3.100 0 1 GGAF COc1cc2nc(Cl)nc(Nc3ccc(S(=O)(=O)O)cc3)c2cc1OC 11756581 MCQXWAMDONSPKZ-UHFFFAOYSA-N 395.824 3.291 0 1 GGAF COc1ccc([C@H]2OC(=O)C[C@H]2C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1OC 13110943 BICWFCHKXAYWKE-NJCVXUMOSA-N 375.465 3.249 0 1 GGAF O=C1COCc2ccc(-c3cc4ccccc4o3)cc2N1CCN1CCOCC1 205207040 CJIZAEIBIWVPGU-UHFFFAOYSA-N 392.455 3.295 0 3 GGAF NS(=O)(=O)c1ccc(O[P@@](=O)(Oc2ccccc2)c2ccccc2)cc1 1857547347 NHZKQUURXQFXIN-VWLOTQADSA-N 389.369 3.310 0 1 GGAF C[C@H](N=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=N[C@H](C)C2CC2)[nH]1)C1CC1 1857655850 KRSKURCJOGAEOS-PHIMTYICSA-N 392.429 3.217 0 1 GGAF O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccncn1 58592804 GJLFDWIIHKYOMR-UHFFFAOYSA-N 388.836 3.183 0 1 GGAF Cc1cccc(N2CCN(C(=O)COc3noc4nc(C)cc(C)c34)C[C@H]2C)c1 61935677 BKCAQRNMUSHHJI-QGZVFWFLSA-N 394.475 3.264 0 3 GGAF COc1ccc(NC(=O)[C@@]2(C)CCN2Cc2cccc(OC)c2F)cc1OC 61898015 VDFVFZFINLSZCB-OAQYLSRUSA-N 388.439 3.455 0 3 GGAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@]3(O)[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@]32O)C1 2356644372 DBQCBBBEPAOTHW-LQWMXYHQSA-N 390.520 3.316 0 1 GGAF CC[C@@H](C(=O)N1CCCC1)n1cnc2onc(-c3ccc(Cl)cc3)c2c1=O 21647693 SXPWPXVGAXAEJX-AWEZNQCLSA-N 386.839 3.278 0 1 GGAF COc1cccc2c1N(C(C)=O)[C@@]13CCC[C@@]4(CC1)[C@H](OC)CCN1CC[C@]23[C@@H]14 2356759472 SBYZZLKGHWVOBE-MENZVKOBSA-N 396.531 3.495 0 1 GGAF O=C(Nc1ccccc1)[C@H]1CN2CC[C@H]1C[C@H]2Cn1cc(C2=CCCC2)nn1 2356827261 HOVHQBASUQIYSJ-IHPCNDPISA-N 377.492 3.195 0 1 GGAF Nc1nc(-c2cc3c4c(c2)Oc2ccccc2N=C4NN3)cc(N2CCCC2)n1 142665912 DSNGRWRSFJWFQE-UHFFFAOYSA-N 385.431 3.440 0 1 GGAF COc1ccccc1C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O 33819153 HENQCOBRCXLFNN-OAQYLSRUSA-N 385.423 3.241 0 1 GGAF COc1ccc2c(c1OC)[C@@H](OC(C)=O)[C@H]1c3c(cc4c(c3-2)OCO4)CCN1C 14931249 WPCZROVYBARYJT-DENIHFKCSA-N 397.427 3.246 0 1 GGAF biogenic CC(C)CO[C@H]1C[C@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40933994 QDHKBIPGDXCJCB-BBRMVZONSA-N 380.876 3.337 0 1 GGAF COCc1[nH]nc2c1[C@@H](c1ccc3c(c1)OCO3)N(c1ccc(OC)cc1)C2=O 199731248 OOLQIVYVOIJUMT-HXUWFJFHSA-N 393.399 3.043 0 3 GGAF O=C(c1ccc(F)cc1)N(CC1CCC1)C[C@@H]1N[C@H](CO)[C@@H]1c1ccccc1 95895840 DMHXWWBXSKPLMN-BHDDXSALSA-N 382.479 3.185 0 1 GGAF CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CN(CC)C(=O)c1cccc(F)c1 95895979 IEPBIIJIEGXQRE-TUNNFDKTSA-N 398.478 3.053 0 1 GGAF CCCCOc1cccc(C(F)(F)CN(CCCOC)CC(=O)N(C)C)c1 148743111 UTJKBMBIMFSVGN-UHFFFAOYSA-N 386.483 3.384 0 1 GGAF CCCCCC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H](O5)C1=O 253638066 NTMSESUVSZGDEE-PMMGOAQLSA-N 383.488 3.006 0 1 GGAF Cc1ccnc([C@H]2C[C@@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)n1 261134913 LWHGNBWGPDYQSC-MZKGEVEHSA-N 376.432 3.098 0 1 GGAF COCCN1CC(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)c2)C1 653767526 XZKKBYFBNWYYKR-UHFFFAOYSA-N 390.434 3.250 0 1 GGAF Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnc2nncn12 587776346 WUVMXSCHBRJWSY-XLFHBGCDSA-N 390.260 3.132 0 1 GGAF Cc1cc(F)c2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2c1 586945971 FBDIRJVAWXAUEF-AWEZNQCLSA-N 389.452 3.135 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)O)n(C)c2)N1 587752283 QOFIJIYAXBSNBZ-HUTHGQBESA-N 381.245 3.423 0 1 GGAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Br)c(C)nc3[nH]1)C2 587247440 RUZSOXUUIQGJJV-GOSISDBHSA-N 387.281 3.380 0 1 GGAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587076299 VIAGGWJWBMLFBS-UHFFFAOYSA-N 387.852 3.025 0 1 GGAF CCOC(=O)c1coc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587775206 PQVOSHKTVGYRQO-RMLUDKJBSA-N 383.217 3.377 0 1 GGAF CCCc1sc(=N)[nH]c1-c1nc2cc(I)cnc2[nH]1 587013343 LFDGZBRWVKGBFR-UHFFFAOYSA-N 385.234 3.051 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1cc(S(C)(=O)=O)ccc1O)CC2=O 587488864 RXLQKMNKJIRKLM-GOSISDBHSA-N 376.430 3.160 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(N)ccc(O)c41)[C@@H](C2)C3=O 587432241 IURIRBMXDUBYGA-OWJWWREXSA-N 399.402 3.219 0 1 GGAF CCOC(=O)[C@H](NC(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586994954 BZNVPLQFABFQRH-OAQYLSRUSA-N 388.423 3.495 0 1 GGAF Cc1nnc2sc(C(=O)NCc3ccc(-c4cnccn4)cc3)c(N)c2c1C 1772630081 CZHXCKYZNLISIF-UHFFFAOYSA-N 390.472 3.277 0 1 GGAF Cn1c(CNC(=O)c2cccc(Oc3cc(CN)ncn3)c2)cc2ccccc21 1857540883 PWHJYXTUBBBKLR-UHFFFAOYSA-N 387.443 3.149 0 1 GGAF CCOc1ccc(NC(=O)c2c(N)[nH][nH]c2=NC23CC4CC(CC(C4)C2)C3)cc1 1857770182 DISDKFHIKGXOKL-UHFFFAOYSA-N 395.507 3.446 0 1 GGAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CCOCC1 767086 HLSQGGKXWHZGOO-FPOVZHCZSA-N 380.444 3.036 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4151865 QYEQWAMLFYUAEE-SAWYMBPVSA-N 395.503 3.243 0 1 GGAF Cc1cc2nc(-c3cncn3C)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C 103249577 PXFFJAMXUZLLAE-UHFFFAOYSA-N 384.447 3.150 0 1 GGAF CCc1ccccc1OC[C@H](O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 27208537 CTGKMGBOANTQBI-VXIUPONVSA-N 399.468 3.392 0 1 GGAF O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2ncccn2)CC1 28711628 NVHYRJREVWGTFW-UHFFFAOYSA-N 380.826 3.003 0 1 GGAF CC(=N)N1CC[C@@H](Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)C1 29485231 KTJRHEDUTSBJEQ-CQSZACIVSA-N 389.406 3.195 0 1 GGAF CC(C)COC(=O)N1CCCC[C@H]1c1cc(C(=O)NCc2cccnc2)no1 61896091 VANUNFBEVNTAFK-KRWDZBQOSA-N 386.452 3.319 0 3 GGAF Cc1cccc(Oc2ccnc(N3CCN(C(=O)c4c(C)noc4C)CC3)n2)c1 39300738 FXLKLYROZMRKGU-UHFFFAOYSA-N 393.447 3.145 0 1 GGAF COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OCCN(C)C)cc3o2)cc1 40863117 KKGZAGJKVSTAST-UHFFFAOYSA-N 385.416 3.123 0 1 GGAF CC(C)(C)n1nc(-c2cnc3cc(OC(F)(F)F)ccc3c2)c(C(N)=O)c1N 221717238 YJMHWCFTOAMRPN-UHFFFAOYSA-N 393.369 3.433 0 1 GGAF CC(C)N1CCC(Oc2cc3[nH]c(C(=O)N4CCOCC4)cc3cc2F)CC1 40424518 HNFOMWLERPVGCM-UHFFFAOYSA-N 389.471 3.031 0 1 GGAF COC(=O)c1ccc(C[C@H](C)NC[C@@H](O)c2cccc(Br)c2)cc1 45302694 OOCOXCZDAWGKBU-SCLBCKFNSA-N 392.293 3.490 0 1 GGAF COc1cc2c(cc1O)[C@]1([C@@H](OC(C)=O)c3c(ccc4c3OCO4)[C@H]1C)N(C)C2 238758134 QMNLUGSVKGQYAU-CXFJHMDJSA-N 397.427 3.192 0 1 GGAF CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1C(C)C 148072627 MXPXICXYTFYLPQ-LAQFHYBYSA-N 393.413 3.319 0 1 GGAF c1ccc(CN2CC[C@H]3CN(c4ncnc5oc(-c6ccncc6)nc45)C[C@H]32)cc1 253819998 ZRQSQJJJAAWHOY-RBUKOAKNSA-N 398.470 3.391 0 1 GGAF O=Cc1ccc(OCc2occc2-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 586900765 LXKMGBLJUXPJFO-UHFFFAOYSA-N 386.371 3.190 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)/C=C/C(=O)O)cc1)O2 587389926 MWPYOXPHZRJILY-QQUYBBDPSA-N 380.400 3.037 0 1 GGAF C[C@]1(c2ccc(C[C@H](N)C(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511177 NPSZQPNAZQANEO-WMZHIEFXSA-N 379.456 3.400 0 1 GGAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)c1 586935032 DHKGMCGSOUMXSG-UHFFFAOYSA-N 390.362 3.403 0 1 GGAF CCOC(=O)c1c(-c2cnccn2)[nH]c2c1c(Br)cc1n[nH]cc12 587623572 JRCNXGHNZASJGO-UHFFFAOYSA-N 386.209 3.440 0 1 GGAF COc1cc(/C=C\c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)ccc1Br 586978077 WKVBZMALUQQWRG-HYXAFXHYSA-N 380.633 3.312 0 1 GGAF Cc1cc(=O)oc2cc(OCC(=O)n3ncc4ccc(Cl)cc4c3=O)ccc12 587652708 ZXWMFHBDFGUYLI-UHFFFAOYSA-N 396.786 3.184 0 1 GGAF CN(C)c1ncc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)n1C 962949834 CVCHTWMYZOLNPE-QGZVFWFLSA-N 394.441 3.246 0 1 GGAF COc1ccc2[nH]c(Br)c(CCNC(C)=O)c2c1Br 13781214 YRGTYQWTBUFELP-UHFFFAOYSA-N 390.075 3.380 0 1 GGAF CC(C)[C@@H](c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2cnn(C)c2)n1 204663404 DESXNAWHZSSUQU-KRWDZBQOSA-N 375.436 3.297 0 1 GGAF COc1cccnc1C1CCN([C@@H]2CCCN(c3cnc(C)cn3)CC2)CC1 1857571639 HGVSWTISVCYYPK-LJQANCHMSA-N 381.524 3.427 0 1 GGAF NC(=S)c1ccnc(-c2cn(CC(CF)CF)c3cc(CO)ccc23)c1 1857579788 GFBOYPJBWRYVCI-UHFFFAOYSA-N 375.444 3.385 0 1 GGAF O=S(=O)(NCC1=CCOc2ccccc21)c1ccc(Br)s1 1857606636 DPCGHAXAXBMYFR-UHFFFAOYSA-N 386.292 3.265 0 1 GGAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCC(C)(C)CO)c(OC)c1 777221 RKQIOUZIKSIRTO-UHFFFAOYSA-N 390.480 3.405 0 1 GGAF O=C(c1ccc(Cl)cc1Cl)[C@@]1(n2cncn2)Oc2ccccc2[C@H]1O 1504266 WJHUOYXIBZLMEM-IAGOWNOFSA-N 376.199 3.247 0 3 GGAF Nc1nc(N)c2c(OCC3CCN(Cc4ccc(F)cc4F)CC3)cccc2n1 28971715 NDCHLTBANQXRPM-UHFFFAOYSA-N 399.445 3.363 0 1 GGAF O=C1NC(=O)[C@@H](c2cc(Cl)ccc2[S@@](=O)Cc2ccc(Cl)cc2)N1 28226060 ABOWUFCCIBSPCV-JBEBIEQOSA-N 383.256 3.182 0 1 GGAF COC(=O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@](C)([C@H]1CC[C@@H](O)C1)C2 2356546498 MPUAIANXFQMSHQ-PISHQANHSA-N 387.259 3.451 0 1 GGAF CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCCCCn1c(C)ccc1C 2356762838 XEHFARUSJATBGT-OAQYLSRUSA-N 381.520 3.365 0 1 GGAF Nc1cccc2c1nc(-c1ccc(P(=O)(O)O)o1)n2CC12CCC(CC1)C2 45285713 ISUMPTGFGPBGDE-UHFFFAOYSA-N 387.376 3.262 0 1 GGAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CC[C@H](n5ccnc5)C4)ncn3)c2c1 225563960 UEAJQIHXCQRSIC-HNNXBMFYSA-N 389.463 3.455 0 1 GGAF Cc1cn(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)cc2)cn1 45390208 BSDGSNNJEWOOHP-UHFFFAOYSA-N 377.375 3.381 0 1 GGAF Brc1cccc(CN[C@@H]2[C@@H]3[C@@H]4[C@@H]5C[C@@H]3[C@@H]3[C@@H]5[C@H]([C@H]23)C42OCCO2)c1 195293505 WAUBOCWMTBAXMK-MCZNIBROSA-N 388.305 3.038 0 1 GGAF COc1cccc(N2c3cc(Cl)ccc3S(=O)(=O)c3c(N)n[nH]c32)c1 40422081 IQLIKAVCOBDLFG-UHFFFAOYSA-N 376.825 3.270 0 1 GGAF CCCCOCCCNC(=O)[C@H](C)NC(=O)c1coc(-c2ccccc2C)n1 82070504 YXQXKLYSVXCVRC-INIZCTEOSA-N 387.480 3.091 0 1 GGAF Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2nc(CO)cc2C)CC1 149804332 TWBGPAWOFRHVHU-FZNQNYSPSA-N 376.888 3.029 0 1 GGAF CC(C)C[C@H](CNC(=O)c1ccc(N)cc1)Cc1ccc2c(c1C(=O)O)OCO2 95920994 RIYOWUZQAXSMBW-AWEZNQCLSA-N 398.459 3.331 0 1 GGAF in-vitro CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cccc(Cl)c1 95794432 DLBWXYUMPSIVBF-TZIWHRDSSA-N 384.907 3.291 0 1 GGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)cnc4[nH]3)CC2)cc1 586955218 MWZFDOCVPMEHIS-UHFFFAOYSA-N 390.896 3.488 0 1 GGAF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cnncc2[nH]1 587141499 RIELORWYEWJXCU-ZDUSSCGKSA-N 397.863 3.211 0 1 GGAF COC(=O)C[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587773261 PXYQWEASUVLZKY-ZMZPIMSZSA-N 393.256 3.324 0 1 GGAF Cc1nn(C(C)C)cc1C(=O)c1c(CO)oc2cc(Br)cnc12 587277090 ZHAIAMRSEZYDFH-UHFFFAOYSA-N 378.226 3.399 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC=O)(c2ccccc2)N1 587753969 ILAUIGMUJFNORP-KZULUSFZSA-N 377.257 3.112 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(CCc3scnc3C)[nH]c2c1 587027375 CRAQJAWHTCBZKC-UHFFFAOYSA-N 378.523 3.191 0 1 GGAF Cc1cnc2[nH]c([C@H](N)Cc3ccc(I)cc3)nc2c1 587186496 VURGJDKIIGLBIJ-GFCCVEGCSA-N 378.217 3.113 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(Cc1cc(OC)c(OC)c(OC)c1)[C@@H](C2)C3=O 587445503 ZOTSXLMQGRQQHV-NYHFZMIOSA-N 384.428 3.470 0 1 GGAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)NC[C@@H]1CCCO1 587661693 RSNWKOGWXXZKIO-HNNXBMFYSA-N 383.448 3.104 0 1 GGAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Cl)c(F)c(F)c2[nH]1 586929484 DOVMIEMYGJVMJM-UHFFFAOYSA-N 387.795 3.029 0 1 GGAF CCOC(=O)CC[C@@]1(c2ccccc2C)NCCc2ccc(C(=O)N(C)C)cc21 962924510 KLJXPJYICDEEFU-DEOSSOPVSA-N 394.515 3.429 0 1 GGAF COc1ccc(NC(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)cc1Cl 12639567 UTENLUJGDPORNR-BRRVFRNMSA-N 393.867 3.162 0 1 GGAF CN(C)C[C@@H](O)COc1ccc(Nc2cc(Nc3ccccc3F)ncn2)cc1 13537866 SWMQQDMSIPPGRF-MRXNPFEDSA-N 397.454 3.404 0 1 GGAF COc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(C(=N)N)c2)cc1 13558001 GIRHEUHHICWPKH-UHFFFAOYSA-N 388.427 3.484 0 1 GGAF O=C(Cc1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc32)CC1 13679964 SGCOMMNJQDAQNU-UHFFFAOYSA-N 390.527 3.285 0 1 GGAF Cc1ccc2ncc(S(=O)(=O)c3cccc(F)c3)c(N3CCOCC3)c2c1 201538854 PJKXFDQLXLWXQI-UHFFFAOYSA-N 386.448 3.352 0 1 GGAF c1ccc(CO[C@@H]2CO[C@@H]3[C@H](Nc4nccc(-c5cccs5)n4)CO[C@@H]23)cc1 25434227 AZKIQFCMNYTTMH-LFGUQSLTSA-N 395.484 3.369 0 1 GGAF biogenic Cc1ccc2nc(CO[C@@H]3CN(Cc4ccc(C(=O)O)cc4)C[C@@H]3F)[nH]c2c1 2356299812 OPJAVZGZWHPNPI-QFBILLFUSA-N 383.423 3.309 0 1 GGAF CN(c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1)C1CCNCC1 116231592 YBSWQCILJHSKIU-UHFFFAOYSA-N 380.423 3.322 0 1 GGAF CC=C[C@@H]1O[C@@H]2Cc3c(ccc4c3C[C@H](O)C[C@H](O)C4)[C@@H]3CC[C@H]([C@]1(C)O)[C@@]32C 2356396351 IVFLABXZDZRHJH-JYXRWSBESA-N 398.543 3.048 0 1 GGAF CC(=O)N1CCc2cc(NC(=O)[C@@]3(C)CCN3CCc3ccccc3)ccc21 61895458 BTKNVWRBPIHKLF-HSZRJFAPSA-N 377.488 3.241 0 3 GGAF CC(=O)O[C@@H]1C=C2C(=O)OC[C@]23CC[C@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@H]3C1 14446232 ALSAICPZWKIBDE-UJVMCPMHSA-N 388.460 3.107 0 1 GGAF biogenic Cc1ccc(CN2C[C@H](N3CCC(Cc4ccccc4)CC3)CS2(=O)=O)cc1 72136758 AXZAEWFGCVOHAV-QHCPKHFHSA-N 398.572 3.464 0 3 GGAF Cc1cc(N2C(=O)c3nn(C)c(C)c3[C@H]2c2ccc(Cl)cc2)cn(C)c1=O 220381344 QKILPYXMYOTNIL-GOSISDBHSA-N 382.851 3.139 0 1 GGAF O=C(NCc1ccccc1F)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 43186543 MGFIOQPFNQQNNF-UHFFFAOYSA-N 391.468 3.322 0 1 GGAF Cc1ccccc1-c1nc(N2CCC[C@@H](C(N)=O)C2)ncc1-c1nc(C)c(C)o1 82177439 QSGNYXRCIUMOLX-MRXNPFEDSA-N 391.475 3.426 0 1 GGAF Cc1ccc(-c2nc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)co2)cc1 82074224 BUSZMIIJGXQJLK-SFHVURJKSA-N 380.400 3.050 0 1 GGAF CC(=O)C[C@@]1(O)C(=O)c2cc3c(c4c(C)cc(O)c(c24)C1=O)O[C@H](C)C3(C)C 40835427 WQZQJCVZIJHWNU-RKFFSXRUSA-N 382.412 3.002 0 1 GGAF COc1cc(OC)cc(N2CCN(CC[C@H](OC(N)=O)c3ccccc3)CC2)c1 95580154 AHQXVXFATMEEMK-NRFANRHFSA-N 399.491 3.053 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1 95599462 IQWOWKWVUFOMSR-SFHVURJKSA-N 393.411 3.200 0 3 GGAF Fc1ccc2c(c1)C[C@H](c1nc3cc(I)cnc3[nH]1)O2 587175017 VKBYDUMHOZOTDJ-GFCCVEGCSA-N 381.148 3.378 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nc(C)c(C)c1C 587869004 ZZOIFBPNQPPXRA-UHFFFAOYSA-N 393.369 3.435 0 1 GGAF COc1cc(-c2nc3cc(F)c(F)cc3[nH]2)ccc1OCC(=O)NC(C)C 587226709 XLNLQVBSLVVWDV-UHFFFAOYSA-N 375.375 3.420 0 1 GGAF Cn1cc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587582403 PHDYCLUWERLKPC-UWJYYQICSA-N 388.383 3.219 0 1 GGAF CCOC(=O)C[C@@]1(COC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346217 IARLYZUDDMXCRE-CTNGQTDRSA-N 388.391 3.229 0 1 GGAF CN(C)CCOc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587039757 FOGVDDVLLCUOJN-PMACEKPBSA-N 382.533 3.450 0 1 GGAF COc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cn1 587001970 CHSRJGIYVGUWPJ-VIFPVBQESA-N 388.221 3.364 0 1 GGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccncc2)([C@@H]2CCSC2)N1 963225246 CXXOKRJFYRIXQJ-PDXHDDNESA-N 391.496 3.225 0 1 GGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cnn(-c3ccccc3F)c2)N1 963239622 XNSRLGHTVDSKLQ-PZJWPPBQSA-N 388.402 3.248 0 1 GGAF CCS(=O)(=O)NCc1cncc(N2C(=O)c3ccc(Cl)cc3C2(C)C)c1 224485652 WEWVRUVCYFDMLI-UHFFFAOYSA-N 393.896 3.070 0 1 GGAF C[C@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(Cc2ccccc2)C1 1772621929 FVAXLUMQHHCAJY-OAHLLOKOSA-N 393.491 3.119 0 1 GGAF CCO[C@@]1(C)OC(=O)C(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1 13488589 RTCBYXJWDJFNFR-FQEVSTJZSA-N 390.432 3.450 0 1 GGAF NC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)nc2c1 13612124 FGCLPCSCKFKUNN-UHFFFAOYSA-N 392.440 3.130 0 1 GGAF Cc1ccc(CN2C(=O)[C@@](O)([C@H]3C(=O)N(C)c4ccccc43)c3ccccc32)cc1 206045765 WZMRHTUMZNQGSL-RDGATRHJSA-N 398.462 3.490 0 3 GGAF CC(C)NC(=O)c1csc(N2CCN(Cc3ccc(Cl)cc3)C2=O)n1 205231106 HYUQNCOZWGEOIT-UHFFFAOYSA-N 378.885 3.377 0 3 GGAF COc1ccc(N2C(=O)CN(Cc3ccc(F)c(F)c3)C2=S)cc1OC 1857640112 ZDMPQQVTNYURAX-UHFFFAOYSA-N 378.400 3.116 0 1 GGAF COc1ccc2c(c1)C[C@@H](n1c(C)nc3ccc(-c4cc(N)[nH]c(=N)c4)nc31)C2 1857654289 UDGAFXWTODQSMC-INIZCTEOSA-N 386.459 3.145 0 1 GGAF O=C(CCCN1CCC2(CC1)NC(=O)c1ccccc1O2)c1ccc(F)cc1 1640505 IKMRLHQYUJWLGF-UHFFFAOYSA-N 382.435 3.403 0 1 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NC[C@@H](O)CC 4152389 URGRKJHTNNHKQB-YJLNNSPDSA-N 388.489 3.126 0 1 GGAF CCOC(=O)C1=C(NC(=O)Cc2ccc(OC)cc2)Nc2ccccc2N=C1C 8687737 HFEFYPXGHQLMIM-UHFFFAOYSA-N 393.443 3.347 0 1 GGAF O=C(COC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2)Nc1ccc(OC(F)F)cc1 102117213 VLDRLDXWBVSWHM-BHRWCRGXSA-N 395.402 3.101 0 1 GGAF CC(=O)Nc1ccc(Nc2ccnc(N[C@@H](CO)Cc3ccccc3)n2)cc1 64499133 FVRILGGBEZKFJQ-LJQANCHMSA-N 377.448 3.194 0 1 GGAF O=c1[nH][nH]c2nc(CNCCc3ccc(Cl)c(Cl)c3)nc3cccc1c32 59275404 XWKQZZOQJMCBSM-UHFFFAOYSA-N 388.258 3.439 0 1 GGAF CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 73199733 JAMCBKXKYHTDIN-UHFFFAOYSA-N 398.532 3.484 0 1 GGAF CCc1ccc([C@H]2C[C@H]3CC[C@H](N3)[C@H]2C(=O)OC)cc1I 36270846 BSMPOYNWUIFFDN-VDERGJSUSA-N 399.272 3.251 0 1 GGAF CN1CCC[C@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 35967642 ZXBGDMYNCLFGDV-AWEZNQCLSA-N 385.339 3.485 0 1 GGAF Cc1nccn1-c1ccc(Cn2cc(C(=O)O)c(=O)c3c(F)cccc32)cc1 45385801 YUFBPDKWICPGGJ-UHFFFAOYSA-N 377.375 3.381 0 1 GGAF C[C@H]1CN(c2cc(-c3n[nH]c4ccc(-c5ccnn5C)cc34)ncn2)C[C@@H](C)O1 225572842 SNCGBRXMOBPHSP-OKILXGFUSA-N 389.463 3.034 0 1 GGAF CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 80597583 QRJOQYLXZPQQMX-QPBADICDSA-N 390.520 3.317 0 1 GGAF O=C1OCc2c1c(-c1cc3c(cc1O)OCO3)c1c3c(ccc1c2O)OCO3 238754612 PNHNOLIAAROUDP-UHFFFAOYSA-N 380.308 3.046 0 1 GGAF CNC(=O)Cn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144865770 NAXPDMPEHJBDJZ-IBGZPJMESA-N 387.361 3.075 0 1 GGAF CC(=O)OC[C@]1(O)OC[C@@]23CC[C@@H]4[C@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@H]2CC[C@H]31 253634753 NMXQNNZLXKLLEI-XNONYCQISA-N 390.520 3.188 0 1 GGAF Cc1cc2cc(NS(=O)(=O)c3cc(Br)cnc3N)ccc2[nH]1 618010340 UDVMTMQAUJCINK-UHFFFAOYSA-N 381.255 3.017 0 1 GGAF O=C(O)C[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609711 PFDDYFZCDCVCSI-KNQAVFIVSA-N 392.363 3.430 0 1 GGAF Cc1csc([C@](O)(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)C(F)(F)F)n1 587094888 VQJREFCLJKLTGS-LLVKDONJSA-N 397.304 3.081 0 1 GGAF Oc1nc(-c2nc3c(I)cnc(Cl)c3[nH]2)cs1 587018422 ZZHAHIVINDCKAX-UHFFFAOYSA-N 378.582 3.045 0 1 GGAF COCC(=O)Cc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 587563622 VSJSXYXUGREJLU-UHFFFAOYSA-N 378.388 3.047 0 1 GGAF CCOCc1ccc(-c2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)o1 586903172 MKGGSHINDOGPFC-UHFFFAOYSA-N 377.466 3.390 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cccc(OC(=O)c4ccnn4C)c1)[C@@H](C2)C3=O 587429846 BFFICZGQVHGEQB-HRAATJIYSA-N 390.395 3.137 0 1 GGAF Fc1ccc([C@H](CN2CCN(c3cnccn3)CC2)NCc2cccs2)cc1 198327733 RYEHLSSLBFAZNZ-FQEVSTJZSA-N 397.523 3.330 0 1 GGAF COc1cc(-c2nc(CN(C[C@@H]3CCC(=O)N3)C(C)C)c(C)o2)ccc1F 11843524 BFIRRXAHBASMLR-HNNXBMFYSA-N 375.444 3.287 0 1 GGAF COc1cc(C(=O)c2cccc(-c3ccc(C(N)=O)cc3)n2)cc(OC)c1OC 1857547339 KSXXIKIINKLRIE-UHFFFAOYSA-N 392.411 3.104 0 1 GGAF Fc1cnccc1CNC[C@@H]1COCc2nc3cc(C(F)(F)F)ccc3n21 2356429061 IQTKLAKPMGKNBS-CYBMUJFWSA-N 380.345 3.450 0 1 GGAF O=S(=O)(c1ccccc1)N1CCN(c2nc(C3CC3)nc3ccccc23)CC1 6773462 BWWQBTBTUJOKEW-UHFFFAOYSA-N 394.500 3.018 0 1 GGAF CSc1cccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1 6778851 OEGDIMHSMSNGFW-UHFFFAOYSA-N 384.866 3.194 0 1 GGAF CCCC[C@@]12[C@H]3C[C@H]4[C@H]5[C@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 101494681 DTVYAHOULQCSMS-UZCREMHNSA-N 387.476 3.090 0 1 GGAF COc1cc2c(C(=O)N(C)c3cccc(Cl)c3)cn(C)c(=O)c2cc1OC 9776649 PDLKKJCRQQJPCY-UHFFFAOYSA-N 386.835 3.486 0 1 GGAF Cn1nc(C(=O)NCCCCCC(=O)Nc2ccccc2N)c2ccccc21 117588580 JEIAWNUTOCPSAJ-UHFFFAOYSA-N 379.464 3.084 0 1 GGAF O=C(Nc1ccc(F)cc1)c1cncc(NS(=O)(=O)c2ccc(F)cc2)c1 21748362 ZIWDVCPDJWBCRL-UHFFFAOYSA-N 389.383 3.413 0 1 GGAF CS(=O)(=O)c1cccc(-c2csc3ncnc(Sc4nc[nH]n4)c23)c1 114808044 CAPYQMUNLCCBNV-UHFFFAOYSA-N 389.487 3.031 0 1 GGAF N=C(NC/C=C(\c1ccc(F)cc1)c1ccccn1)NCCCc1c[nH]cn1 29572066 FZGVIVHYTULKOJ-VXLYETTFSA-N 378.455 3.122 0 1 GGAF CCC(C)=CC(=O)O[C@@H]1CC=C2C[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@@H]1C 2356506891 RDBSDZCKXOOWMU-KOMSSTCPSA-N 390.476 3.208 0 1 GGAF CC(C)(C)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)C(=O)NCN2c1ccccc1 28566578 KDKPFZKAUPTLMB-XXBNENTESA-N 385.552 3.135 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H](C(C)=O)[C@@H](O)C[C@@H]32)C1 2356640959 XAKNMTJKMPVPIR-HWXUKBSQSA-N 392.536 3.108 0 1 GGAF Cc1c(NC(=O)Cc2ccc(Br)cc2)ccc2nc(N)nc(N)c12 25970276 NKIBCARHJYUPCY-UHFFFAOYSA-N 386.253 3.046 0 1 GGAF CC1(C)CC(C)(C)c2nc(C(=O)Nc3cc(C(=O)O)cc(C(=O)O)c3)cnc21 26822899 CGSIJUCTVBHRFX-UHFFFAOYSA-N 383.404 3.084 0 1 GGAF C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Br)cn1 1911572931 GVWNMTULPZACTR-JTQLQIEISA-N 378.226 3.054 0 1 GGAF CN(CCCN(C)C(=O)c1ccccc1)C(=O)C(=O)c1c[nH]c2cccc(F)c12 45289267 SIPASFNQNFEGLQ-UHFFFAOYSA-N 395.434 3.110 0 1 GGAF COc1cccc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1 139830847 GHPSROQRQLDECX-UHFFFAOYSA-N 385.427 3.268 0 1 GGAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCCc1cccc(F)c1 82212924 ZTILLVYOXNIYOR-UHFFFAOYSA-N 392.482 3.300 0 1 GGAF O=C(NCc1ccccc1)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccccc1 95568929 XMOIZHIDVVHVMR-QHCPKHFHSA-N 386.451 3.465 0 3 GGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc(Br)cc41)[C@@H](C2)C3=O 587416416 AQPVQRLZPMLREK-KPZWWZAWSA-N 386.201 3.053 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C(/C=C\C(=O)O)=COc4ccccc41)[C@@H](C2)C3=O 587451546 IBEORQNGBYJCCQ-FZSWMLOVSA-N 376.364 3.255 0 1 GGAF CCOC(=O)[C@]1(c2c(O)[nH]c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587395391 BYTFEGXYYPFHOW-OAQYLSRUSA-N 380.400 3.188 0 1 GGAF CCC[C@]1(CC(=O)C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594314 GJUSCGKPGVJRIG-XMSQKQJNSA-N 398.411 3.415 0 1 GGAF CCOC(=O)C1[C@@H]2CC3(C[C@@H]12)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 587593963 GFBMIVOENVVGQN-JRKGEYBBSA-N 380.396 3.312 0 1 GGAF CCOC(=O)C[C@]1(COCc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587397868 BXWQPHXATXSEEF-QFIPXVFZSA-N 383.444 3.451 0 1 GGAF CCOC(=O)[C@]1(CC(=O)C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799673 UDALPMKAIBPTID-XTZNXHDOSA-N 398.272 3.250 0 1 GGAF COc1cc2c3c(c1)O[C@@](CCN1CCOCC1)(c1ccccc1)[C@@H](C2)C3=O 587442376 IWONBDBRFOTEFT-CVDCTZTESA-N 379.456 3.060 0 1 GGAF CCS(=O)(=O)c1ccc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2c1 587951943 KIUSNSSRUCJXIT-NFOMZHRRSA-N 380.510 3.434 0 1 GGAF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)c(C)n1 587648518 ASXKXTFFXWWWEA-UHFFFAOYSA-N 399.394 3.346 0 1 GGAF CN(C)c1ncccc1-c1nc2c(Cl)ncc(I)c2[nH]1 587195215 DVBPXYTVGUDDMV-UHFFFAOYSA-N 399.623 3.344 0 1 GGAF CN(C)c1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587275440 AUXABZFDBGSTJX-UHFFFAOYSA-N 375.222 3.380 0 1 GGAF CCOC(=O)[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587773101 HZOPKIHTOSSKOJ-VOJFVSQTSA-N 393.256 3.324 0 1 GGAF COC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)NCCc2ccc(O)cc21 963351635 HSANVEJEDMYCRV-IBGZPJMESA-N 394.254 3.221 0 1 GGAF Cc1cnn(CCF)c1[C@@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962717965 RETXUFKEIZZIBB-UONOGXRCSA-N 389.324 3.007 0 1 GGAF O=C1[C@H](N2CC[C@@H](c3ccc(O)cc3)[C@H](F)C2)CCN1Cc1ccc(F)cc1 1772652175 XFXAVVJYLLLZPG-PWRODBHTSA-N 386.442 3.460 0 1 GGAF COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](c1ccccc1F)C(C)(C)O 1772640380 UARARIOSCGMOEN-LJQANCHMSA-N 383.423 3.466 0 1 GGAF Cc1cc(O)c2c(c1)C(=O)C[C@H](c1c(C)cc3c(c1O)C(=O)CC[C@@H]3O)[C@H]2O 14616413 XXBQCKGZTFHKKF-HKZYLEAXSA-N 382.412 3.128 0 1 GGAF biogenic CCC(CC)(NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)C(=O)OC 150028443 QDFPOVRGHXOWDO-UHFFFAOYSA-N 388.386 3.351 0 1 GGAF O=C(NCCN1CC=C(c2cc(F)cc(F)c2)CC1)c1cnc2ccccc2n1 169335002 ANPCJRRUWSZGAG-UHFFFAOYSA-N 394.425 3.427 0 1 GGAF CC1=C(C(=O)OC(C(F)(F)F)C(F)(F)F)[C@H](c2cccs2)NC(=O)N1 1857544402 LDTPFQBUEHKUQL-QMMMGPOBSA-N 388.289 3.412 0 1 GGAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 772826 ZNFHIAXORATXBB-SOVGHPHASA-N 390.842 3.458 0 1 GGAF COc1cc(OCc2ccc3nc(OC)c(OC)nc3c2)cc(OC)c1OC 1638681 MZJGIUHOLRDUGO-UHFFFAOYSA-N 386.404 3.252 0 1 GGAF CC(=O)Nc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4ccccc4n3C)C2)cc1 2356302146 MQPUHZKHKHRRCD-WIYYLYMNSA-N 396.466 3.271 0 1 GGAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N1CCOCC1 4051325 HLSQGGKXWHZGOO-CTNGQTDRSA-N 380.444 3.036 0 1 GGAF CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4206306 CYGBEFLDXZSMEE-UXLLHSPISA-N 378.881 3.380 0 1 GGAF COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)cc(OC)c1 6006745 IOSKCEFQVANUTJ-QFBILLFUSA-N 386.444 3.295 0 1 GGAF COc1cc(NC(=N)N)ccc1-c1ccc(-c2ccc(NC(=N)N)cc2OC)o1 6483781 UTNIUXLNOKNKGA-UHFFFAOYSA-N 394.435 3.242 0 1 GGAF CC[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2C(=O)[C@H](N)CCSC 100706993 FKRBSIPVULUMDG-GZMOKQHVSA-N 376.566 3.304 0 1 GGAF COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccncc1 27852931 DLQGYUILXGWJPJ-REWPJTCUSA-N 379.504 3.243 0 1 GGAF O=S(=O)(c1ccccc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2)cc1 100101849 VFQNTJVAAYJDBX-JKHIJQBDSA-N 390.508 3.482 0 1 GGAF Cc1ccc(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)cc1C 117367830 IKRIJRYFPIMBDP-UHFFFAOYSA-N 377.488 3.023 0 1 GGAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1cc(OC)c(OC)cc1OC 100025617 WTOFAUPWSLHFFZ-UGDGIKRESA-N 391.420 3.134 0 1 GGAF O=C(C1CCOCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2F)cc1 100108142 FBDIOEJWUJRDGP-ZBYYUNFXSA-N 380.463 3.186 0 1 GGAF CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nc(C)cc2C)CC1 27988185 AZWXGHLVYZVFSX-UHFFFAOYSA-N 398.551 3.424 0 1 GGAF CC(C)Cc1ccc([C@H](C)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 29478086 NKPWNXGPVIPLLM-HNNXBMFYSA-N 385.485 3.402 0 1 GGAF F[C@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1OCc1nc2ccccc2[nH]1 2356465122 HIMROJUCPLVJCM-MGPUTAFESA-N 383.423 3.073 0 1 GGAF CC(C)CCCCCC[C@]1(O)C=C[C@@H]2N(CCCCCNC(=N)N)CCCN21 2356836080 KWWMOUZIZQPDLJ-IRLDBZIGSA-N 393.620 3.229 0 1 GGAF CC(C)(C)N1CCN(c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1=O 139790461 VOENODSCQBOKGH-UHFFFAOYSA-N 398.482 3.419 0 1 GGAF N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCCc2ccccc21 40892661 JLUDRHIPKDDSJG-FQEVSTJZSA-N 395.503 3.390 0 1 GGAF Cc1c(C)c2ccc(O[C@@H](C)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2oc1=O 82119849 XLNLCLWTBKGAEG-HKARXFIJSA-N 399.487 3.331 0 1 GGAF N#CN=[S@](=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccccn1 1911585972 GDAHMFIDUIIGMC-MHZLTWQESA-N 381.461 3.104 0 1 GGAF O=C(N[C@@H](CSCc1ccc2ccccc2c1)C(=O)O)c1ncccc1O 84669904 ATHOTSVECZJAJD-INIZCTEOSA-N 382.441 3.057 0 1 GGAF Cc1cccc(S(=O)(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)c1 95575993 FMFOJRFCJXRDIA-UHFFFAOYSA-N 389.864 3.487 0 1 GGAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)CC)C23CN(CCC(F)(F)F)C3)cc1 95794011 OXPIPBJZSPYAON-UJNJHQOQSA-N 396.453 3.423 0 1 GGAF COc1ccc(/C=C/S(=O)(=O)Nc2c(OC)cc(OC)cc2OC)cc1 96906799 WKBXSYINPQHHQA-MDZDMXLPSA-N 379.434 3.134 0 1 GGAF O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F 95864468 BWPSJVHIGMZLPS-QZTJIDSGSA-N 396.453 3.170 0 1 GGAF Cc1cc(O)cc(O)c1[C@H]1c2ccc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1O 238762513 BOQHWAHDEDILLJ-VSKRKVRLSA-N 380.396 3.444 0 1 GGAF Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)nc1N(C)C 253679140 RUWDCXXLJIBDAO-GASCZTMLSA-N 389.450 3.282 0 1 GGAF Cc1cc(CO)n(C[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC2)n1 261070988 ACRFXQOGJGDSAR-KOMQPUFPSA-N 376.888 3.029 0 1 GGAF N=c1ncc(-c2ccc(-c3cccnc3O[C@H]3CC[C@H](N)CC3)cc2F)c[nH]1 473227480 NAHAWLGCGCLSOD-WKILWMFISA-N 379.439 3.406 0 1 GGAF COc1ccc(-c2cc(NC(=O)N[C@H](C(=O)O)C(C)C)c(C(=O)O)s2)cc1 299865457 TXGPIYBFGTWXPV-AWEZNQCLSA-N 392.433 3.353 0 1 GGAF CCOC(=O)C1=C(OCc2ccccc2)C(=O)N(Cc2ccc(OC)cc2)C1 653710265 KYYKWQVSAHIBLB-UHFFFAOYSA-N 381.428 3.071 0 1 GGAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587769865 GXGFGGKVHCTABU-XXFAHNHDSA-N 379.229 3.393 0 1 GGAF N[C@H](c1nc2cccc(I)c2[nH]1)c1ccc(F)cc1F 587151975 XLLQUHAQZGVPKK-LBPRGKRZSA-N 385.155 3.494 0 1 GGAF C[C@@H](F)[C@@H](N)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587122301 CRGAMZYBZMJJKI-RFAUZJTJSA-N 382.848 3.375 0 1 GGAF COC(=O)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587774491 VWZKSFSUYLZRGB-XXFAHNHDSA-N 379.229 3.393 0 1 GGAF CN(C)S(=O)(=O)c1cccc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 587108493 RMKYOXFXAQLLKI-UHFFFAOYSA-N 383.395 3.423 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599417 XHJWQIFXURXVNS-AVRDEDQJSA-N 398.411 3.271 0 1 GGAF N[C@@H](Cc1nc2cc(I)cnc2[nH]1)c1ccccc1Cl 587055347 AYPSPOZLWIOZCC-NSHDSACASA-N 398.635 3.458 0 1 GGAF O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Cl)ncc3[nH]2)c1)N1CCC1 586956013 QPSAWTOUGLEZMG-UHFFFAOYSA-N 383.260 3.326 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c2c1 587253218 DCYUKNPXVLDTRZ-UHFFFAOYSA-N 395.488 3.221 0 1 GGAF NC1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1 1772595803 ZIJRMCGLMZBVMG-UHFFFAOYSA-N 388.349 3.224 0 1 GGAF Cn1c(Oc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc(=O)n(O)c1=O 1857569818 UWXSDJALDISWHA-UHFFFAOYSA-N 378.306 3.262 0 1 GGAF COc1ccccc1Cc1cc(C)nn(CC(=O)Nc2ccc(Cl)cc2)c1=O 1857590104 RUVZMLQIVIIOJT-UHFFFAOYSA-N 397.862 3.443 0 1 GGAF COc1ccc(CC(=O)N2N=C(c3ccccc3C)C[C@]2(O)C(F)(F)F)cc1 1857751448 LYTVLGMQEUSUMM-IBGZPJMESA-N 392.377 3.434 0 1 GGAF CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4206523 FXGUTGXNRGUPSS-MJGOQNOKSA-N 389.883 3.483 0 1 GGAF CC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CCN1CCc2ccccc21 4215688 CAHJSWKXQYHACS-UHFFFAOYSA-N 399.560 3.444 0 3 GGAF O=C(Nc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1)c1ccccn1 58592164 QUKSQHJJLBHGAO-UHFFFAOYSA-N 389.383 3.413 0 1 GGAF CCO/C(O)=C1\C(C)=Nc2nc(SC)nn2[C@@H]1c1ccc(C(=O)OC)cc1 101932436 IUYNFMVCKINARD-LBFFYKKLSA-N 388.449 3.288 0 1 GGAF CS(=O)(=O)c1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114332171 DLFCOOXTMLTEEG-SFHVURJKSA-N 384.505 3.043 0 1 GGAF O=C(O)c1ccccc1NC(=O)N1CCN(c2nsc3ccccc23)CC1 28969596 LBYIJUGEZSYECG-UHFFFAOYSA-N 382.445 3.349 0 1 GGAF CN1CCN(c2cc3c(Nc4cccc(Br)c4)ncnc3cn2)CC1 21289289 FTYUEIQBPIWEPZ-UHFFFAOYSA-N 399.296 3.283 0 1 GGAF COc1cccc2c1N(C(C)=O)[C@@]13CCC[C@]4(CC1)[C@H]1N(CC[C@H]4OC)CC[C@]213 2356759471 SBYZZLKGHWVOBE-GKMGCJOJSA-N 396.531 3.495 0 1 GGAF CC(C)c1ccc(N2C(=O)N[C@@H]3CCN(C(=O)c4cccs4)[C@@H]3C2=O)cc1 4260692 KHFXSVWNVUSJHV-WBVHZDCISA-N 383.473 3.211 0 1 GGAF biogenic C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@H]21)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 71318997 TZWPFVYIIXJLMW-ANEGFRBBSA-N 394.552 3.059 0 1 GGAF CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)c2cccnc12 34855172 BJFSIQMPBIYEDN-UHFFFAOYSA-N 386.429 3.221 0 1 GGAF N[C@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 45367228 OPTAOWZLDMSBKX-HNNXBMFYSA-N 392.484 3.086 0 1 GGAF CC[C@H](C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224731029 HYWJGELLQQWEKQ-LBPRGKRZSA-N 386.452 3.499 0 1 GGAF CC[C@H](C)c1nc2nc(N3CCC(O)(Cc4ccccc4)CC3)ccc2[nH]c1=O 82231319 LTKXQCRNUHJYHI-INIZCTEOSA-N 392.503 3.406 0 1 GGAF CC(=O)OC[C@@H]1C[C@H](O)[C@@]2(C)C(CO)=CCC[C@@H]2[C@@]1(C)CC[C@H](C)CCO 238755022 AQSSUGKCWXLUFO-VLUICMSQSA-N 382.541 3.070 0 1 GGAF CC[C@]1(O)CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)OC)C[C@@]42CN(C)C1 238746833 NEGWEUWYIYCILR-YMSCAMSISA-N 389.536 3.123 0 1 GGAF CCOC(=O)[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587794134 GANGVFHVNRKRDJ-JEIZZZKLSA-N 386.261 3.106 0 1 GGAF N[C@H](N=O)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587149688 PTDMLBGTBSWVEW-KZULUSFZSA-N 385.374 3.081 0 1 GGAF CN(C)CCOc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 587074919 ANRIENNTDASNMV-UHFFFAOYSA-N 382.855 3.404 0 1 GGAF Cc1c(Br)cc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1C 586967100 URUVBWWJNOLLIA-UHFFFAOYSA-N 381.255 3.436 0 1 GGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(F)c(F)c2[nH]1 586965111 KYFXUVAVKBGSGQ-UHFFFAOYSA-N 389.435 3.298 0 1 GGAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(O)nc(S)nc2[nH]1 587191271 SSXFEOXBAIPLQD-GFCCVEGCSA-N 387.465 3.304 0 1 GGAF COC(=O)c1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cn1 587205063 NNZUXLBOLBAWKM-CQSZACIVSA-N 376.457 3.226 0 1 GGAF C[C@H](Sc1ncccn1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586960256 AIEUWGGYNQKBCN-NSHDSACASA-N 379.449 3.266 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(C(=O)O)OC=C1OCc1ccccc1)O2 587407603 DCQNSPSGRNZYJL-QFIPXVFZSA-N 393.395 3.338 0 1 GGAF O=C(c1cccc2c1OCCO2)c1c(CO)oc2cc(Br)cnc12 587275438 AUJSYRNTGADUGT-UHFFFAOYSA-N 390.189 3.085 0 1 GGAF CSc1ncc([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)[nH]1 962645933 SGBZVYKIFAKGRL-VQTJNVASSA-N 382.489 3.042 0 1 GGAF Cc1cc2c(cc1O)[C@@H](c1c(F)cc(Br)cc1F)N[C@H](C(=O)O)C2 963529778 XXUGRDHJHOMDTQ-BBRMVZONSA-N 398.203 3.430 0 1 GGAF C[C@]1(CN)CCc2ccccc2[C@@]12c1c(Cl)ccc3c1CCN2[C@@H]3C(=O)O 962573214 MXZBXCBTUHNODQ-KSEOMHKRSA-N 382.891 3.492 0 1 GGAF COc1c(Br)ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c1F 962916454 DVNBHRFRHBXIEK-WFASDCNBSA-N 398.203 3.424 0 1 GGAF COc1cc(O)c([C@H](CC(=O)N2CCCC2)c2ccc3c(c2)OCO3)c(OC)c1 13661313 WGQXFGMKJAECEF-MRXNPFEDSA-N 399.443 3.283 0 3 GGAF COc1cccc([C@@H]2[C@H](C(N)=O)C(C)=Nc3nc(-c4cccc(Cl)c4)nn32)c1 169691142 HILWEQMRKJRWJY-IAGOWNOFSA-N 395.850 3.404 0 1 GGAF Cc1nnc([C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C 202519693 UMDMNBRNMFOPJT-QGZVFWFLSA-N 390.896 3.039 0 1 GGAF COc1ccc(-c2cccc(NC(=O)CCc3cccc4c3B(O)OC4)c2)cc1 1857593082 PINDWSPAMBPBKT-UHFFFAOYSA-N 387.244 3.151 0 1 GGAF CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4055146 QYIGWFDBHGMVLK-HKUYNNGSSA-N 389.883 3.483 0 1 GGAF COc1cc2c(cc1OC)[C@H](Cc1cccc(OC)c1OC)C(=O)N(C)CC2 4173567 LYSJMIMZGBQZMH-KRWDZBQOSA-N 385.460 3.062 0 1 GGAF COc1ccc(OC)c(NC(=O)CCCN2C(=S)NC(C)(C)C[C@H]2C)c1 8690764 SVBGPDUXMRNGLY-CYBMUJFWSA-N 379.526 3.170 0 3 GGAF C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102674666 GFXNSRGUUZHOAC-UGFHNGPFSA-N 399.447 3.227 0 3 GGAF O=C(O)[C@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)O)CCc1ccccc1 28265154 YDLSLXIGMPNXTQ-LPHOPBHVSA-N 381.428 3.143 0 1 GGAF Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@H]2COc3cc(F)ccc3O2)CC1 27899716 YXVVUQJDVSLLRF-KRWDZBQOSA-N 397.450 3.254 0 1 GGAF CC1(C)c2cc(OC[C@H]3C[C@@H](O)CN3)ccc2C(=O)c2c1oc1ccccc21 114801997 GABBBLWSJNIOGL-ZIAGYGMSSA-N 377.440 3.405 0 1 GGAF OC[C@@H]1[C@H](O)C[C@@H](NC2CCCCC2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356289785 ZEQAMAHESFGWEN-NPDDRXJXSA-N 399.510 3.105 0 1 GGAF CCc1c(CC2=CC=C[C@H]3C=CC=C[C@H]23)n(COCC=C(C)C)c(=O)[nH]c1=O 27644696 BKGNZAYCUCPFDD-XLIONFOSSA-N 380.488 3.436 0 1 GGAF COC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@@H]4CCC[C@@]15c1cc[nH]c1C[C@@]3(C)[C@@]245 2356292214 FCBMLMGOGOOCQL-CFCCUHABSA-N 383.488 3.187 0 1 GGAF O=C(Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O)c1ncccn1 28948872 DUGNCJWJJGAZFI-UHFFFAOYSA-N 392.802 3.179 0 1 GGAF CC1=C[C@H]([C@@H]2O[C@@H]3CCCn4c([C@@H]5C[C@H](C)C(=O)O5)ccc4[C@@H]3[C@H]2C)OC1=O 2356754662 JAIHEXISEDXFLY-PQTOSLOVSA-N 385.460 3.265 0 1 GGAF CC(C)(C)Cc1nc2cc(S(=O)(=O)C(C)(C)C(N)=O)ccc2n1CC1CC1 43170629 UODSBEAPZZOMEY-UHFFFAOYSA-N 391.537 3.073 0 1 GGAF COc1cccc(N2CCN(CCCCN3CCc4ccccc4C3=O)CC2)c1 40917798 CTWAEGZNMNTFST-UHFFFAOYSA-N 393.531 3.296 0 1 GGAF Cn1cc(Nc2ncc3cnn(C4C5CC6CC(C5)CC4C6)c3n2)cc1C(N)=O 84604994 CCMSKNPVKGYHGE-UHFFFAOYSA-N 391.479 3.005 0 1 GGAF CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@@H]1CC(=O)NCc1ccc(F)cc1 25427745 ILYPBVFQWRRVQR-QZTJIDSGSA-N 383.467 3.416 0 1 GGAF biogenic CCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)C(=O)c1ccncc1 95895097 OPNPVISNSSGKSU-VABKMULXSA-N 391.515 3.228 0 1 GGAF CCCC[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 253777062 DTVYAHOULQCSMS-VCUQXXBESA-N 387.476 3.090 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(C(N)=O)c2)N1 587749702 QBSOILMFYSMNPB-NIVTXAMTSA-N 393.256 3.190 0 1 GGAF Cc1c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075176 FBRXQMHIIOFGAK-UHFFFAOYSA-N 387.852 3.025 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(N3CCC(O)CC3)nc1Cl)O2 587413474 OLSGBQMFLSSZJA-CQSZACIVSA-N 393.896 3.355 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)C(O)O 587548694 QFBYJJFQXPOSKI-DYESRHJHSA-N 398.798 3.213 0 1 GGAF CN=c1[nH]c(Cl)ncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552258 PFQQXDRWPLRUAP-RHSMWYFYSA-N 383.791 3.002 0 1 GGAF COC(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144927 RNKBRONMOSCWII-CYBMUJFWSA-N 392.228 3.494 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccccc1F 587569903 SHEDOIOTAFOHLA-LAUBAEHRSA-N 380.327 3.473 0 1 GGAF COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587797954 UAJZUAGDTHNCFM-YYSFKGJASA-N 391.240 3.327 0 1 GGAF CN1CCN(c2ccc3nc(-c4ccc(NC(=O)C(C)(C)C)nc4)[nH]c3c2)CC1 587244402 DPRXMXYCELECEP-UHFFFAOYSA-N 392.507 3.361 0 1 GGAF CCn1cccc1[C@]1(C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963148860 PAQFVFMURMNQJS-ORAYPTAESA-N 391.493 3.474 0 1 GGAF Cc1nonc1CC(=O)N1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 11932732 KOIIBFZIUSAQCO-ZDUSSCGKSA-N 381.354 3.061 0 3 GGAF CC(C)C(C/C=C1\C[C@@](CO)(COC(=O)c2cccc(O)c2)OC1=O)C(C)C 13704116 NTNNXALVKZRFEK-CRAILRFSSA-N 390.476 3.472 0 1 GGAF COc1ccc2cc1-c1cc(c(O)c(OC)c1OC)CCCCC(=O)[C@H](O)C2 14611807 VHBRVHUPCPJJMZ-GOSISDBHSA-N 386.444 3.284 0 1 GGAF endogenous,in-man C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 16050219 GFXNSRGUUZHOAC-DFBGVHRSSA-N 399.447 3.227 0 3 GGAF CC1=N[C@@]2(C[C@H]([C@@H]3CCCOC3)Oc3ccc(Br)cc32)N=C1N 169708641 ONKRKKQEVGYQDK-JGFGOQIWSA-N 378.270 3.011 0 1 GGAF COc1ccc(CCN=c2nc3sc(-c4ccccc4)nc3c(N)[nH]2)cc1 1857751977 GLLKLVCCVKWHCU-UHFFFAOYSA-N 377.473 3.421 0 1 GGAF O=S(=O)(c1ccccc1Cl)c1cn([C@@H]2CCCNC2)c2ncccc12 28862293 TXYHQHSGNGSQQE-CYBMUJFWSA-N 375.881 3.447 0 1 GGAF O=C(NCc1cc(Cl)cc(Cl)c1)c1ccc2[nH]c(COCCO)nc2c1 61908607 ATISIMVHLNRYFX-UHFFFAOYSA-N 394.258 3.309 0 3 GGAF CC(C)(C)CCN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 2356530540 FFNZVMCAJGQVGJ-MHTWAQMVSA-N 383.536 3.070 0 1 GGAF CO[C@@H]1O[C@@]23CC(=O)[C@@H]4[C@@]1(CC[C@]1(C)C(=O)CC[C@]41C)[C@H]2CCC(=O)C3(C)C 2356535467 ALUMZZCQCVEYER-SPZJGWOZSA-N 388.504 3.478 0 1 GGAF CCCCCCc1cn(CCn2nc(-c3ccccc3)c3c(N)ncnc32)nn1 66077159 RCMSEZOZVJESCU-UHFFFAOYSA-N 390.495 3.490 0 1 GGAF CC1=C2C[C@@H]3[C@H](C[C@]2(C)CCC1)OC(=O)[C@@H]3CN1CCN(C2=CC=C[CH]N2)CC1 2356870071 XHDAYTBJGBFIAV-ORVPSHMPSA-N 396.555 3.225 0 1 GGAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)c(F)c2)CC1 216303849 APAYTJVEHOZGLP-UHFFFAOYSA-N 385.892 3.462 0 1 GGAF CC(C)[C@H](O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 36486817 RIHOLXRQBXNRMS-UZLBHIALSA-N 387.432 3.379 0 1 GGAF CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](N(C)C(C)=O)[C@@H]1OCc1ccccc1 14419084 YRQZLIAFOCVGFS-BXXSPATCSA-N 399.487 3.007 0 1 GGAF biogenic CCCCOC(=O)COC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82086402 CQKPPUPUAWNBHJ-UHFFFAOYSA-N 379.434 3.327 0 1 GGAF N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)c(F)c2)cc1F 40977124 SGHSTWWDIJHJQK-UHFFFAOYSA-N 376.407 3.161 0 1 GGAF Cc1cc(C)nc(NC(=S)N2CCN(c3ncnc4sccc34)CC2)c1 95571179 YZTMRTLBFAUZDD-UHFFFAOYSA-N 384.534 3.222 0 1 GGAF CCCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccc(F)cc1 95894629 CSSMSPNQBLKMRG-SBHAEUEKSA-N 397.450 3.333 0 1 GGAF COC(=O)c1cccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c12 587144611 OPSWAHLJDXCYGJ-CYBMUJFWSA-N 392.228 3.494 0 1 GGAF Cc1nn(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)c(C)c1Br 586979067 PTYMDLASKANCKR-UHFFFAOYSA-N 392.301 3.127 0 1 GGAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586915904 JFBRIWGPNSFCCI-AUUYWEPGSA-N 386.429 3.026 0 1 GGAF CC(=O)c1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C 587763723 LQEAVOFRVOFLCZ-XYZCENFISA-N 380.261 3.322 0 1 GGAF O=C1c2nccc3c2C[C@H]1N[C@@]31C(Br)=COc2cc(Cl)ccc21 963289935 RXFRXYJTYIXUER-PXAZEXFGSA-N 389.636 3.318 0 1 GGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CC(=O)CCC(=O)O)c1ccccc1 963609218 MWFICUFRCPCLMN-CMJOXMDJSA-N 397.471 3.306 0 1 GGAF CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)c2csc(SC)n2)C1 11667581 UAVIXQJECXYYNQ-OAHLLOKOSA-N 376.551 3.387 0 1 GGAF Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCc2cnccn2)cc1C 12314645 APMLRYUJICBMRE-HXUWFJFHSA-N 375.476 3.406 0 3 GGAF Cc1cc(-c2ccccc2)n(C(=O)c2ccccc2S(=O)(=O)NC(C)C)n1 1857601221 IHLULQPNWKSKNZ-UHFFFAOYSA-N 383.473 3.234 0 1 GGAF Cc1cccc(C)c1N1CCN(c2ccc3[nH]c(=O)c(C(C)C)nc3n2)CC1 766698 MAJZYZXDCFVTFF-UHFFFAOYSA-N 377.492 3.385 0 1 GGAF Cc1ccccc1CN1C(=O)CSc2ccc(C(=O)N3CCOCC3)cc21 3638419 NBQPUGQTTOFKFN-UHFFFAOYSA-N 382.485 3.106 0 3 GGAF CCOCCn1cnc2sc(C(=O)Nc3c(F)cccc3F)c(C)c2c1=O 4716319 XVHDOQQGFBGRLM-UHFFFAOYSA-N 393.415 3.333 0 1 GGAF O=C(O)/C=C/c1cccc(N2CCN(c3cccc(/C=C/C(=O)O)c3)C2=O)c1 103246181 QWFKJJKCGBUBFS-FIFLTTCUSA-N 378.384 3.329 0 1 GGAF COc1ccc2c3c(c(=O)oc2c1)CN(CCN1C[C@H]2CCC[C@@H](C2)C1)CC3 100051431 QWPVBALEGOKDEY-IRXDYDNUSA-N 382.504 3.282 0 1 GGAF COCCn1ccc2c(OCC(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)cccc21 2356500764 BJDZGNCXPZMCSH-ICSRJNTNSA-N 399.535 3.047 0 1 GGAF Cc1ccc(CN2CCN([C@H]3CCc4cccc5c4N(C3=O)[C@@H](C)C5)CC2)cc1 22927128 DKBPJHJAUABOCD-CVDCTZTESA-N 389.543 3.405 0 1 GGAF CC(=O)OC[C@](O)([C@H](O)CO)[C@@H]1C[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]2(C)C1 2356602891 OVDONPAXHCFZKS-PQELXKSKSA-N 396.568 3.293 0 1 GGAF CCOC(=O)Cc1cc(O)cc(O)c1C(=O)CCCCC[C@H](C)OC(C)=O 2356794696 IBFOIJMFLLVZRV-ZDUSSCGKSA-N 380.437 3.288 0 1 GGAF O=C(c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26010306 MLJYWBHXQXYUKO-KRWDZBQOSA-N 380.206 3.495 0 1 GGAF C[C@@]12C[C@@H](CC3=C1[C@H](OC(=O)c1ccccc1)[C@H](c1ccoc1)OC3=O)OC2=O 13406011 VMPUNXPSXDRNOX-HPXJRWHBSA-N 394.379 3.125 0 1 GGAF biogenic Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCCC1)CC3 82196049 GJIGSBQAFXSCPI-UHFFFAOYSA-N 376.460 3.004 0 1 GGAF Cn1cc(N2C(=O)c3[nH]ncc3[C@H]2c2ccc(Cl)cc2)cc(Cl)c1=O 220340135 WMLLDTCULACFBH-OAHLLOKOSA-N 375.215 3.165 0 1 GGAF COC(=O)c1cncc2c1C[C@H]1c3[nH]c4ccccc4c3CCN1C(O)=C2O 238736564 UHNFGQITXPBMRM-KRWDZBQOSA-N 377.400 3.247 0 1 GGAF O=C(COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCCC1 144818095 YTKNPSFZMWVVQG-IBGZPJMESA-N 377.362 3.466 0 1 GGAF COc1ccc([C@H]2C=C(c3nnn(Cc4ccccc4)c3C)NC(=S)N2)cc1 95575333 PRCSDEHUJMNLDY-GOSISDBHSA-N 391.500 3.203 0 1 GGAF O=c1occ(-c2ccccc2)n1CCCN1CCN(c2ccc(F)cc2)CC1 473118661 KYTBVPZSMMXBII-UHFFFAOYSA-N 381.451 3.460 0 1 GGAF O=S(=O)(c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1)C(F)(F)F 586895464 IKICLDUFNIRUSE-UHFFFAOYSA-N 388.411 3.441 0 1 GGAF N[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C1CC1 587255937 VTKDBCIOMYOWQN-MRXNPFEDSA-N 376.869 3.427 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc(F)cc1 587569276 HIPWAKGLVPXQDZ-LAUBAEHRSA-N 380.327 3.473 0 1 GGAF CCOc1ccc(OCC)n1-c1ccc(C(=O)OC)cc1O[C@H]1CCOC1 587925754 UDINRKCTAKTWJF-HNNXBMFYSA-N 375.421 3.229 0 1 GGAF C[C@]1(Cc2ncccc2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586651 JGYNDIFIHBXTBQ-PGRDOPGGSA-N 391.379 3.448 0 1 GGAF CCOc1n[nH]c(-c2nc3ccc(Br)nc3[nH]2)c1Br 586979001 FBLZKDWOGBUOSM-UHFFFAOYSA-N 387.035 3.272 0 1 GGAF CC[C@@H](c1nc2ccc(OC)nc2[nH]1)n1cc(I)c(C)n1 587184670 LPOPIVWZGWXORG-NSHDSACASA-N 397.220 3.075 0 1 GGAF O=C1c2ccc(O)cc2OC2(CN(C(=O)C(F)(F)F)C2)[C@@H]1c1ccc(F)cc1 587329727 LYHHAJVCLVAQPV-OAHLLOKOSA-N 395.308 3.034 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(CN1CCCC1)CC2=O 587473719 BOBPBLNGSZOIFP-OAQYLSRUSA-N 375.465 3.098 0 1 GGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(F)c(F)cc2[nH]1 587120899 IXUBSELXKIGWLY-UHFFFAOYSA-N 397.307 3.265 0 1 GGAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2coc3ccccc3c2=O)N1 962977388 PGEGQLDSGQMXKH-DYVFJYSZSA-N 391.757 3.413 0 1 GGAF C[C@@]1(c2cc3ccccc3oc2=O)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963216743 AGPHNDIJDCRONN-XXBNENTESA-N 386.407 3.204 0 1 GGAF COc1cc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(OC)cc1SC 962898822 GASFAKIWZXLUJK-UGSOOPFHSA-N 377.437 3.253 0 1 GGAF COc1cccc2cc3c(nc12)[C@](c1cccnc1)(C1CCN(C)CC1)NCC3 963044875 FBAQXAAWXWRVJO-XMMPIXPASA-N 388.515 3.370 0 1 GGAF c1ccc(C2(c3ccccc3)COC[C@@H](CNCCOc3ccccn3)O2)cc1 1772653936 KEMLNXFOLRBJAU-JOCHJYFZSA-N 390.483 3.409 0 1 GGAF NS(=O)(=O)c1ccc(O[P@](=O)(Oc2ccccc2)c2ccccc2)cc1 1857547346 NHZKQUURXQFXIN-RUZDIDTESA-N 389.369 3.310 0 1 GGAF Cc1ccc(NC(=O)CN2C(=O)NC3(C2=O)c2ccccc2-c2ccccc23)cc1 1857558815 MIFFQWYTBNCBFQ-UHFFFAOYSA-N 397.434 3.410 0 1 GGAF c1cc(-c2ccc3ncnc(Nc4nccnn4)c3c2)cc(N2CCOCC2)c1 1857750353 FKTDIRUIKWMWKR-UHFFFAOYSA-N 385.431 3.062 0 1 GGAF Cc1ccc(C)c(NC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)c1 6738738 YPZSJJOBJDTBKI-UHFFFAOYSA-N 381.457 3.244 0 1 GGAF C[C@@H](N)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 29234131 MRZURNFZUKIJQG-SSDOTTSWSA-N 382.367 3.275 0 1 GGAF COc1cc(/C=C2\CCCn3c2nc2c(OC)cccc2c3=O)cc(OC)c1O 28568277 PPRAVGTVEZLBIC-GXDHUFHOSA-N 394.427 3.462 0 1 GGAF CCO[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@]3(C(=O)OC)CCC=C1[C@H]23 2356451255 YIBYVYRFGKDEDX-UNWVZKJWSA-N 380.488 3.334 0 1 GGAF Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C3CC3)CC(=O)N12 16032572 KNDMVJRPJMMTRO-OFNKIYASSA-N 385.467 3.324 0 1 GGAF biogenic N[C@H]1C[C@@H](N2Cc3nn4cccnc4c3C2)CC[C@@H]1c1cc(F)c(F)cc1F 146679342 IFNNFCXXDBDDHG-IUUKEHGRSA-N 387.409 3.126 0 1 GGAF COc1cc2occ(-c3ccc(OC(C)=O)cc3)c(=O)c2c(OC(C)=O)c1OC 238772605 HMSBILHIZHSYAC-UHFFFAOYSA-N 398.367 3.328 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1c(O)ccc(O)c1Br)[C@@H](C2)C3=O 587413811 QQIBPRGRDFNSCH-XYZCENFISA-N 377.190 3.358 0 1 GGAF COc1ccccc1[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587805752 HPJDCLKRMFAPPQ-MGNBDDOMSA-N 394.240 3.459 0 1 GGAF COC(=O)c1cc(Br)c2[nH]c(-c3cccc(NC(N)=O)c3)nc2c1 587242156 NZEYGNINAXVPQN-UHFFFAOYSA-N 389.209 3.270 0 1 GGAF O[C@@H]1C[C@H](c2nc3cc(I)cnc3[nH]2)c2ccccc21 586905094 YMHRCLUQWQKQSP-WCQYABFASA-N 377.185 3.132 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C(=O)O)=NN(C)c2ccccc21 587489302 TZACZLIJOLGXLD-OAQYLSRUSA-N 380.400 3.096 0 1 GGAF COC(=O)[C@@H]1CSCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587618663 PMDJZDZEPHQYLR-ZSOFBXJNSA-N 386.425 3.019 0 1 GGAF CCOC(=O)CNc1ccc(-c2nc3c(OC)c(C(=O)OC)ccc3[nH]2)cc1 587226295 YEMPDPVDEMIYJE-UHFFFAOYSA-N 383.404 3.000 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(N)=O)c3ccccc13)CC2=O 587479486 ZPVREYHVBSYKKV-HXUWFJFHSA-N 378.428 3.491 0 1 GGAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnnc(O)c3[nH]2)C[C@@H]2CCCC[C@@H]21 587026058 KCHBAXQAVMTXIS-QEJZJMRPSA-N 383.477 3.195 0 1 GGAF CCn1nc(C)c([C@@]2(C(F)(F)F)NCCc3ccc(C(=O)N(C)C)cc32)c1C 962930731 MIVKLXDTDQIPLF-IBGZPJMESA-N 394.441 3.173 0 1 GGAF Nc1ccccc1[C@]1(c2ccncc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963237276 XGZDASSJKKEOKR-VWNXMTODSA-N 396.450 3.103 0 1 GGAF O=C1COc2c(cccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)N1 13674847 MKNKEMCPBIDCMA-UHFFFAOYSA-N 390.487 3.254 0 1 GGAF CCCN/C=C1\N[C@H]2CN=C(c3ccccc3)c3cc(Cl)ccc3N2C1=O 169319025 HMUZGUISRAIGGK-LYPXWFNGSA-N 380.879 3.294 0 1 GGAF COc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3OC)C(C)=Nc3ncnn32)cc1 169688124 ZTLHXVCKKPQTCM-OALUTQOASA-N 391.431 3.246 0 1 GGAF CC(C)c1ccc(S(=O)(=O)N2C(=O)NC(=O)[C@]23CCCc2ccccc23)cc1 1857552068 XSTOJSNXCJOZLO-OAQYLSRUSA-N 398.484 3.282 0 1 GGAF CC(C)C[C@@H](CO)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CCC1=O 8680114 KVEPMAURIRKNNG-AWEZNQCLSA-N 387.307 3.075 0 3 GGAF CSc1nn(-c2ccccc2)c2nc3n(-c4cccc(F)c4)cnn3c(=O)c12 103212593 VIQLYNJNYBCTHN-UHFFFAOYSA-N 392.419 3.080 0 1 GGAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(CN1CCOCC1)C(F)(F)F 28604519 LMCRUPDOMZRUSW-QGZVFWFLSA-N 379.394 3.128 0 1 GGAF CCCCc1ccc(C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)CO3)cc1 28004583 RNHPWPGLRFHKPP-QGZVFWFLSA-N 379.420 3.307 0 1 GGAF CCOC(=O)N1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 27858712 MIJPPTLQSWKNDA-HZPDHXFCSA-N 381.384 3.497 0 1 GGAF COc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]32)n1 116827784 VBUGEBALXLUROO-RHSMWYFYSA-N 392.484 3.175 0 1 GGAF CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4c3OCC4)n2)c1 64513393 QAUBUHQKFKUNIZ-UHFFFAOYSA-N 382.445 3.302 0 1 GGAF Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCN(Cc2cccc3[nH]ccc23)C1 28959586 DKNIFVZWIFYROA-QGZVFWFLSA-N 387.480 3.168 0 1 GGAF CCC[C@@H]1C(O)=C2CC[C@@]3(C)C[C@H](C)[C@@H](O)[C@@H](C[C@H](C)C(=O)C[C@H]1OC2=O)O3 2356846919 ORWMGACNUWRRGW-HBQNBAHPSA-N 394.508 3.464 0 1 GGAF Cc1ccc2c(NC(=O)C(=O)N=c3cc[nH]cc3)c(C(=O)c3ccccc3)[nH]c2c1 1911570443 HZAOTBXMDYDQSF-UHFFFAOYSA-N 398.422 3.101 0 1 GGAF CO[C@H]1O[C@H]([C@H]2c3cc4c(cc3CCN2C)OCO4)c2ccc3c(c21)OCO3 1911572589 UYKOVOXFSYCDFP-DYXWJJEUSA-N 383.400 3.090 0 1 GGAF 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3.489 0 1 GGAF CO[C@@H]1C[C@](C)(NC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](C)O1 14420682 WMLHIOCEEAQRMP-KRDZULTMSA-N 383.444 3.182 0 1 GGAF biogenic S=c1[nH]c2cccc(OCCN3CCN(c4cccc5[nH]cnc45)CC3)c2[nH]1 40848073 KRORRIMKICEGJG-UHFFFAOYSA-N 394.504 3.303 0 1 GGAF CCc1nn(-c2ccccc2)c2cc(OC3CN(C4CCNCC4)C3)ccc12 147348290 RZITYDQZFCFNNF-UHFFFAOYSA-N 376.504 3.403 0 1 GGAF CCC(=O)N1c2c(ccc(OC)c2O)[C@]23CCN4CCC[C@]5(CCO[C@]425)CC[C@H]13 238780419 BQUQIANAVWLUAX-DWJNZPNVSA-N 398.503 3.160 0 1 GGAF CCCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccc(F)cc1 95894630 CSSMSPNQBLKMRG-QKNQBKEWSA-N 397.450 3.333 0 1 GGAF Cc1ccoc1C(=O)Nc1cnc(N2C(=O)c3cccc(Cl)c3C2=O)nc1 473165973 CUJXXKFLURFGGI-UHFFFAOYSA-N 382.763 3.084 0 1 GGAF CCCCSC(=S)N1CCN(C(=S)NC(=O)c2ccccc2)CC1 299866865 PPKQGMJGRXGGHT-UHFFFAOYSA-N 381.592 3.137 0 1 GGAF COC(=O)c1ncccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587775313 ZDCYGFHUAHOWLK-BJOHPYRUSA-N 379.229 3.393 0 1 GGAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 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CC1(C)CCC(NC(=O)[C@@H](CCC(=O)O)NC(=O)c2cccc(Cl)c2)CC1 13447250 DZPZELCMOBVEOB-MRXNPFEDSA-N 394.899 3.388 0 1 GGAF Cc1ccnc(N2CCN(C(=O)Cc3c(C)n4c5c(cccc35)CCC4)CC2)c1 13740406 NUVZFZSKRFMBPC-UHFFFAOYSA-N 388.515 3.491 0 1 GGAF COc1ccc(CCO[C@@H]2CCCC[C@@H]2N2CCC3(C2)OCCO3)cc1OC 208433491 FZBQGKNQUGVJNS-RBUKOAKNSA-N 391.508 3.023 0 1 GGAF C[C@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)NC(=N)O[C@H](CF)[C@@H]1F 1857755731 BFEQDIQTMANSEQ-RVKKMQEKSA-N 396.344 3.058 0 1 GGAF CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)NC(=O)CS2 6892727 AFGGUOMBDMSMLC-CQSZACIVSA-N 376.503 3.030 0 3 GGAF C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102269035 RNUJSDSRCZPJRV-DLOVCJGASA-N 398.793 3.220 0 3 GGAF CCCNC(=S)N1CCC(C[C@H]2Cc3cc(OC)c(OC)cc3C2=O)CC1 103277408 NVEPZSKEPWZPRT-INIZCTEOSA-N 390.549 3.445 0 1 GGAF COc1ccc(CCNC(=O)/C=C/C=C/c2ccc3c(c2)OCO3)cc1OC 27110093 PZMGRWSIHZQBAM-GGWOSOGESA-N 381.428 3.361 0 1 GGAF CC(=O)NCc1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 114035980 CDKZHWZCXRRPDX-OAQYLSRUSA-N 377.492 3.276 0 1 GGAF COc1ccc(-c2noc(NCCc3nc4ccccc4n3C)n2)cc1OC 21630592 QNXWIPWXAUISBC-UHFFFAOYSA-N 379.420 3.295 0 1 GGAF CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCN(C2CCCCC2)CC1 20465335 BRUPRKAEPYIXKE-UHFFFAOYSA-N 387.549 3.418 0 1 GGAF CS(=O)(=O)c1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 114334967 OLGYHXPKEZCVEP-SFHVURJKSA-N 384.505 3.043 0 1 GGAF CC(=CCC[C@H]1C[C@@H](c2cc(O)ccc2O)OC1=O)CCC=C(CO)CO 2356865243 WKBBTEUDELYQMD-JXFKEZNVSA-N 376.449 3.120 0 1 GGAF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2[C@H](C)C[C@H]1N2C 73388459 PXEXIRDRUZCRAL-YBUXEROVSA-N 399.272 3.277 0 1 GGAF O=C(NCC1CCCCC1)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1 82139325 QNNPVDCFVRWILR-UHFFFAOYSA-N 398.482 3.429 0 1 GGAF O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 142521775 XGIPCEFOHMGTTG-UHFFFAOYSA-N 397.406 3.364 0 1 GGAF CC(C)C(=O)O[C@H]1[C@@H]2C=C[C@H]3C[C@@H]4C[C@H]5CC(=O)[C@]4(C[C@H]3[C@@H]2C[C@H]1C)C(=O)O5 238763540 WSWQMVNLCCKQMH-NFECPIQCSA-N 386.488 3.313 0 1 GGAF CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@H]2[C@@H]2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@H]1[C@H]23 255214336 GYOGHROCTSEKDY-AWEXIYJDSA-N 375.509 3.015 0 1 GGAF NC(=O)c1cccc(C[C@H](N)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587259620 GAYJMPAHWDEEGT-SFHVURJKSA-N 384.439 3.135 0 1 GGAF COc1cc(Br)cc(C=O)c1OCc1nc2cncc(C)c2[nH]1 586980273 MRDJTRQDIFNNQV-UHFFFAOYSA-N 376.210 3.429 0 1 GGAF CC[C@]1([C@H](N=O)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335181 JJEDRXVEQDQFIC-HQRMLTQVSA-N 387.363 3.347 0 1 GGAF Clc1cnc2[nH]c(-c3nccnc3I)nc2c1Cl 587185843 ANYGVYJOJAMVCR-UHFFFAOYSA-N 391.987 3.326 0 1 GGAF N[C@@H](N=O)c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587161468 OJJDFKBAKOFHFO-INIZCTEOSA-N 385.790 3.386 0 1 GGAF COC(=O)c1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 587131861 DZHKAQOLFWLMMJ-NSHDSACASA-N 381.379 3.319 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc3c(c1)OCO3)CC2=O 587492451 QMCDLRGSJUBHSF-QFIPXVFZSA-N 398.411 3.497 0 1 GGAF CS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587607386 METRAAAFKDFCKM-GHTZIAJQSA-N 396.420 3.499 0 1 GGAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CC(=O)c1cnn(C)c1C)C(F)F 963612592 SRYLUFHVJYVIOU-YBTHPKLGSA-N 393.434 3.013 0 1 GGAF CC(=O)N(C)[C@H](C)[C@]1(c2ccc3c(c2)OCO3)NCCc2cc(Cl)ccc21 963392433 ZYRVLPHHXGEJSV-LRTDBIEQSA-N 386.879 3.325 0 1 GGAF Cc1c(F)ccc2c1[C@@]1(NCC2)C(=O)Nc2cc(F)c(Br)cc21 962143830 JJQWKLQNZYKLBX-QGZVFWFLSA-N 379.204 3.377 0 1 GGAF Cc1ccoc1C(=O)N1CCCn2nc(C(=O)N(C)c3ccccc3)cc2C1 1772637272 KLLGAKSYSYXRLL-UHFFFAOYSA-N 378.432 3.107 0 1 GGAF COCCC(=O)N1CCC(Oc2ccc(C(=O)NC3CCCCC3)cc2)CC1 12725624 BBOYRSKWSQPUIB-UHFFFAOYSA-N 388.508 3.155 0 3 GGAF CC(C)(C)OC(=O)N1CCC(C[C@H]2CC(c3ccncc3)=NO2)(C(=O)O)CC1 12726572 CQBVYFRFJBFQFT-OAHLLOKOSA-N 389.452 3.067 0 3 GGAF Cc1ccc2c(c1)=C(c1ccc(OCC(C)C)cc1)NN=C(c1cccnc1)N=2 13151234 HBWBIUFRTOBUQE-UHFFFAOYSA-N 384.483 3.166 0 3 GGAF O=C1c2ccc(-c3nnn[nH]3)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CCC1)CC3 13532310 QULFSXXDFAAEIP-LQBOVUBWSA-N 377.492 3.365 0 1 GGAF Cc1ccc2c(c1)C(O)=C(C(=O)Nc1ccc(Cl)cc1)N(C)S2(=O)=O 13605419 PNBZUOIKZAEMAR-UHFFFAOYSA-N 378.837 3.148 0 1 GGAF CN1CCC(CNC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 168071026 YIQWJZFWDNIMSW-UHFFFAOYSA-N 392.503 3.306 0 1 GGAF CN1O[C@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N=C1c1cccc(Cl)c1 205206675 GMMGHMKJIJAGFJ-LJQANCHMSA-N 387.823 3.437 0 3 GGAF CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 763077 CDORGXDCRLFQKY-GOSISDBHSA-N 397.475 3.238 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@H]1c3cc(OC)c(OC)cc3CC(=O)[C@H]1CC2 2356329073 RRWBGJAHMCDNMY-JLCFBVMHSA-N 396.439 3.375 0 1 GGAF CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1cc(OC)c(OC)cc14)[C@H]32 2356343286 KYSSJRZIVJUXLG-XPWALMASSA-N 396.487 3.238 0 1 GGAF C[C@@H](OC[C@H](O)CNC[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1 3435321 PDLJMIAOCAFJQW-ZTFGCOKTSA-N 377.868 3.208 0 1 GGAF Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)c2C)no1 3464876 MYPUQEMJBLHGQB-XUSGNXJCSA-N 398.463 3.074 0 3 GGAF O=C(CCS(=O)(=O)c1ccc(Br)s1)NCc1cccs1 4076425 DVYVGZRNUVRENG-UHFFFAOYSA-N 394.337 3.052 0 3 GGAF CNC(=O)Nc1ccc(-c2nc(N3C[C@@H]4CC[C@@H](C3)O4)c3sccc3n2)cc1 101306741 ITYGQBOCBCGBAV-GJZGRUSLSA-N 395.488 3.477 0 1 GGAF O=c1c2cccnc2n(-c2ccccc2)c(=O)n1-c1nc2ccc(F)cc2s1 103238105 HMWFSUCQAPSPOV-UHFFFAOYSA-N 390.399 3.285 0 1 GGAF CC(C)C[C@H]1CN(C(=O)c2cc(-c3ccccc3)[nH]n2)[C@@H](CC(C)C)C(=O)N1 103264365 RMJKZBJFQJFRBR-PXNSSMCTSA-N 382.508 3.478 0 1 GGAF C[C@](O)(c1ccc(Cl)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 26006897 JMZJOQIVTXIKOJ-ROUUACIJSA-N 378.259 3.380 0 1 GGAF O=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)[C@H](c2ccccc2)N1 27899427 WIIUOCVJCVDAMU-QHCPKHFHSA-N 389.499 3.433 0 1 GGAF N=C(N)c1ccc2[nH]c(-c3cccc(-c4nc5cc(C(=N)N)ccc5[nH]4)c3)nc2c1 29416525 FZJGRZBRFWDGQC-UHFFFAOYSA-N 394.442 3.341 0 1 GGAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Oc2ccccc2)C1 72315711 KKFKLLKJGDFZBA-CQSZACIVSA-N 379.464 3.059 0 1 GGAF in-vitro N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCc1c[nH]c2ccc(O)cc12 1911575657 ICBUWDJQFAEUCB-QGZVFWFLSA-N 392.286 3.409 0 1 GGAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)[C@H]3C)n1 218937065 DMCGPNZWXATPEH-QMMMGPOBSA-N 392.847 3.115 0 1 GGAF CCCO[C@H]1C[C@@H](CC)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40408095 NUAGUSVYUAKFOF-ZBFHGGJFSA-N 380.876 3.481 0 1 GGAF N[C@H](CNCc1ccc(Cl)c(Cl)c1)CNc1cc(=O)c2ccccc2[nH]1 40845128 FMHQYNBRWGGXIM-CYBMUJFWSA-N 391.302 3.364 0 1 GGAF CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 82196337 WZGQZFROVDQDTK-UHFFFAOYSA-N 396.413 3.239 0 1 GGAF C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(OC)C[C@@]12O 141521254 XNOMSXWCVIAZGH-VSNSMCLMSA-N 378.465 3.042 0 1 GGAF COc1ccc(C[C@@H]2COC[C@H]2[C@H](O)c2ccc(OC)c(OC)c2)cc1OC 37538929 BLUMMWXERGVZBN-DRSNIGMVSA-N 388.460 3.260 0 1 GGAF biogenic CSc1cccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN2CCCC2)c1 43526983 WGGBCPHGDIIOKW-ZIFCJYIRSA-N 388.581 3.336 0 1 GGAF biogenic O=C(c1nc2cc(C(F)(F)F)ccc2s1)N1CCN(c2cnccn2)CC1 653851912 CHDSFEWRLSOGDM-UHFFFAOYSA-N 393.394 3.068 0 1 GGAF CCOC(=O)/C(=C\N(C)C)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587387086 MWUIVYUIMGCQFE-NLMIPJBGSA-N 394.471 3.447 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccc(Cl)cc4)nn1)[C@@H](C2)C3=O 587422071 PBSNOVXCYQGHJR-YWZLYKJASA-N 381.819 3.477 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(C)c1OCC(F)(F)F)[C@@H](C2)C3=O 587421653 QKOMQJAQXQOBPO-ZBEGNZNMSA-N 382.338 3.167 0 1 GGAF CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)OC)c(=O)c3ccccc23)c(O)c1 587667618 QTGLPVWRJTWZBH-CQSZACIVSA-N 395.459 3.290 0 1 GGAF COc1cc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)nn1-c1ccccc1F 587156691 QOFPKJUWOSWLCD-UHFFFAOYSA-N 379.395 3.265 0 1 GGAF CCOC(=O)/C(=C/N(C)C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587756511 QXZKPKXTNADFJU-CHSAYFSGSA-N 399.304 3.346 0 1 GGAF CN(C)C(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 587586837 DTNHROCQHWSCJF-PXNSSMCTSA-N 378.384 3.125 0 1 GGAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 586959093 OOXUZIRKQSXNSJ-HNNXBMFYSA-N 385.367 3.051 0 1 GGAF CCOC(=O)C[C@@]1(C2CCOCC2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962557569 AFGCFUSFGWTDHN-OYHNWAKOSA-N 391.508 3.155 0 1 GGAF COC(=O)c1ccccc1[C@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730221 MJYZLOUSGYCVRZ-VQIMIIECSA-N 377.362 3.382 0 1 GGAF COc1n[nH]c2cc(NC(=O)N[C@@H](C)c3ccc(F)c(F)c3)nc([C@H](C)O)c12 1772614850 VQUVLPSJWWUXHV-IUCAKERBSA-N 391.378 3.181 0 1 GGAF COc1cc(CNc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc(OC)c1 202608499 UYIUMIQRAAFGIL-UHFFFAOYSA-N 391.475 3.372 0 1 GGAF CC(C)C[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C)c1ccccc1 208986009 VXCUNEZHDQNNQC-JXYHXMIBSA-N 394.519 3.098 0 1 GGAF COc1cc2c(cc1OC)CN(CCCOc1ccc(C(C)=O)c(O)c1)CC2 1857540598 UGTOHDDXGFCAEE-UHFFFAOYSA-N 385.460 3.439 0 1 GGAF CCc1nn([C@@H](C)C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc3occc3n12 6807388 XZKHLBWFVMLROA-LBPRGKRZSA-N 398.850 3.335 0 3 GGAF Nc1nc(-c2ccc(OC[C@@H]3CCOC3)c(C(F)(F)F)c2)c(Cl)c(=O)[nH]1 103254688 CMUSWEIFTDZTPG-MRVPVSSYSA-N 389.761 3.107 0 1 GGAF O=S(=O)(N[C@H]1[C@H]2CC[C@]1(CO)Cc1ccccc1C2)c1ccc(Cl)s1 29129035 GYBDFFZMKZVVPY-DOPJRALCSA-N 397.949 3.236 0 1 GGAF O=P(O)(O)C(F)(F)c1ccc2c(C(F)(F)P(=O)(O)O)cccc2c1 27104669 WEYKRGPJSOFQDA-UHFFFAOYSA-N 388.146 3.294 0 1 GGAF NS(=O)(=O)c1ccc(N2N=C(c3cccc(O)c3)C[C@H]2c2ccccc2)cc1 103181846 WUQHZAXCSDSGKY-NRFANRHFSA-N 393.468 3.395 0 1 GGAF CC1(C)CN(c2cccc[n+]2[O-])c2cc(S(=O)(=O)c3ccccc3)ccc2O1 26653481 IDQLPSUOUYUBIK-UHFFFAOYSA-N 396.468 3.462 0 1 GGAF NC(=O)O[C@H](CCCN1CCN(c2ncccc2Cl)CC1)c1ccccc1 118073509 PHLAWDNJEMYMBU-GOSISDBHSA-N 388.899 3.474 0 1 GGAF COc1cc2c(c(C(=O)NC[C@@H]3CCCN3CCc3ccccc3)c1)OCC2 27557014 UTHCVWLWDKDKNF-IBGZPJMESA-N 380.488 3.067 0 1 GGAF CCCCC[C@](C)(O)C=C[C@H]1[C@H](CC=C=CCCC(=O)OC)[C@@H](O)C[C@H]1O 2356756720 GNIYHUSSKSFYBD-BGQFGWQRSA-N 380.525 3.286 0 1 GGAF CCc1oc(=O)c(Cc2c(OC)cc(O)c(C(=O)C(C)C)c2O)c(O)c1C 14614531 JKNDUUCLPMQTMT-UHFFFAOYSA-N 376.405 3.066 0 1 GGAF biogenic CO[C@H]1CN[C@H](CNc2cc(NCc3ccccc3)n3ncc(C(C)C)c3n2)C1 1911571585 XJHDRCOXVVOGNQ-ZWKOTPCHSA-N 394.523 3.254 0 1 GGAF OC[C@@H]1[C@H](c2ccccc2)C2(CN(Cc3ccccc3)C2)N1Cc1ccncc1 95797689 GYURWMFHROKQHH-RPWUZVMVSA-N 385.511 3.297 0 1 GGAF COc1ccc(OCCNCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 96928014 XFAPHXWYPLVNBL-UHFFFAOYSA-N 390.439 3.113 0 1 GGAF C/C=C/S(=O)(=O)N(C)CCN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 621485884 RPQCUXKEHFZRSV-YIXHJXPBSA-N 396.896 3.467 0 1 GGAF Nc1nc2ccccn2c1C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1 299869338 ULGZVFADLIRAGZ-IBGZPJMESA-N 398.466 3.069 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)CC1(F)F)[C@@H](C2)C3=O 587422102 CBGQNJCYAYAESD-ORAYPTAESA-N 395.402 3.458 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1c(Cl)[nH]c(=N)n1-c1ccccc1)[C@@H](C2)C3=O 587422362 PGNWPESJYIDLGW-UGSOOPFHSA-N 381.819 3.436 0 1 GGAF CCOC(=O)CNc1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1 587225751 SLWWOFOFAUXVAS-UHFFFAOYSA-N 394.475 3.037 0 1 GGAF Cc1nc(O)nc(S)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610812 DXZZOLWTZFRDSC-QRWLVFNGSA-N 396.424 3.362 0 1 GGAF O=C(O)c1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587275554 CXCJDPDHYYQJPO-UHFFFAOYSA-N 376.162 3.012 0 1 GGAF COc1ccc([C@@]2(CCn3cncn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587430392 DZKSIJNNBRVGCR-XMSQKQJNSA-N 391.427 3.029 0 1 GGAF Nc1c(Cl)ncnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655821 RMHZZIQVRIQEIY-UHFFFAOYSA-N 385.761 3.357 0 1 GGAF COC(OC)[C@@]1(/C=C/N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587738700 CBSZWHZJISQALJ-SNVVVFEHSA-N 387.293 3.012 0 1 GGAF CC(=O)N[C@H](Cc1nc2c(Cl)ncnc2[nH]1)c1ccc(Br)cc1 586986094 VTIWFVHXINKRGT-LLVKDONJSA-N 394.660 3.189 0 1 GGAF O=S(=O)(O)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587077306 VJUWIROOHKGSRV-HNNXBMFYSA-N 377.809 3.080 0 1 GGAF CCOC(=O)CC[C@]1(CC(=O)OCC)c2c(F)cccc2C[C@H]2CCCN21 963099516 HYGLMBMCDBKWBZ-IERDGZPVSA-N 377.456 3.338 0 1 GGAF COCCOC[C@@]1(C(C)(C)C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962971899 SWRDAKHDXYOGLH-SCLBCKFNSA-N 391.842 3.122 0 1 GGAF CN(C)CC[C@@]1(c2c[nH]c3ccccc23)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963022640 HGKVROYAGZATOT-UPCLLVRISA-N 388.515 3.417 0 1 GGAF CN1CCC(c2c[nH]c3ccc(OS(=O)(=O)c4ccc(F)cc4)nc23)CC1 13523631 FKLMZYPETBQBHD-UHFFFAOYSA-N 389.452 3.279 0 1 GGAF COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C[C@H]3C(=O)OC[C@H]32)cc1OC 16892193 KRWVSKZISHTLQK-WHSLLNHNSA-N 384.428 3.198 0 3 GGAF O=C(NCCc1c[nH]c2ccccc12)OCc1cn(Cc2ccccc2F)nn1 203462922 NQZPLMUEVUOLEI-UHFFFAOYSA-N 393.422 3.416 0 3 GGAF COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 100724929 YZCKPGFZFNXGTL-VAMGGRTRSA-N 385.552 3.150 0 1 GGAF CC1(C)CC(=O)c2ccn(-c3cc(F)c(C(N)=O)c(N[C@H]4CCOC4)c3)c2C1 103236862 GENUPDQCNCBCTQ-LBPRGKRZSA-N 385.439 3.071 0 1 GGAF COc1ccc(N2C(=O)[C@H]3Cc4c([nH]c5ccccc45)CN3C2=O)c(OC)c1 2090987 IQNGMFNMLLEHJN-GOSISDBHSA-N 377.400 3.079 0 1 GGAF biogenic Clc1ccc2c(c1)CNCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 72124265 KNFCVXFTWCRXHI-UHFFFAOYSA-N 380.883 3.303 0 1 GGAF Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCC3CCCCC3)cc2)no1 36643491 YYZNCWQSLDTMRC-UHFFFAOYSA-N 377.466 3.094 0 1 GGAF CCOC(=O)C1=C(OCC)C(=O)O[C@H]1C1=C(Cl)c2cc(C)c(C)cc2OC1 1911581463 ZQHGAOLPSXADNB-KRWDZBQOSA-N 392.835 3.425 0 1 GGAF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)NCCc1ccccc1 73166018 NUCOWQPFXTVMOO-FQEVSTJZSA-N 377.444 3.020 0 1 GGAF O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 35594034 KYXRBPDALPQMJO-QGZVFWFLSA-N 396.472 3.401 0 1 GGAF CC(C)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](C)CN2 82212228 MTNRAGJVYVTXHL-NSHDSACASA-N 397.306 3.420 0 1 GGAF COc1ccc(CCCN(C)c2cc3nc(-c4ccco4)nn3c(N)n2)cc1 40891734 WVJKOONXHGNBES-UHFFFAOYSA-N 378.436 3.044 0 1 GGAF CCCCCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195371807 ZIKBTZZAYKAEPP-BSJHOTPDSA-N 397.515 3.309 0 1 GGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCCCOCCCC 82199169 NOFPOIUJBNGZEC-VQFHEYMESA-N 382.545 3.062 0 1 GGAF COc1cc2nc(N3CCc4ccccc4C3)nc(NC[C@H](C)O)c2cc1OC 82129046 YXONPWIWPVXSRU-AWEZNQCLSA-N 394.475 3.002 0 1 GGAF Cc1ccc(CCNc2ncc(C(=O)N3CCOCC3)c(-c3ccco3)n2)cc1 82142242 XFSMLYPICPNNFG-UHFFFAOYSA-N 392.459 3.172 0 1 GGAF O=C(c1ccncc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccs2)c1=O 25232547 PLCPCFLFHJJSAA-ZBFHGGJFSA-N 377.469 3.231 0 1 GGAF biogenic N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cccnc3)c2=O)c1 25429198 UIJGKVJKZOIJNU-CTNGQTDRSA-N 382.467 3.401 0 1 GGAF biogenic CC(C)CNS(=O)(=O)/C=C/c1ccccc1CCNC(=O)OC(C)(C)C 96019100 GSKXQVMGCTUUFL-ACCUITESSA-N 382.526 3.300 0 3 GGAF C/C=C/S(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)c(F)c2)[C@@H](C)C1 618020282 YEPBNDRYPPRROX-DGDCUBRUSA-N 396.406 3.094 0 1 GGAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)cc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 473152662 UYVHOFFHBDHGRB-CBGDNZLLSA-N 399.830 3.231 0 1 GGAF CCCCC[C@H](C[C@@H](O)CCc1ccc(O)c(OC)c1)SC[C@H](N)C(=O)O 299853079 FLGFJDUPADXJHD-BBWFWOEESA-N 399.553 3.178 0 1 GGAF CN1CCN(Cc2ccc3nc(Nc4ccc(C(F)(F)F)cn4)[nH]c3c2)CC1 299829177 KXMCAKNRZYTIQI-UHFFFAOYSA-N 390.413 3.468 0 1 GGAF Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1 653698598 GOBVHVAFADWXHN-UHFFFAOYSA-N 398.781 3.266 0 1 GGAF O=C1c2ccc(O)cc2O[C@]2(CCN(C3CC3)C(=O)C2)[C@H]1c1ccc(F)cc1 587343876 KXFQTBFOVILIDF-UNMCSNQZSA-N 381.403 3.414 0 1 GGAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc3cn[nH]c3cc2[nH]1 586952879 IXVUUNCEZORNMW-UHFFFAOYSA-N 396.457 3.364 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)NCCNC(=O)OC(C)(C)C 587871178 CHBHGKCOZWHKQC-UHFFFAOYSA-N 392.431 3.170 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)NC(C)(C)C)cc1)O2 587409353 LQAQUELXOJPMQY-SFHVURJKSA-N 388.489 3.361 0 1 GGAF Cn1c2c(ccc1=O)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585464 DIHJTXREFCQUFF-NFBKMPQASA-N 389.407 3.284 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C=C(CO)OC=C1OCc1ccccc1)[C@@H](C2)C3=O 587456678 XHIGVBQKRLIJKV-MBSDFSHPSA-N 392.407 3.146 0 1 GGAF C[C@@H]1CN(Cc2ccccc2)CC[C@@]12NC[C@@H]1CC(=O)N(C)c3cccc2c31 963018824 DYWNPRRJIVJCAD-YIGJPRQDSA-N 375.516 3.477 0 1 GGAF COC(=O)CCC[C@@H]1CCC[C@@]2(C1)N[C@H](C(=O)O)Cc1cc(C)c(O)cc12 963473190 SDSOZRIAZCOEEB-FNXXIHLHSA-N 375.465 3.028 0 1 GGAF NC(=O)COc1ccc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962693809 DKSQOOZWJWCFLW-QVKFZJNVSA-N 386.492 3.143 0 1 GGAF CCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)nc([C@H](C)O)c12 1772612692 BYQKNHJROMCPPW-MNOVXSKESA-N 387.415 3.432 0 1 GGAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@@H]2CCCOC2)cc1F 1772653793 ZKWDXPWWNHFPCB-SECBINFHSA-N 391.877 3.327 0 1 GGAF CC(C)(C)OC(=O)[C@H]1[C@H](c2ccco2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O 169300690 MOGZQUYGWOBQHJ-YJPQMCDFSA-N 394.464 3.003 0 1 GGAF CCc1c(-c2ccc(N3CC[C@@H](N(C)C)C3)cc2)nc(O)c2c(O)nsc12 1857584041 FTXNYVQIBXDXAL-CQSZACIVSA-N 384.505 3.472 0 1 GGAF COc1ccc(CNC(=O)/C=C/C=C/[C@H](O)Cc2ccc(OC)c(OC)c2)cc1 1857629123 VVUFMVUPTJHLAV-NTVKWWFTSA-N 397.471 3.045 0 1 GGAF CC(C)=CC[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)cc(O)cc5O[C@]431)C2=O 144175823 XCRBRZWMQVMPIY-SBFIGXDYSA-N 396.439 3.461 0 1 GGAF COCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)c(OC)c1OC 2483795 FXULBLXMCUTPCP-UHFFFAOYSA-N 392.452 3.041 0 1 GGAF CC(=O)[C@@H]1[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N[C@@]1(O)C(F)(F)F 7991228 QXWLIBJAVGUJDL-RYRKJORJSA-N 394.349 3.289 0 3 GGAF CN(C)c1ccc(-c2nc3cc(OCCOCCOCC[18F])ccc3o2)cn1 103064624 HBTICVCIITXGRS-GJQNQZCXSA-N 388.430 3.337 0 1 GGAF O=C(Nc1nc2ccc(F)cc2s1)N1CCN(c2ccc(Cl)nn2)CC1 28396435 ANAWRHDDQZBTFF-UHFFFAOYSA-N 392.847 3.233 0 1 GGAF O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@H]1/C=C/[C@@H](O)C1Cc2ccccc2C1 27074582 HBFPJNMHVFJGAS-LVEZKZLQSA-N 398.499 3.086 0 1 GGAF C[C@@]12C(=O)N(Cc3ccc(Cl)cc3)CC(=O)N1CCc1c2[nH]c2ccccc12 2129573 HJUCAFHKLBWJLP-JOCHJYFZSA-N 393.874 3.464 0 1 GGAF biogenic O=c1[nH]cc(-c2ccc(N3CCOCC3)cc2)c2sc(-c3cn[nH]c3)cc12 72176719 VBVQRWCLJVUBMP-UHFFFAOYSA-N 378.457 3.483 0 1 GGAF C[S@@](=O)c1ccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)cc1 34804172 BHWYZMVAIXGZSN-NDEPHWFRSA-N 390.420 3.315 0 1 GGAF O=C1NC(=O)[C@](c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)(C(F)(F)F)O1 71405064 XRCNALRZJWDTMY-GOSISDBHSA-N 388.301 3.219 0 1 GGAF CC(C)CC(=O)NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1 72101483 VYHZJHFCHCIOOQ-NRFANRHFSA-N 388.462 3.471 0 1 GGAF COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1 221887530 NYZULOOKYVABFY-UHFFFAOYSA-N 392.503 3.318 0 1 GGAF CC(C)(C)NC(=O)[C@]1(CCc2ccccc2)OC(=O)[C@@H](Cc2ccccc2)C1=O 49850681 SEXMJXDOLDPQNT-YADARESESA-N 393.483 3.258 0 1 GGAF COc1cc(-c2nc3c(NCC(C)C)ncnc3n2C[C@H]2CCCO2)ccc1O 82177815 YOKVEHIRKODNPD-OAHLLOKOSA-N 397.479 3.454 0 1 GGAF C=CC(=O)NCc1coc(-c2c(N)ncnc2Nc2ccc(F)c(Cl)c2)n1 84725854 KOKWLJWEESNBOB-UHFFFAOYSA-N 388.790 3.052 0 1 GGAF O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)[C@@H](CO)NCC3 143553387 IYHSNIDFZNUDRK-OAHLLOKOSA-N 377.849 3.098 0 1 GGAF Cc1nn(C)c2c1c(=O)c(C(=O)NC1CCCCC1)cn2Cc1ccccc1 95593406 JYEFPJKEFHNPMZ-UHFFFAOYSA-N 378.476 3.154 0 1 GGAF CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 255274545 VZSUPVZEJNDVGF-LKOXCALNSA-N 392.536 3.109 0 1 GGAF O=C(c1ccccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](Nc1ccc(Cl)cn1)C2 473170665 GZPNPFZMMODXQJ-ZVZYQTTQSA-N 394.866 3.173 0 1 GGAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 299879052 KEOIJLXDGIJWID-LXGCGDOSSA-N 385.895 3.498 0 1 GGAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(S)nc(S)nc2[nH]1)C(C)(C)C 587203678 GWDCHDHNGNDWIZ-QMMMGPOBSA-N 383.543 3.412 0 1 GGAF CCOC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 587585925 INKCGPSZDCVZBS-UTKZUKDTSA-N 395.367 3.434 0 1 GGAF Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnc2ncnn12 587799489 ZOLCWSPKZMQRJM-VVVCHXIZSA-N 390.260 3.132 0 1 GGAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587151137 GTNHIZNVLOCOIH-NEPJUHHUSA-N 377.416 3.363 0 1 GGAF Cc1oc2nc(Br)nn2c1[C@@]1(C)NCCc2ccc(F)c(C)c21 962375526 NVANKPCRGHSGKR-INIZCTEOSA-N 379.233 3.250 0 1 GGAF COc1ccc(C(=O)NCC2CCOCC2)cc1OC1CCN(C(C)C)CC1 11878814 RQAQIBFRDRGEOJ-UHFFFAOYSA-N 390.524 3.103 0 1 GGAF COc1ccc(S(=O)(=O)N(Cc2ccc(C(C)C)cc2)[C@H](C)C(=O)O)cc1 13440879 CBVFFOHBSFICTJ-OAHLLOKOSA-N 391.489 3.483 0 1 GGAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCC[C@@H]1CCc3ccccc31)C(=O)C2 13728362 DZAYYWWKNAJEMF-CSODHUTKSA-N 375.534 3.421 0 1 GGAF COCCOCO[C@@H]1/C=C\COC(=O)/C=C\[C@@H](OC)[C@@H]2CCC(C)=C1C2(C)C 169337140 KVCWSBGNYBVWSY-SQFAMODSSA-N 394.508 3.429 0 1 GGAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(/C=C\I)cc1)N2 169366473 GZWPHROGQGOESZ-MBAAJOFPSA-N 397.256 3.489 0 1 GGAF COC(=O)[C@H]1[C@@H](c2cccc(I)c2)C[C@@H]2CC[C@@H]1N2C 165884404 XUBVUMLIQBPHGD-XGUBFFRZSA-N 385.245 3.031 0 1 GGAF COc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc3c2OCO3)c1 201488793 KUXXQACKQGMWTM-MRXNPFEDSA-N 383.404 3.059 0 3 GGAF O=S(=O)(c1ccc(F)cc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 205211875 XNAIXMNDYUNKAB-IUODEOHRSA-N 398.818 3.042 0 3 GGAF Cc1nc2ccc(I)cn2c1/C=N/Nc1ccccn1 5071826 VLPCGOGWFWKPCZ-CAOOACKPSA-N 377.189 3.088 0 1 GGAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 767312 GHKIVVYJKYPADF-FPOVZHCZSA-N 396.487 3.312 0 1 GGAF CCN(CC)CCCNc1nc2ccccc2c2nc(-c3cccnc3)nn12 6805434 HWZLDILTHSVYID-UHFFFAOYSA-N 375.480 3.483 0 1 GGAF C[C@@H]1Cc2c(cnn2-c2ccccc2)C(=O)N([C@@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)C1 101668528 ZORKFISLJDPJLY-WSQWWHAFSA-N 391.515 3.446 0 1 GGAF Cc1nc2sc3c(c2c(N)c1C(=O)OCCC1CC1)CCC1(C3)OCCO1 26498169 HOTHDLMXYUFPSZ-UHFFFAOYSA-N 388.489 3.376 0 1 GGAF Cn1nc(C(C)(C)C)cc1NC(=O)[C@]1(C)CCN1C(=O)C1(c2ccccc2)CC1 61906249 MTYTXSGRVINMBQ-QFIPXVFZSA-N 394.519 3.379 0 3 GGAF COc1cc(-c2nc3nc(C)c4c(n3n2)N(C(C)(C)C)CC4)cc(OC)c1OC 28013082 JCFGABURXYPSGT-UHFFFAOYSA-N 397.479 3.287 0 1 GGAF COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3c(OC)ccc(OC)c32)c1 40898146 CMGMWEAHBPELCV-KRWDZBQOSA-N 383.400 3.089 0 1 GGAF Cc1ccccc1[C@@H]1CCc2c(C(=O)NC3COC3)cc3c(nc(C)n3C)c2O1 49125758 VUXFYXSXUNNMDS-FQEVSTJZSA-N 391.471 3.385 0 1 GGAF CC(C)CNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2 82209206 OVDOGBOXESTXBL-LJQANCHMSA-N 390.487 3.141 0 1 GGAF CC(=O)NCCNC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1 82133696 MGRUUIOPIAUXSU-UHFFFAOYSA-N 395.507 3.002 0 1 GGAF CC(C)(C)c1ccc(CNC(=O)c2cc(CN[C@H]3CCNC3)ccc2O)cc1 45227634 XHGTVSPHIPDEBN-IBGZPJMESA-N 381.520 3.071 0 1 GGAF CCC(=O)N1[C@H](CN(C)C(C)=O)[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CO 95602347 GMLSJYXNUSREQD-FUPPJEDESA-N 384.520 3.188 0 1 GGAF CSc1nn(-c2ccccc2)c2cc(N3CC[C@@H](N4CCNCC4)C3)ccc12 147343907 TYWZMLKLAQFPLI-LJQANCHMSA-N 393.560 3.231 0 1 GGAF CCOC(=O)c1[nH]cnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587791328 LNAXJBHIHQONRD-OQPBUACISA-N 382.233 3.112 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1nnc(-c2ccccc2)n1 587871760 CHUAOMVMFBLMDG-UHFFFAOYSA-N 392.394 3.082 0 1 GGAF CNC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587577787 LTSOUCXELHAPOM-NQIIRXRSSA-N 375.380 3.455 0 1 GGAF COc1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1 586954907 IOMJHLTYOBMFHN-UHFFFAOYSA-N 377.853 3.286 0 1 GGAF O=C(O)C[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609710 PFDDYFZCDCVCSI-DENIHFKCSA-N 392.363 3.430 0 1 GGAF COc1cccc([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1N 962664880 KUQVLATYYCKHLP-XZOQPEGZSA-N 391.471 3.188 0 1 GGAF CCOC(=O)C1([C@@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N32)CCC1 962660260 GIAFXKCKEOZMEM-FYYLOGMGSA-N 396.487 3.282 0 1 GGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](c2ccc(C3CCCCC3)cc2)(C(O)O)N1 962905475 FEJKWYPKYNJZSQ-REWPJTCUSA-N 399.462 3.027 0 1 GGAF Cc1cccc(C#CC=C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 141553453 BNKGWCWPTBNUPV-UHFFFAOYSA-N 377.469 3.024 0 1 GGAF Cc1cnccc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(C(N)=O)cnn2c1 1772570822 KIQUQFVYSGGMCG-GCJKJVERSA-N 392.507 3.122 0 1 GGAF COC[C@@H]1CCCN1C(=O)Cc1ccc(-c2nnc(O)c3ccccc23)cc1 1772653231 BJJLKTVJTOCVGW-KRWDZBQOSA-N 377.444 3.182 0 1 GGAF COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CCSC)C3)C2)c1 11662612 CJZDZNVZUGUSAL-FQEVSTJZSA-N 380.529 3.402 0 1 GGAF CCNC(=S)N(Cc1ccco1)Cc1cc2cc(OCC)ccc2[nH]c1=O 13570862 NKWZTFNBCYVIFL-UHFFFAOYSA-N 385.489 3.416 0 3 GGAF CCOc1nc(N2CCCCC2)c2nc(OCC)nc(N3CCCCC3)c2n1 13583328 XGNSMAQXBPGJEE-UHFFFAOYSA-N 386.500 3.198 0 1 GGAF O=C(CN1CCO[C@H](COc2cccc(Cl)c2)C1)N1CCc2ccccc21 150192712 APCQYPHUPXTFSO-IBGZPJMESA-N 386.879 3.009 0 1 GGAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@@]43C)[C@H]1CC[C@@H]2O 169369648 GZTBIVVIIVOAGD-JTMBTRGLSA-N 392.565 3.009 0 1 GGAF CC(=O)c1ccc(-c2cccc(NC(=O)CCc3ccc4c(c3)B(O)OC4)c2)cc1 1857545759 NMRLBUKHKPBPDN-UHFFFAOYSA-N 399.255 3.345 0 1 GGAF CCc1ccc(NC(=O)Cn2nc(C)cc(Cc3ccccc3OC)c2=O)cc1 1857591671 SAHXQKHCYJMGLY-UHFFFAOYSA-N 391.471 3.352 0 1 GGAF Cc1cc(OCCCN2CCN(c3ccncc3)CC2)c2c(C)cc(=O)oc2c1 1857656617 LOXXOFIKTFNJEJ-UHFFFAOYSA-N 393.487 3.396 0 1 GGAF COc1ccc([C@H]2C[C@@H](c3cc(OC)c(OC)c(OC)c3)N3NN=NC3=N2)cc1 2913992 SCVULIPSZWUGMJ-CVEARBPZSA-N 397.435 3.451 0 1 GGAF COc1cccc(-n2nnc(C3CC3)c2C(=O)N(C)c2ccc(Cl)cn2)c1 103297779 WAMMWYZRUMNFMI-UHFFFAOYSA-N 383.839 3.478 0 1 GGAF Ic1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1 28881905 BHMLFPOTZYRDKA-IAGOWNOFSA-N 395.240 3.400 0 1 GGAF in-vivo O=C1NC(=O)[C@@H](Cc2ccc(OCCNc3nc4ccccc4o3)cc2)S1 27312187 REFAUZLADKZTTI-MRXNPFEDSA-N 383.429 3.213 0 1 GGAF O=C1NC[C@H](c2ccc(Cl)cc2)N1S(=O)(=O)c1ccc2c(c1)CCC2 26572587 RIRXAZJCMGYECL-QGZVFWFLSA-N 376.865 3.284 0 1 GGAF COc1ccc2c(=O)oc(-c3ccccc3I)nc2c1 27743949 NILYLHQSDMPILV-UHFFFAOYSA-N 379.153 3.468 0 1 GGAF CC=C1CN2CC[C@@]34Cc5cc(O)ccc5[C@H](C)[C@@]35OC[C@@]4(C(C)=O)[C@H]1C[C@@H]25 2356709096 OUFAVWSSJDRCBJ-FSSDIFOVSA-N 379.500 3.437 0 1 GGAF CNc1c(Cl)cnc2[nH]c(-c3ccc(OCCN4CCOCC4)cc3)nc12 34097284 LUAFLHQGGFUREA-UHFFFAOYSA-N 387.871 3.031 0 1 GGAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@H](C(=O)N[C@@H]3CCC[C@@H]3O)CN(C)[C@@H]1C2 34023371 IMSDOBUYDTVEHN-ZNSCVOQBSA-N 395.547 3.212 0 1 GGAF COC(=O)Nc1nc2ccc([C@@]3(O)c4ccccc4C(=O)N3CC(C)C)cc2[nH]1 222389812 SLRODZGRHFZXNW-OAQYLSRUSA-N 394.431 3.046 0 1 GGAF CC1(C)Oc2ccc(-c3cccnc3Cl)cc2[C@@]2(COC(N)=N2)C12COC2 220719612 JMVWCLLKZHGJJD-FQEVSTJZSA-N 385.851 3.130 0 1 GGAF CC(C)(NC(=O)CCc1ccc(O)cc1)C(=O)NCCc1c[nH]c2ccccc12 40973457 MORYNHMBIDRJHC-UHFFFAOYSA-N 393.487 3.060 0 1 GGAF COc1cccc([C@@H]2CNC[C@@H]2C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)c1 49109304 QGLWCJJKZQZWHR-IRXDYDNUSA-N 397.862 3.132 0 1 GGAF CCCn1c(Oc2ccc(C(N)=O)cc2)nc2nc(C3CCCC3)[nH]c2c1=O 198734478 LJMUIENAFMGNLX-UHFFFAOYSA-N 381.436 3.078 0 1 GGAF O=C(COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCCC1 144817901 YTKNPSFZMWVVQG-LJQANCHMSA-N 377.362 3.466 0 1 GGAF CC(=O)OCC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2 238738225 LMKZVXRITQUETB-OAVQTBGQSA-N 394.508 3.466 0 1 GGAF O=C(C1CCCC1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 95797645 NRNCEUOQBAYXKT-ZWKOTPCHSA-N 396.453 3.170 0 1 GGAF O=C(O)CCC/C=C/C[C@H]1[C@H]2CC[C@@H](O2)[C@H]1CNCC(=O)Nc1ccccc1 253898134 QNVZKLNFWSYJGO-HDDSPCROSA-N 386.492 3.210 0 1 GGAF CN1CC(CS(=O)(=O)c2ccc3c(c2)nc(CC(C)(C)C)n3CC2CC2)C1 299828796 HHIXUVZGFXFDKH-UHFFFAOYSA-N 389.565 3.370 0 1 GGAF O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccccc1Br 299852660 VXEJEAGIINPLHK-UHFFFAOYSA-N 380.219 3.394 0 1 GGAF CC[C@H](Oc1ccccc1F)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587156690 XXAMZBVSXRLYSF-AWEZNQCLSA-N 377.441 3.482 0 1 GGAF COC(=O)C(=O)C[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348849 HRPOHFUQOQVINA-DENIHFKCSA-N 398.386 3.171 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(=O)Nc1ccc(OC)cc1 587870702 PQDQEDQYRJCTMI-UHFFFAOYSA-N 383.379 3.375 0 1 GGAF COC(=O)[C@]1(CC(=O)C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804738 FJGPGOFGCMIPCF-DYZYQPBXSA-N 386.261 3.106 0 1 GGAF COc1cccc(NC(=O)c2cc3n(n2)CCCN(C(=O)c2occc2C)C3)c1 1772627611 CENJLYHGNOJALZ-UHFFFAOYSA-N 394.431 3.092 0 1 GGAF Cn1c(NCCc2ccc(N3CCOCC3)cc2)nc2cc(Cl)ccc2c1=O 1772588363 ITUQTYPWBFMQOR-UHFFFAOYSA-N 398.894 3.078 0 1 GGAF COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)cc1F 11761514 WFOZWYOYPVTICO-AWEZNQCLSA-N 386.423 3.436 0 3 GGAF O=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CCC(Oc2cccc(F)c2)CC1 11842333 HGLCIAYEZRMEDB-MRXNPFEDSA-N 388.483 3.377 0 3 GGAF CCCCC[C@@H](C)NC(=O)C1=NO[C@H](C(O)(C(F)(F)F)C(F)(F)F)C1 13972718 JIKHYYKSXSXRDY-SCZZXKLOSA-N 378.313 3.072 0 1 GGAF Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(Cl)cc3)n2)n[nH]1 169312516 YXABNRNUULGJNP-UHFFFAOYSA-N 398.902 3.401 0 1 GGAF N#CN1C[C@H](C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)CC(F)(F)C1 1857597426 LAYXQNCDCMUZOO-LLVKDONJSA-N 388.403 3.063 0 1 GGAF C[C@@H]1CCCCN1C(=O)Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21 4118777 BMPKOZXJLLWWDA-MRXNPFEDSA-N 383.492 3.069 0 3 GGAF C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4206235 LOTZTURGWJIAKW-IWEFOYFVSA-N 375.856 3.091 0 1 GGAF Brc1cccc(CN[C@H]2[C@@H]3[C@@H]4[C@H]5C[C@@H]3[C@@H]3[C@H]5[C@H]([C@@H]23)C42OCCO2)c1 101263659 WAUBOCWMTBAXMK-XTXNWKRWSA-N 388.305 3.038 0 1 GGAF CCCCCOc1ccc(C[C@H](NC(=O)Cc2cccc(N)c2)C(=O)O)cc1 27852802 NDYKJROXBBBTGO-FQEVSTJZSA-N 384.476 3.192 0 1 GGAF CC(=O)O[C@@H]1C[C@H]2[C@@]3(CC[C@H]4C(C)(C)CCC[C@]42C)[C@@H]2[C@@H]1C(=O)O[C@H]2O[C@H]3O 2356642949 ADKDEFXBDGXIFR-XWEAALSVSA-N 392.492 3.015 0 1 GGAF COc1ccc(OC)c(S(=O)(=O)n2nc(-c3ccc(Cl)cc3)cc2N)c1 20320523 IVLDQSIXTKAVCI-UHFFFAOYSA-N 393.852 3.040 0 1 GGAF CCOC[C@]1(CN2CCCCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O 49032717 GPUMQWDWNBSHCU-JOCHJYFZSA-N 385.460 3.185 0 1 GGAF CCNc1nc(N(C)C[C@@H](O)c2ccccc2)nc2cc(OC)c(OC)cc12 82137886 GXNWRKKGZLWIRI-QGZVFWFLSA-N 382.464 3.249 0 1 GGAF CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(F)cc2)CC1 95576918 UOXPTNGUNWLGMI-FQEVSTJZSA-N 398.478 3.090 0 1 GGAF CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C)c4)cc3)[C@H]2C1 95874588 DMSQNCBXUTXOTC-WXFUMESZSA-N 378.516 3.433 0 1 GGAF C[C@H](O)[C@H](/C=C/C=C/C(=O)O)[C@H](C)C[C@H](C)[C@H](O)CC(=O)c1ccc(N)cc1 238733344 KCSUEQGOSJTUAZ-PCLKYAQSSA-N 389.492 3.059 0 1 GGAF COc1ccc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587400589 RKDGZIBAPCFMPT-OAQYLSRUSA-N 385.416 3.320 0 1 GGAF CN1CCN(c2ccc3nc(-c4ncc(Br)cc4F)[nH]c3c2)CC1 587156935 CNXVJVRDCINPQE-UHFFFAOYSA-N 390.260 3.278 0 1 GGAF CC1=C(c2ccc3nc(-c4ccc5c(c4)NC(=O)CS5)[nH]c3c2)NNC(=O)C1 587044150 QDLAQUBPXTUZPI-UHFFFAOYSA-N 391.456 3.030 0 1 GGAF CCOC(=O)[C@H](N=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340744 VRVPHPNWQVTXES-IMFGXOCKSA-N 387.363 3.347 0 1 GGAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587234160 CRFQZKBBOHAHTN-NTSWFWBYSA-N 378.148 3.074 0 1 GGAF CC(=O)Cn1c(=O)n(-c2cccc(C)c2)c(=O)c2c3c(sc21)CCCCC3 958059136 LFRIWUOJSMKHSS-UHFFFAOYSA-N 382.485 3.380 0 1 GGAF COc1ccc(Br)cc1[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962915248 UUHZJBXAPVFPFA-GOEBONIOSA-N 380.213 3.285 0 1 GGAF COc1cc(C[C@H]2C[C@H]2C(=O)O)c(Br)c(Br)c1OC 1772601790 YKKJXISLEKOFOH-POYBYMJQSA-N 394.059 3.492 0 1 GGAF CCc1c(CNc2cc(C(F)(F)F)ccc2OC)cnc2nc(N)nc(N)c12 5847187 BEAJEDLRWCEAET-UHFFFAOYSA-N 392.385 3.391 0 1 GGAF CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccc(F)cc1)C(C)(C)C 13588291 REGHPMOIWHOLII-CRAIPNDOSA-N 380.460 3.193 0 1 GGAF COc1cc(NC(=O)C[C@]2(C)N=C(c3ccccc3F)N(C)O2)cc(OC)c1 205222173 LBMCVWMWQRVTKF-HXUWFJFHSA-N 387.411 3.212 0 3 GGAF CCCSc1nc2nc(C)cc(Nc3ccc(N4CCN(C)CC4)cc3)n2n1 1857592067 BQOKVMHCCMXDMQ-UHFFFAOYSA-N 397.552 3.430 0 1 GGAF CCc1nnc(S[C@@H](CC)C(=O)NCCOC)c2cc3sccc3n12 6893904 PGJKYEKYRSUNMH-ZDUSSCGKSA-N 378.523 3.140 0 1 GGAF O=C(c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O)N1CCc2ccccc2C1 6918957 FHWAHSIUNUUORY-UHFFFAOYSA-N 383.407 3.081 0 1 GGAF CCO[C@H](C)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@]12CCN(C)[C@@H]3C5 101421961 YLGFGFSODXCCQV-PJMGLGQSSA-N 397.515 3.038 0 1 GGAF O=C1N[C@H](C(=O)O)Cc2ccc(cc2)OCCCCOc2cccc(Cl)c21 103258319 QJFRIWWRGGAVHB-INIZCTEOSA-N 389.835 3.317 0 1 GGAF COc1cc([C@@H]2COc3c(ccc(O)c3OC)C2)c(OC)c(OC)c1OC 14437375 HXMFOQRLTFPKOD-LBPRGKRZSA-N 376.405 3.154 0 1 GGAF biogenic C[C@H]1COCCN1C(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 224711871 ABPJXKFHZXFMDD-AWEZNQCLSA-N 392.434 3.393 0 1 GGAF CN(CC(=O)NCc1ccco1)C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085674 MWIBNOLSNXHNDH-UHFFFAOYSA-N 389.411 3.476 0 1 GGAF CC[C@@H](C)c1nc2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2[nH]c1=O 82232181 JXEUXBSYCGGMRF-CQSZACIVSA-N 381.455 3.297 0 1 GGAF CC(C)n1nc(-c2cnc(N)c(Cl)c2)cc1C1[C@H]2C[C@H]1CN(C1COC1)C2 146512693 ZLWLZHGCWWYAHN-KBPBESRZSA-N 387.915 3.196 0 1 GGAF CC(C)C[C@@H]1C(=O)N([C@@H](Cc2ccccc2)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 473199267 YVDGEXSSVKMMEG-UFYCRDLUSA-N 395.455 3.203 0 1 GGAF COC(=O)c1cc(Cl)c2nc(-c3ccc(NS(C)(=O)=O)cc3)[nH]c2c1 586951042 RJGZQOOQROVETR-UHFFFAOYSA-N 379.825 3.041 0 1 GGAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(-n4cccn4)c(F)cc3[nH]1)C2 587247738 YEISOPYHFHFYOO-NRFANRHFSA-N 377.423 3.239 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc([C@H](C)Sc3ncccn3)[nH]c2c1 586962911 BZNDNWQWGLVARQ-LBPRGKRZSA-N 391.522 3.285 0 1 GGAF CC(=O)Nc1cccc([C@@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 587385395 CMBDZOZNTNAZRE-HYGBKTPJSA-N 379.460 3.472 0 1 GGAF COC(=O)c1c(Cc2ccc(F)c(F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587649289 GTLRKXOAHYKZPP-UHFFFAOYSA-N 379.384 3.227 0 1 GGAF C=CC(=O)Nc1ccccc1[C@@H]1CCNc2c(C(N)=O)c(-c3ccccc3)nn21 1772636054 JBBORWIBODUOCL-KRWDZBQOSA-N 387.443 3.179 0 1 GGAF CC(C)Oc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1 12726118 IYWLOUCQMHQNNE-UHFFFAOYSA-N 392.891 3.060 0 3 GGAF COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(C)cc2)cc1 13490297 BMDHIXFGIMLKSR-NRFANRHFSA-N 397.519 3.376 0 1 GGAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 14952567 GTMOGHHWTKSVCD-UOSKARGWSA-N 377.506 3.257 0 1 GGAF CN(C(=O)Cn1ccc2c(Oc3cc(CN)ncn3)cccc21)c1ccccc1 1857543081 BBSKGHSMXQMELI-UHFFFAOYSA-N 387.443 3.345 0 1 GGAF COc1cc(CCn2cnc3ccc(-c4cncnc4)cc3c2=O)cc(OC)c1 1857545666 HBKGCKMWRJAMMF-UHFFFAOYSA-N 388.427 3.113 0 1 GGAF Cc1c([C@@H](C)n2cnc3ncc(-c4cnn(CCO)c4)nc32)ccc2ncccc12 1857616375 INZRTZKUXIIXQH-OAHLLOKOSA-N 399.458 3.148 0 1 GGAF CC(=O)OC[C@@]12CC[C@@H]3[C@H](C)CN4C[C@H]1CCC1=C5[C@@H](CC1)[C@H](C(=O)O)C[C@]52[C@@H]34 2356389126 IHVFWTKRIURIBX-NPQMWUDVSA-N 399.531 3.487 0 1 GGAF COc1ccc(NC(=O)Cn2ncc3c(=O)oc4ccccc4c32)cc1Cl 4992528 GGHBTHFEJXOEPX-UHFFFAOYSA-N 383.791 3.443 0 1 GGAF CC(=O)N1CCc2cc([C@@H](O)CN3CCN(c4cccc(C)c4C)CC3)ccc21 20287260 OLVUEKKSJJIYNK-DEOSSOPVSA-N 393.531 3.068 0 1 GGAF COc1ccccc1N1CCN(CCN[C@H]2CCCc3c(OC)cccc32)CC1 22937541 FVDGLILSFMGSJG-NRFANRHFSA-N 395.547 3.493 0 1 GGAF CC(=O)OC[C@H](CCC=C(C)CO)CCC[C@@H](CO)CCCC1=CCOC1=O 2356682705 QOWNCLHFBMXMSV-WOJBJXKFSA-N 396.524 3.317 0 1 GGAF Cc1ccc2c(c1)[C@@]1(SC[C@H]3C(=O)N(C4CCC(C)(C)CC4)C(=O)N31)C(=O)N2 66252430 YHROZFIPDDTXME-HRAATJIYSA-N 399.516 3.448 0 1 GGAF COc1c(O)c(Br)c(Br)c(CO)c1Br 14769544 JPMNXWDCTJIJTH-UHFFFAOYSA-N 390.853 3.181 0 1 GGAF biogenic COc1cc2nc(NCCCCO)nc(NCCc3ccccc3)c2cc1OC 82128079 ZTTSZWYZQUTZSX-UHFFFAOYSA-N 396.491 3.486 0 1 GGAF COc1ccnc2[nH]cc(-c3cc(C(=O)N[C@H](CO)c4ccccc4)co3)c12 230562430 XLDPHGRFRISBLZ-MRXNPFEDSA-N 377.400 3.295 0 1 GGAF O=C(NCCc1ccccc1)c1c(-c2ccccc2)n(O)c2ccccc2[n+]1=O 377829986 XRADDPDYFDBHJN-UHFFFAOYSA-O 386.431 3.433 0 1 GGAF COc1ccc(OCc2cn(Cc3cc(=O)oc4cc(OC)ccc34)nn2)cc1 653766988 YZQZAWMWRZFYKB-UHFFFAOYSA-N 393.399 3.029 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2c1 586908251 ZYHOTHXDMKHLBP-PDGQHHTCSA-N 397.456 3.262 0 1 GGAF NC(=O)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 587019040 FNORICDDWQVXPX-UHFFFAOYSA-N 392.444 3.353 0 1 GGAF O=C(O)c1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O 587943534 HAKMHROMUSDFMO-UHFFFAOYSA-N 389.310 3.222 0 1 GGAF CN=c1[nH]c(N)c([C@@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)s1 587413844 PUQHQEQLWOADNR-NRFANRHFSA-N 394.500 3.297 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H]1COCCN1C(=O)OC(C)(C)C)O2 587395529 NTKOWCRPTDSIJS-QKKBWIMNSA-N 390.480 3.327 0 1 GGAF CC(C)(C)OC(=O)N(CCc1ccc2c(O)nc(O)nc2n1)Cc1ccccc1 587370126 UATPHHKMPYZOFY-UHFFFAOYSA-N 396.447 3.416 0 1 GGAF CCOC(=O)Cc1ccc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c1 587246463 GLBOVPKQGBTGFL-QFIPXVFZSA-N 379.460 3.020 0 1 GGAF COC(=O)C[C@@]1(c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587776447 CSOCQOPOFHZSCU-ZMZPIMSZSA-N 393.256 3.324 0 1 GGAF COc1cccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1O 587868324 ZEAOKCOQZGUSEV-UHFFFAOYSA-N 393.321 3.375 0 1 GGAF CC(=O)N[C@@H](Cc1nc2ccc(CO)cc2[nH]1)c1ccc(Br)cc1 586984339 FHNLONMCZNEDGX-INIZCTEOSA-N 388.265 3.238 0 1 GGAF COC(=O)Cn1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587758364 WTHZXICEJLSVCZ-QGHHPUGFSA-N 381.245 3.186 0 1 GGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CC(=O)CCC(=O)O)c1ccccc1 963609222 MWFICUFRCPCLMN-WNSKOXEYSA-N 397.471 3.306 0 1 GGAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc([C@H](O)C3CC3)c12 1772607949 UHEWEIPEPMGQJW-ADLMAVQZSA-N 381.436 3.293 0 1 GGAF Cc1ccc(S(=O)(=O)[C@@H]2C(=O)N(C)[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1C 12437969 ARPMGSDUMKEKFQ-SLYNCCJLSA-N 385.485 3.200 0 1 GGAF COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1cccc2ccccc12 13125872 FLWCJMBINCLEJX-LJQANCHMSA-N 382.416 3.218 0 3 GGAF c1ccc2c(c1)N=C(N1CCN(C[C@@H]3COCCO3)CC1)c1ccccc1S2 13861693 JQVYTKSKCOOLBH-QGZVFWFLSA-N 395.528 3.263 0 1 GGAF COc1ccc2c(c1)c(C=O)c1n2CCN2C(=O)c3cc(C)ccc3N(C)[C@@H]12 222001459 CZLXXIGDJQFVDQ-OAQYLSRUSA-N 375.428 3.375 0 1 GGAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4048993 KLMFFBDOURYFNH-BUKVSMQUSA-N 395.503 3.243 0 1 GGAF O=C(NCc1ccc(Cl)cc1)[C@@H]1CN(C(=O)c2ccc(F)cc2)CCS1 6585231 QIAODCQHVCNEJE-KRWDZBQOSA-N 392.883 3.353 0 1 GGAF O=C(c1cnccn1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 100107469 TVLOWHGESUOYRI-RVPMJHOHSA-N 382.467 3.227 0 1 GGAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cnc3ccccc3c2)c1 114078274 RMYXWNNWPXHXJT-UHFFFAOYSA-N 386.459 3.004 0 1 GGAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(/C=C\I)cc1)N2 28012025 GZWPHROGQGOESZ-WJAVLHKVSA-N 397.256 3.489 0 1 GGAF COc1ccc(CCO[C@H]2CCCC[C@@H]2N2CCC3(C2)OCCO3)cc1OC 22011108 FZBQGKNQUGVJNS-OALUTQOASA-N 391.508 3.023 0 1 GGAF COC(=O)[C@@]1(c2ccc(OC)cc2)C[C@H]1CN1CCC(O)(c2ccccc2)CC1 28635836 HPDLWFJHJQWBLM-GBXCKJPGSA-N 395.499 3.110 0 1 GGAF CCC[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 116184937 LDVVRQJDCUKPGB-HNNXBMFYSA-N 389.419 3.307 0 1 GGAF O=C1NCN(c2ccccc2)C12CCN(CCC[C@H](O)c1ccc(F)cc1)CC2 66259412 YSRGOOQOJKGMEG-NRFANRHFSA-N 397.494 3.068 0 1 GGAF CC(=O)CC[C@@]1(C)CC[C@]2(C(C)C)O[C@@H](O)[C@H](OC(=O)c3ccc(O)cc3)[C@H]12 32296494 NXAOPHXQGPBAHR-FTSHXLFYSA-N 390.476 3.447 0 1 GGAF biogenic,in-vitro C[C@H](NC1=NC(=O)[C@](C)(Cc2ccc(C(N)=O)cc2)S1)c1ccc(F)cc1 40872318 UWEWELHRHRROOB-YUNKPMOVSA-N 385.464 3.206 0 1 GGAF COC[C@@H]1Cc2cc3c(cc2[C@H](c2ccc4c(c2)OCO4)[C@H]1COC)OCO3 95919315 XNZRAIUXPDCEOA-YHEJKZAPSA-N 384.428 3.357 0 1 GGAF biogenic,in-vitro Cc1cc(F)ccc1NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1 95588012 ZTKJDTUFILTDQB-UHFFFAOYSA-N 389.408 3.012 0 1 GGAF CNC(=O)Cc1coc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12 95584136 BDKONCSXFXCMKC-UHFFFAOYSA-N 379.821 3.142 0 1 GGAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](NC)CC2 140439200 CGXVLZCHCUSGSF-VXKWHMMOSA-N 386.561 3.377 0 1 GGAF Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)n1 253681505 AFFQHADHKVBBKI-GASCZTMLSA-N 389.450 3.282 0 1 GGAF COc1ccc(-c2ccc(C(=O)N[C@@H](CO)Cc3ccccc3)o2)cc1OC 621429310 CQOWGNTYKVDXNX-QGZVFWFLSA-N 381.428 3.297 0 1 GGAF O=C(COc1ccc(C(=O)N=c2cc[nH]cc2)cc1)NCc1ccc(Cl)cc1 473112981 FBILUWKJBDHEKT-UHFFFAOYSA-N 395.846 3.104 0 1 GGAF CCCNCC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1 653724583 CGYRCXZUKUKSBL-FQEVSTJZSA-N 389.455 3.470 0 1 GGAF NC[C@@H](O)CNc1cc(N2CCC(c3ccccc3)CC2)nc2ccccc12 653823865 UXQGUTZHOUFLOP-LJQANCHMSA-N 376.504 3.350 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1cc4cc5c(cc4nc1O)OCCO5)[C@@H](C2)C3=O 587435153 CDOGWMZWGHXFMS-YEJXKQKISA-N 391.379 3.209 0 1 GGAF Cc1cc2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2cc1C 586947407 XQINWEKQVXAOAP-MRXNPFEDSA-N 385.489 3.304 0 1 GGAF CCOC(=O)c1c[nH]nc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587801508 HAEGSGYTVKYUJY-GLEZIHRCSA-N 382.233 3.112 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnn2-c2ncccn2)N1 587758385 IRCYCGPSKJXXNF-QFYYESIMSA-N 388.244 3.188 0 1 GGAF COc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C 587554911 YFDNMQNAJACLTQ-SUMWQHHRSA-N 386.791 3.491 0 1 GGAF Nc1ccnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc12 586961711 SNDAWQDHDVBZDK-XKQJLSEDSA-N 397.504 3.235 0 1 GGAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 586946809 QCTYRKZLJDDHQD-UHFFFAOYSA-N 399.394 3.155 0 1 GGAF COc1cc([C@@H]2NCCc3ccc(F)c(C)c32)c(Cl)cc1OCC(=O)O 962092384 NCASIDUOEFZJSK-IBGZPJMESA-N 379.815 3.495 0 1 GGAF NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962898964 NHNVTHXPAWGBSJ-NYVOZVTQSA-N 386.442 3.131 0 1 GGAF COCCN1CCC(CN(Cc2ccncc2)Cc2ccc3c(c2)CCO3)CC1 11820480 GYZRQJXIOISRNV-UHFFFAOYSA-N 395.547 3.377 0 1 GGAF COc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)OCC(Cl)(Cl)Cl 12466361 HZWFFHACBYVHEH-GFCCVEGCSA-N 388.700 3.294 0 3 GGAF Cc1cccc(C)c1OCc1cc(C(=O)N2CCN(c3ccccn3)CC2)no1 12583080 DMFDUZDFZOEYNM-UHFFFAOYSA-N 392.459 3.228 0 3 GGAF O=C1CSCN1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 13759350 SUIWRRCXSBMAQI-UHFFFAOYSA-N 387.471 3.141 0 1 GGAF CC[C@H](C)Cn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc21 13839085 OBEYBODMAAHOBJ-LBPRGKRZSA-N 385.468 3.071 0 1 GGAF CNc1nc(Nc2cc3c(cc2OC)N(C)C(=O)C(C)(C)O3)ncc1Cl 169704559 YRNHSUZCMBCPRA-UHFFFAOYSA-N 377.832 3.058 0 1 GGAF Nc1nc(Cl)c(N)c(NC[C@]2(CO)CC[C@H](CCc3ccccc3)C2)n1 1658376 IJKXANOLARVCFK-LIRRHRJNSA-N 375.904 3.118 0 1 GGAF COc1ccc([C@@H]2C[C@H](O)[C@H](O)[C@H]2NCc2cccc(C(F)(F)F)c2)cc1 2356313306 YZAGYGFGECBJBH-VJANTYMQSA-N 381.394 3.082 0 1 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NC[C@H](O)CC 4151920 OFOIALDYHPDZDC-PBEJRMEISA-N 382.460 3.064 0 1 GGAF COc1cccc(NC(=O)N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)c1 4965611 JGPHMNYJYHWBFR-INIZCTEOSA-N 385.439 3.395 0 3 GGAF COc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccccc5o4)C[C@@H]3C2)c(OC)c1 116822605 KJXRSQLGIYNXNQ-GJZGRUSLSA-N 393.443 3.053 0 1 GGAF Cc1ccc(S(=O)(=O)n2ccc3ccc(N4CCN5CCC[C@H]5C4)cc32)cc1 58563377 LOCNIBUPFGMZHY-FQEVSTJZSA-N 395.528 3.471 0 1 GGAF COC(=O)/C=C/c1ccccc1-c1ccc2c(=O)cc(N3CCOCC3)oc2c1 28564641 KAQKYIFVDVXSMK-VQHVLOKHSA-N 391.423 3.483 0 1 GGAF COc1ccc(C(=O)c2c(C)n(CCN3CCNCC3)c3ccccc23)cc1 22937647 ZBCDWBYXYFIYSV-UHFFFAOYSA-N 377.488 3.095 0 1 GGAF CCN(CC)C(=O)Cn1c2nn(-c3ccccc3)c(=O)c-2c(C)c2ccccc21 101449256 JOSLXCBAPHADMX-UHFFFAOYSA-N 388.471 3.469 0 1 GGAF C[C@H]1C(CSc2ccc3ccccc3c2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 26494836 FSFMDTUGJXYOQY-PCHOHSICSA-N 383.469 3.128 0 1 GGAF Cc1cccc(Nc2ncnc3cc(NCCCN4CCOCC4)ncc23)c1 21289327 YBNNPKWJNJBQNZ-UHFFFAOYSA-N 378.480 3.211 0 1 GGAF CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)C(=O)C[C@H]1N1CCOCC1 33815033 OJXUZWPZAHUBKO-YMPZKCBVSA-N 381.472 3.232 0 1 GGAF O=C1NCc2ccc3c(c21)C[C@H](NCCCc1c[nH]c2ccc(F)cc12)CO3 35067189 HLUXTZQWSRDLAS-INIZCTEOSA-N 379.435 3.076 0 1 GGAF CCNC(=O)c1cnc(N)c2cc(-c3ccc(N4CCOCC4)cc3)sc12 73224653 MWEYUGKSUFPEAR-UHFFFAOYSA-N 382.489 3.132 0 1 GGAF COc1cc(F)c(-c2c(N)c(C(=O)c3ccc(F)cc3F)cc[n+]2[O-])c(F)c1 43020970 OXWIKLOAFBPQIT-UHFFFAOYSA-N 392.308 3.365 0 1 GGAF C[C@]1(C(=O)NC2CCCCC2)CCC(=O)N1C1CCN(Cc2ccccc2)CC1 199397714 NLUZLGTZABOPHF-XMMPIXPASA-N 397.563 3.481 0 3 GGAF CCCN1C(=O)N2CC[C@@H](CC)N=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21 40575591 NTRDRCZCOAOXEX-OZJRSANCSA-N 385.512 3.327 0 1 GGAF Cc1nc(Sc2nnc3c4ccccc4n(C)c3n2)nc(N2CCCCC2)n1 49820500 YQAHPGURJLSYEX-UHFFFAOYSA-N 392.492 3.151 0 1 GGAF CCc1nc(C(=O)NCc2ccc(C(=O)NCc3ccccc3N)cc2)cs1 82069750 DWPWESFYVNPODK-UHFFFAOYSA-N 394.500 3.148 0 1 GGAF COc1cccc(NC(=O)N2[C@@H](CO)[C@H](c3ccccc3)[C@@H]2CNC(C)C)c1 95895199 RLOBSZGUXAQKLP-PCCBWWKXSA-N 383.492 3.054 0 1 GGAF C[C@@H](NC(=O)Nc1ccc(NS(N)(=O)=O)cc1)c1cccc2ccccc12 95586167 FMKCGWOUHFVPIR-CYBMUJFWSA-N 384.461 3.338 0 1 GGAF CCC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](CO)c2ccccc2)cc1 144880589 VSLVWNLPPYDMFC-HSQYWUDLSA-N 385.504 3.427 0 1 GGAF CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[C@H](N3CCC[C@H]3C)C2)cc1C 261161151 QXHDJHWLJKVICN-PIPMEXSNSA-N 398.551 3.007 0 1 GGAF Cc1cc(-c2nc3nc(Cl)ncc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125245 OWVOEDAOSHWCND-UHFFFAOYSA-N 391.762 3.243 0 1 GGAF COC(=O)Cc1ccccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587782933 ASUSAPPJKCCCKM-UHFFFAOYSA-N 389.415 3.005 0 1 GGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cccc(Br)c2[nH]1 587230125 FLPYDIDKYAXSRB-VXGBXAGGSA-N 380.286 3.362 0 1 GGAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 586958556 JKWXHPCUXWRBRA-OAHLLOKOSA-N 386.260 3.339 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@H]3COC[C@@H](C1)N3C(=O)OC(C)(C)C)O2 587399676 MTNCETWXTQDOGS-UDQVXKKJSA-N 388.464 3.080 0 1 GGAF COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O 587436755 SREPISFUURNQSG-FDDCHVKYSA-N 387.391 3.480 0 1 GGAF COC(=O)CC[C@H](N)c1nc2c(Br)ccc(Br)c2[nH]1 587259005 VTMSYWOLZFGWLL-QMMMGPOBSA-N 391.063 3.041 0 1 GGAF COC(=O)CCC[C@H]1CCC[C@]2(C1)N[C@H](C(=O)O)Cc1cc(C)c(O)cc12 963473192 SDSOZRIAZCOEEB-XXHMAFKTSA-N 375.465 3.028 0 1 GGAF CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(Sc4ccccc4)oc23)[C@@H](O)C1 12355057 FRPNTLUZPVREQA-DYVFJYSZSA-N 399.468 3.135 0 1 GGAF CCOC(=O)[C@]1(C)Oc2ccccc2C(c2ccc(OC)cc2)=C1C(=O)OC 13814249 SQDLQUVHRJQKTA-JOCHJYFZSA-N 382.412 3.384 0 3 GGAF COc1cc(NC(=O)C[C@]2(C)N=C(c3cccc(OC)c3)N(C)O2)cc(OC)c1 205221993 OACXYLITCQVQSD-OAQYLSRUSA-N 399.447 3.081 0 3 GGAF CCOC(=O)N1CCN(C(=O)c2ccc3c(C)c4c(nc3c2)CCCC4)CC1 1857540698 RULOVFXFECWNGY-UHFFFAOYSA-N 381.476 3.336 0 1 GGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2c(OCCO)nccc21 1857614582 OBLYHBFGOHEIFQ-UHFFFAOYSA-N 389.455 3.107 0 1 GGAF COc1ccc(F)cc1[C@@H](C)NC(=O)N(C)S(=O)(=O)c1ccc(C)cc1 1857750907 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COc1cc(OC)c2ccc(=O)oc2c1C[C@@H](OC(=O)CC(C)C)C(C)(C)O 14594019 RMQZBJJKSNDYKQ-QGZVFWFLSA-N 392.448 3.082 0 1 GGAF biogenic C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Br)cn1 1911572932 GVWNMTULPZACTR-SNVBAGLBSA-N 378.226 3.054 0 1 GGAF COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccccc4)CC3)c2c1 221886130 WQXBNJFLMXSIJY-UHFFFAOYSA-N 378.476 3.214 0 1 GGAF COCCNC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21 49112757 LOAFZNVXNLHXAK-INIZCTEOSA-N 377.481 3.314 0 1 GGAF Fc1cc(O[C@@H]2CCNC[C@@H]2F)c2nc(-c3nnc4ccccn34)ccc2c1 96175064 KXDUVJWVGXIEPX-GOEBONIOSA-N 381.386 3.162 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@@H]1c1cccc(C)c1 95568300 MCEPXTYKIMIIFY-LJQANCHMSA-N 389.448 3.369 0 3 GGAF CC(=O)NCC(=O)N1CCC2(CC1)CCN(c1ccccc1)c1ccccc1O2 95597260 RZXPKWKTBMPCGE-UHFFFAOYSA-N 393.487 3.105 0 1 GGAF CC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(C)c4)cc3)[C@@H]2C1 95874592 DMSQNCBXUTXOTC-KMDXXIMOSA-N 378.516 3.433 0 1 GGAF COc1ccc(NC(=O)O[C@H](c2ccc(OC)c(O)c2)[C@@H](CCO)OC)cc1 95784054 ZUPRNXJGDYPULX-RTBURBONSA-N 391.420 3.097 0 1 GGAF CC[C@@H]1[C@H]2CCCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)C[C@H]([C@H]23)[C@@H]2[C@@H](C)C(=O)O[C@H]12 255214344 GYOGHROCTSEKDY-PYEBYWHWSA-N 375.509 3.015 0 1 GGAF OCC12CCC(c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)(CC1)CC2 586895499 KAILVBVWYVQFFH-UHFFFAOYSA-N 379.464 3.207 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2c(c1)OCCO2 587587536 OIQFMAIGVUUBNG-FXAWDEMLSA-N 377.352 3.261 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1CO 587868110 URWUIRBUTQPRJC-UHFFFAOYSA-N 377.322 3.153 0 1 GGAF COC(=O)c1cccc(NC(=O)C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587426908 AOXJFGSKHZDROE-OPAMFIHVSA-N 395.411 3.017 0 1 GGAF COC(=O)c1ccccc1[C@@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962637214 KOZMKMMZWGGDBG-WMZHIEFXSA-N 390.439 3.209 0 1 GGAF CCOC(=O)c1cc2c(n1Cc1ccc(OC)cc1)-c1nc(N)ncc1CCC2 1772614873 XUWSVEMVWHLIKJ-UHFFFAOYSA-N 392.459 3.250 0 1 GGAF COc1cccc(SCc2noc(C(=O)NC(C)C)c2C(=O)NC(C)C)c1 12726528 HFSRQSGSEJNELN-UHFFFAOYSA-N 391.493 3.252 0 3 GGAF CC(=O)c1ncc([C@H](C)O)c2c1C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]1C2 205272471 RSLKSUHBMYBIGX-VOJFVSQTSA-N 375.428 3.115 0 1 GGAF c1ccc([C@@H]2CCN(c3ncnc4c3cnn4CCN3CCCCC3)C2)cc1 208733380 MOEBXQNKDNLLMQ-LJQANCHMSA-N 376.508 3.306 0 1 GGAF F[C@@H]1CN(Cc2cnc3ccccc3c2)C[C@H]1OCc1nc2cccnc2[nH]1 2356312707 GEIOMUYIOWOHMX-VQIMIIECSA-N 377.423 3.245 0 1 GGAF c1cc(C2=NCCN2)ccc1OCCCCCOc1ccc(C2=NCCN2)cc1 6092813 OIXYPNVIRVOZFH-UHFFFAOYSA-N 392.503 3.014 0 1 GGAF O=C(NCCCN1CCOCC1)c1ccc2c(Cl)c3c(nc2c1)CCCC3 20286789 IDLSFCKOZHWZBS-UHFFFAOYSA-N 387.911 3.219 0 1 GGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](Cc4ccccc4)C[C@@H]4[C@H](C2)N(C)CC[C@]341 29231892 JKQIXBQTODIBRA-KSDLHCFASA-N 389.495 3.402 0 1 GGAF CCCNC(=O)CCC(=O)N1CCCn2nc(-c3cn(C)c4ccccc34)cc21 21533126 AZPYDSSXJIBMSI-UHFFFAOYSA-N 393.491 3.085 0 1 GGAF CC(C)(C)NC(=O)NC(=S)NC(=O)[C@H]1[C@@H](/C=C(\Cl)C(F)(F)F)C1(C)C 28563459 DTMMRFMBPZOSGG-IDJYNPRVSA-N 399.866 3.442 0 1 GGAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCCC1)c1ccc(C(F)(F)F)cc1 2356538666 MVDNTCKVTXVYBA-ZHALLVOQSA-N 395.469 3.241 0 1 GGAF COc1cc(C(=O)N[C@H]2CCCN(Cc3ccc4c(c3)OCO4)C2)ccc1C 28464793 YCQSRHAKWNYIRA-SFHVURJKSA-N 382.460 3.127 0 1 GGAF Nc1nc(N)c2cc(S(=O)(=O)c3ccccc3-c3ccccc3)ccc2n1 32290274 FUICDFCZNKWTSO-UHFFFAOYSA-N 376.441 3.294 0 1 GGAF CCC/C=C/c1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1 40938707 IJIRECRDXSGOGZ-SQMIUHGUSA-N 396.443 3.111 0 1 GGAF COC(=O)CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82072360 VNSGCLXLMZDRBM-UHFFFAOYSA-N 396.243 3.282 0 1 GGAF COc1cccc(OC)c1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2 226039541 MFJLFVLFCUKOQE-BPUTZDHNSA-N 386.423 3.310 0 1 GGAF CC(C)(C)[C@@H](NC(=O)c1cc(OC2COC2)c(Cl)cn1)c1nccs1 149228182 UHDXITGYAGWUGG-AWEZNQCLSA-N 381.885 3.486 0 1 GGAF COC(=O)/C1=C\CC[C@@]2(C)O[C@@H]2CC/C(C(=O)OC)=C\[C@H]2O[C@]2(C(C)C)CC1 238781043 CMMSHXJIVVKGEQ-NADQPTSTSA-N 392.492 3.491 0 1 GGAF O=C(NCCc1ccncc1)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 299859810 YQGZUTOPPAGXFP-UHFFFAOYSA-N 399.922 3.265 0 1 GGAF Cc1cc(CN2C(=O)/C(=C/C(=O)Nc3ccc(O)cc3)c3ccccc32)on1 299863711 PPRFGPUUSQWBEE-WOJGMQOQSA-N 375.384 3.258 0 1 GGAF COCC(C)(C)n1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc21 653788964 LFNRCBHKRBXNMG-UHFFFAOYSA-N 381.432 3.248 0 1 GGAF CC(C)c1nc(C(=O)NCC2CCN(CC3CCOCC3)CC2)c2ccccn12 653788020 LPCQOJJAHHIJNG-UHFFFAOYSA-N 398.551 3.326 0 1 GGAF O[C@H](c1nc2cc(I)cnc2[nH]1)c1ccccc1Cl 587058623 HLZITUVCUBSFOB-NSHDSACASA-N 385.592 3.298 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(CC(=O)OCC)c1C)CC2=O 587474388 DCDXCDBTUQANHW-GOSISDBHSA-N 386.448 3.428 0 1 GGAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc2ncnn12 587585668 GPDHOKSQEGKFLT-LAUBAEHRSA-N 388.383 3.015 0 1 GGAF Cn1nc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(F)c1O 587156801 ZEOQROXEZQNDHI-UHFFFAOYSA-N 395.110 3.469 0 1 GGAF CCOc1n[nH]c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1Br 586979741 KBZWSGHWEVROSI-UHFFFAOYSA-N 391.204 3.439 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1cnn(-c3ccccc3)c1)CC2=O 587477843 VJDSOBACACYNSA-JOCHJYFZSA-N 392.411 3.476 0 1 GGAF CC[C@@]1(c2ccc(OCC(=O)O)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587400746 OBIPIPDLTGHSLF-NRFANRHFSA-N 385.416 3.320 0 1 GGAF CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(F)ccc21 587568247 GZXKFRYGXFIAEN-XMSQKQJNSA-N 391.354 3.365 0 1 GGAF CCOC(=O)c1c[nH]nc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587801042 COLKBGWIXRVFHW-XLKFXECMSA-N 382.233 3.112 0 1 GGAF CS(=O)(=O)/C=C/c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586925178 FSTSQWCFVRVUDM-NSCUHMNNSA-N 385.161 3.239 0 1 GGAF O=C1O/C(=C\c2nc3cc(I)cnc3[nH]2)c2ccccc21 586905828 DJIGEAOXVIBDGM-SDQBBNPISA-N 389.152 3.231 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCCCN(C)C 587863160 DELSCTAJNDAXKY-UHFFFAOYSA-N 386.443 3.252 0 1 GGAF Oc1ccc([C@]2(CN3CCOCC3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963096269 DDBFMTBBEVXDFO-NFBKMPQASA-N 382.479 3.128 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@H](c3ccccc3OC[C@@H]3CCCO3)c3cccc1c32 963028979 PLTMXJPYJRHHJC-VBURHUQHSA-N 378.472 3.387 0 1 GGAF COc1cc2c(cc1O)[C@@]1(Cc3ccc(OC)c(OC)c3)CCC(=O)N1CC2 5882754 AJTRTRRZURYJBQ-QFIPXVFZSA-N 383.444 3.035 0 1 GGAF COc1ccccc1CN1C[C@@H](C(=O)NC2(c3ccccc3)CC2)CCC1=O 12469380 XSBGHPQKDMXRGP-SFHVURJKSA-N 378.472 3.239 0 3 GGAF COc1cccc(CC2(CO)CCN(C(=O)NCCc3ccccc3)CC2)c1 13594165 JUNLXLASJRAQJT-UHFFFAOYSA-N 382.504 3.265 0 3 GGAF CC(=O)O[C@@H]1C=C2C(=O)OC[C@]23CC[C@@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@H]3C1 14446230 ALSAICPZWKIBDE-ISKUZMQCSA-N 388.460 3.107 0 1 GGAF CN1CCN(c2cccc(Nc3ncc4ccn(-c5ccccn5)c4n3)c2)CC1 14954925 RXLPNVPKEWSUHJ-UHFFFAOYSA-N 385.475 3.311 0 1 GGAF CC(C)C[C@H](C[PH](O)(O)C1=CCCN1C(=O)OCc1ccccc1)C(=O)O 169685917 WTTYTDYQCIMIAP-MRXNPFEDSA-N 397.408 3.182 0 1 GGAF Cc1cccc(N2CCN(CCc3oc(=O)[nH]c3-c3ccc(F)cc3)CC2)c1 26375992 MQKGNQOZLZEXDJ-UHFFFAOYSA-N 381.451 3.447 0 1 GGAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)NCc2ccco2)O3)c1 61930588 RPRNHGLMEIYOCT-JOCHJYFZSA-N 391.427 3.310 0 3 GGAF CC(=O)OCC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356611579 BNKAAQVNYUWGCV-SGSGVXJPSA-N 392.536 3.253 0 1 GGAF Cc1nc(-c2ccccc2Br)cc([C@H]2CN3CC[C@H]2C[C@H]3CN)n1 2356831487 JPOMWEPMWWVITN-DZKIICNBSA-N 387.325 3.351 0 1 GGAF C[C@@H](N[C@@H]1CNS(=O)(=O)Oc2ccccc2C1)c1cccc2ccccc12 72105902 RZOIVOCJBKPHQW-QAPCUYQASA-N 382.485 3.329 0 1 GGAF COc1ccc([C@H]2CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2)cc1OC 14436445 XRMJVHGTNXEOHH-CYBMUJFWSA-N 390.388 3.142 0 1 GGAF biogenic O=C(NC1CC1)c1cn(-c2cccc(-c3cccnc3)c2)c2ncccc2c1=O 34229293 BZGQOJQWGPGJSX-UHFFFAOYSA-N 382.423 3.340 0 1 GGAF CN(C)C(=O)C1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72103108 ZNCGZONAQWDLSY-SFHVURJKSA-N 392.425 3.385 0 1 GGAF CCO[C@H](Cc1ccc(OCCN2CC=C(c3ccccn3)CC2)cc1)C(=O)O 40950810 FVVMWXJZHGRMHE-JOCHJYFZSA-N 396.487 3.282 0 1 GGAF O=C1C[C@@H]2c3cc(Br)ccc3CCN2C(=O)CN1Cc1ccccc1 199736515 YSWQBRJKFMGWQE-GOSISDBHSA-N 399.288 3.307 0 3 GGAF C[C@H](Oc1cc(C(=O)N[C@](C)(CC(N)=O)C2CC2)ncc1C1CC1)C(F)(F)F 146429759 VMDGWODVECVTBV-XTZNXHDOSA-N 399.413 3.063 0 1 GGAF Cc1ccc(C(=O)NCCN2CCC(n3c(O)nc4ccccc43)CC2)cc1C 95598636 YIEXBDFWBJSRFV-UHFFFAOYSA-N 392.503 3.426 0 3 GGAF O=C1CCc2cc(/C=C/C(=O)N3CC(c4nc5ccccc5s4)C3)cnc2N1 299825775 CFMULNDIVXMMNX-VMPITWQZSA-N 390.468 3.215 0 1 GGAF CC(C)CS(=O)(=O)NC1CCN(CCOc2ccccc2C(C)C)CC1 653795324 BJZKCUOPRGLYBP-UHFFFAOYSA-N 382.570 3.229 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(CC(F)F)CC2 587558222 VPWQXMUFXNOVTR-QGZVFWFLSA-N 375.371 3.454 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2nn[nH]n2)cc1 587592255 GDPWKVAIRXYCJP-FXAWDEMLSA-N 386.367 3.275 0 1 GGAF CCOC(=O)CCOCCCOCCc1nc2ccc3nc(C)ccc3c2[nH]1 587570330 VIXWRFSOWRAANY-UHFFFAOYSA-N 385.464 3.339 0 1 GGAF C[C@@]1(c2cccc(C(=O)O)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589295 ULCCBJMOXZIQLN-UTKZUKDTSA-N 377.352 3.362 0 1 GGAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(=N)[nH]cc3[nH]1)N2 587031250 MLRZZXLUSKTLPF-UWZPUTRXSA-N 386.506 3.497 0 1 GGAF Fc1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc(N2CCCC2)n1 587177535 LYMRVQHUHXBLCI-UHFFFAOYSA-N 381.455 3.196 0 1 GGAF O=C(O)c1cccc2c1CCN[C@H]2c1ccc(S(=O)(=O)c2ccccc2)cc1 963129447 FABZAPVQFRHTEQ-NRFANRHFSA-N 393.464 3.453 0 1 GGAF O=C1NC(=O)N(c2ccc(I)cc2)[C@@H]1c1ccccc1 13680091 ZGHYZBSZWYVLDL-CYBMUJFWSA-N 378.169 3.089 0 1 GGAF N[C@@H](CC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Cc1ccccc1F 14958992 SUXIJLBULPMJOM-QGZVFWFLSA-N 375.875 3.088 0 1 GGAF C[C@H]1CCCC[C@H]1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 169300741 AGWNTSAXKRGTBH-BFAVYNAKSA-N 378.472 3.307 0 1 GGAF COC(=O)c1cccc(OCc2cc(C(=O)N(C)[C@H](C)c3ccccn3)no2)c1 169341806 YWHBFBTWPNKWME-CQSZACIVSA-N 395.415 3.268 0 1 GGAF Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC3)c2n1 169704254 PKQNMQSZDCVFLD-GOSISDBHSA-N 394.454 3.196 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nccc(N(C)C)c3F)C2)cc1 169709333 IRBCKWYBGIFFEG-KBXCAEBGSA-N 386.471 3.142 0 1 GGAF COc1cccc(CN(C)c2ncnc3c2CN(c2ccc(C)cn2)CC3)c1 202608530 XYOMHKHFCZCTSZ-UHFFFAOYSA-N 375.476 3.388 0 1 GGAF COc1ccc2cc3[n+](cc2c1OC)[C@H](CC(=O)O)Cc1cc2c(cc1-3)OCO2 200346719 GIKSNPXPDFTLQO-AWEZNQCLSA-O 394.403 3.112 0 1 GGAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 100645053 WSTBUYSFCXEAIP-YUMYIRISSA-N 393.483 3.481 0 1 GGAF COc1ccc2c3c1O[C@H]1[C@@H](OC(=O)C(C)(C)C)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 103248477 TWRHEJCVAFVDGP-GAWNYLCOSA-N 383.488 3.098 0 1 GGAF COc1ccc(Cl)cc1C(=O)NC1C[C@H]2CC[C@H](C1)N2C[C@@H]1CCCO1 101444616 RIEMXJMKVGFKQM-ZACQAIPSSA-N 378.900 3.253 0 1 GGAF O=C1C[C@]2(O)c3ccccc3O[C@@H]3c4cc(O)ccc4-c4c(O)cc(O)c1c4[C@@H]32 2356375437 CJDAIJHZTKDLTJ-ZRBLBEILSA-N 388.375 3.475 0 1 GGAF O=C(CCc1cn(Cc2ccccc2)c2ccccc12)NCCN1CCOCC1 20725551 IIMFJDNJTOFKID-UHFFFAOYSA-N 391.515 3.071 0 1 GGAF CCCN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 20492414 WLDVXGQQLZAQFT-VQTJNVASSA-N 397.544 3.213 0 1 GGAF O=C(O)Cc1ccc2c(c1)C[C@@H](CCNS(=O)(=O)c1ccc(Cl)cc1)C2 27407432 ZMEQRAMMTKMWHI-AWEZNQCLSA-N 393.892 3.051 0 1 GGAF COC[C@@H](C)Oc1cc(OC(C)C)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1 38156639 MQDXDORISMQWFB-CYBMUJFWSA-N 388.420 3.233 0 1 GGAF CNCCN1CCC(c2cc(C)c3nc(-c4cccnc4OC)[nH]c3c2)CC1 45283977 KURQUYFXRUVCIU-UHFFFAOYSA-N 379.508 3.341 0 1 GGAF C/C=C(\C)C(=O)OC(C)(C)[C@@H]1Cc2cc3cc(CCCO)c(=O)oc3cc2O1 85594698 GJFRAQRTGDAKHH-LWWRIAIVSA-N 386.444 3.309 0 1 GGAF biogenic,in-vitro CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2cccnc2)CC1 199407267 PAQCPZUYAXODGH-KRWDZBQOSA-N 377.485 3.001 0 3 GGAF COCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccccc2F)n1 82152890 JVBZZPZICNKUCS-HUUCEWRRSA-N 386.471 3.459 0 1 GGAF CN(c1ncc(Cl)cn1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 145817307 VZBKYZOQPUIFQS-ZDUSSCGKSA-N 388.830 3.302 0 1 GGAF CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCOCC2)cc1 145448340 SEZDYZJXWBQCRQ-UHFFFAOYSA-N 388.533 3.370 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5cccnc54)ccc31)[C@H]1CC[C@@H](C2)N1 96175241 NSQKZIIMCZAEHA-WMLDXEAASA-N 392.484 3.114 0 1 GGAF O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 95893439 GTTYHYNLUWOOHE-VSKRKVRLSA-N 377.488 3.061 0 1 GGAF COc1ccccc1CC(=O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587931918 USMWIIYVWOFUMQ-UHFFFAOYSA-N 389.415 3.056 0 1 GGAF CCOC(=O)C(F)(F)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543912 CSDKIRYJJYOZMJ-KBXCAEBGSA-N 378.327 3.311 0 1 GGAF CCOC(=O)c1c(N)sc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587452749 PCAQZMPCXAGDRN-MPBGBICISA-N 387.457 3.487 0 1 GGAF CNS(=O)(=O)c1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587530727 DOQWIAHUKDYFSG-NRFANRHFSA-N 385.485 3.354 0 1 GGAF COc1ncnc(OC)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587776197 BVWGZKQVCIAXCR-RTHLEPHNSA-N 382.233 3.019 0 1 GGAF COCCCn1nccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587759648 LRPPZQFDFXUQCM-GTNSWQLSSA-N 382.277 3.445 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(=NC[C@H]3CCCO3)[nH]c1C)O2 587414842 WJZFIFMOOSPSDN-XCLFUZPHSA-N 387.505 3.236 0 1 GGAF COc1cc(Br)c([C@H](N)c2nc3cccc(OC)c3[nH]2)cc1OC 586975235 KGMQHJDLSLDZSX-HNNXBMFYSA-N 392.253 3.399 0 1 GGAF Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnc2nncn12 587774919 OHCSOQJTLSEAKI-XLFHBGCDSA-N 390.260 3.132 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)NC(C)(C)C)cc1)[C@@H](C2)C3=O 587427242 CQUDZIRZVHVAII-JTSKRJEESA-N 395.455 3.477 0 1 GGAF COc1cccc2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598596 YFZDZGYTIWLFPZ-VGOFRKELSA-N 389.363 3.210 0 1 GGAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 586926972 SCZHGWVMBSLPFN-UHFFFAOYSA-N 382.363 3.199 0 1 GGAF CN(C)/C=C\[C@]1(c2ccnn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581444 LGBOVNVOJHIULH-HTQRINEPSA-N 391.427 3.058 0 1 GGAF CCCN=c1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 587754161 JFPCPFQFHPQAGF-QLJPJBMISA-N 379.277 3.246 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(F)ccc(F)c12 587573243 YLQQEPSVEVKQSU-KKSFZXQISA-N 395.317 3.480 0 1 GGAF C[C@@H](Oc1cc2c(cc1Cl)N(CCC(=O)O)C(=O)CO2)c1ccccn1 1772587853 RSVWNJABIVFJRR-LLVKDONJSA-N 376.796 3.075 0 1 GGAF COc1ccc(Cl)cc1NC(=O)Nc1cncc(O[C@@H](C)CN(C)C)n1 14958152 GIAYFZLMPSVQDV-NSHDSACASA-N 379.848 3.112 0 1 GGAF in-vivo CC1(C)C(=O)N(c2cccc(S(C)(=O)=O)c2)[C@@H]1c1cccc2nccnc12 169324152 VZRJDABCMLFURD-GOSISDBHSA-N 381.457 3.147 0 1 GGAF Cc1ccc2c(c1)[C@@H]([C@]1(O)C(=O)N(Cc3ccccc3)c3ccccc31)C(=O)N2C 206045934 POLPZLJIRFYYTH-RDGATRHJSA-N 398.462 3.490 0 3 GGAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1ccc(O)c(OC)c1)CCC3 1857597782 WTEOKOMECMCFGI-SFHVURJKSA-N 396.443 3.228 0 1 GGAF COc1ccccc1N1CCN(CCCNC(=O)[C@]23C[C@H]4C[C@@H](C[C@@H]2C4)C3)CC1 1857607224 ZJOCEDFOQUAJHZ-XHOYROJHSA-N 397.563 3.150 0 1 GGAF O=C(N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnon1 1857609222 FOIJSVZJMZXIMF-UHFFFAOYSA-N 387.321 3.161 0 1 GGAF COCCNc1c(-c2ccc3nccn3c2)nc2ccc(Br)cn12 1857612450 JQKBMVLJVOMTLG-UHFFFAOYSA-N 386.253 3.470 0 1 GGAF CC=C(C)C(=O)OC(C)(C)[C@@H]1Cc2cc3cc(CCCO)c(=O)oc3cc2O1 2356312710 GJFRAQRTGDAKHH-IBGZPJMESA-N 386.444 3.309 0 1 GGAF O=C(O)CCC=CCC=CC[C@@H](O)C=CC=CC=C[C@@H](O)CC=CCCO 2356340551 RXZULUQRGUAOLG-NHCUHLMSSA-N 376.493 3.463 0 1 GGAF CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@H]2CN(Cc3ccccn3)CCN21 2356358399 OXPLZBMXGYBJIU-HXUWFJFHSA-N 398.938 3.156 0 1 GGAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1[C@H]2CCC[C@@H]1C[C@@H](C(N)=O)C2 101136198 VSBPAZLSKLWBGS-DNRSYURNSA-N 378.900 3.294 0 1 GGAF COc1ccc(CCN2C=CC=C3C2=Nc2ccccc2S(=O)(=O)N3C)cc1 28637525 KEHZZYALVPBFQV-UHFFFAOYSA-N 395.484 3.315 0 1 GGAF COc1cccc(CN2CCOC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 2356301692 CKGJJAACHPPBLO-KRWDZBQOSA-N 382.382 3.389 0 1 GGAF CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cnccc21 143724539 CIGAJYDXZXNWFE-UHFFFAOYSA-N 376.464 3.372 0 1 GGAF C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@H](c3ccccn3)C2)cc1 73224204 PSLXXKMQUAZROE-XLIONFOSSA-N 392.503 3.343 0 1 GGAF CC(C)CN1C[C@H](C(=O)NCc2cccc(C(F)(F)F)c2Cl)CC1=O 43205880 ZAKLBLDWTDQACM-GFCCVEGCSA-N 376.806 3.480 0 1 GGAF CC1=C[C@@H]([C@H]2O[C@@H]3CCCn4c([C@@H]5C[C@H](C)C(=O)O5)ccc4[C@H]3[C@@H]2C)OC1=O 238774696 JAIHEXISEDXFLY-XOYSOULYSA-N 385.460 3.265 0 1 GGAF CC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2CC1CC1 95796561 MTVJASOJIYMHQI-XZOQPEGZSA-N 394.490 3.264 0 1 GGAF C/C=C(/C)C(=O)O[C@H]1CC[C@@](C)([C@@H]2C=C[C@@](C)(O)CC2)O[C@@]1(C)COC(C)=O 238788307 OYQMZQOODNGOAA-BVKMUXDISA-N 394.508 3.473 0 1 GGAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 253638859 CODRVQGKDHKTDZ-UWHLTILDSA-N 379.456 3.438 0 1 GGAF CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NCc4ccccn4)CO[C@H]23)cc1 71405124 NWKCHIFESNJOHM-DOIPELPJSA-N 397.475 3.078 0 1 GGAF biogenic O=C1CSC[C@@H]2Nc3ccnn3[C@@H](c3ccc(F)c(Br)c3)[C@H]12 299804534 YNZQUMXEPSTFGV-CQDKDKBSSA-N 382.258 3.100 0 1 GGAF CCNC(=O)N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587764910 AKAUTTULYHFTIA-LLVKDONJSA-N 384.293 3.143 0 1 GGAF COc1ccc([C@@]2(CO)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600540 OIBRVZJKPUIHMR-DENIHFKCSA-N 378.380 3.250 0 1 GGAF COC(=O)c1cc2nc(C[C@@H]3COCCO3)[nH]c2c(F)c1Nc1ccccc1 586910895 TVMAECGHDRMRLY-CYBMUJFWSA-N 385.395 3.190 0 1 GGAF COC(=O)c1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589272 UIGALZDHNDKDMD-UZLBHIALSA-N 377.352 3.277 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CC)(C1(C(=O)OC)CCOCC1)CC2=O 587484673 HKACQCREBNCIBF-NRFANRHFSA-N 376.449 3.429 0 1 GGAF Cc1c(Br)cc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c1C 587205216 ZZZVSRAPLXBHHX-CYBMUJFWSA-N 395.301 3.021 0 1 GGAF CCCCC[C@H](O)/C=C/C=C\C=C\[C@@H](O)C/C=C\CCCC(=O)NCCO 13475548 PYFSFMSQYCMIGN-JUSPISSWSA-N 379.541 3.182 0 1 GGAF CNc1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1F 169685203 YLNAICYSCWYRTL-JTQLQIEISA-N 383.832 3.338 0 1 GGAF Cc1noc(C)c1-c1cn(C)c2cc(S(=O)(=O)Nc3ncns3)ccc12 205422368 YQWSACSHCYOHJR-UHFFFAOYSA-N 389.462 3.102 0 1 GGAF CCCN(CCCc1ccc(O)c(OC)c1)[C@H]1CCc2[nH]c(=N)sc2C1 1857591234 GKJWEBNCPUIVRF-HNNXBMFYSA-N 375.538 3.472 0 1 GGAF CCCCN=c1[nH]c(=N)[nH]c2cccc(C(=O)N[C@@H](C)c3ccccc3OC)c12 1857761216 OHLIYITXSUDQRI-AWEZNQCLSA-N 393.491 3.176 0 1 GGAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4055068 BWFNWTQSSQPUDX-INMHGKMJSA-N 378.881 3.380 0 1 GGAF O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl 4310383 SMFPZNYICPEUBM-WBVHZDCISA-N 397.233 3.333 0 1 GGAF COc1ccc(-c2cc(NC(=O)NC(C)(C)C(=O)O)c(C(=O)O)s2)cc1 103288722 XMCDRUSHIZZAME-UHFFFAOYSA-N 378.406 3.107 0 1 GGAF COc1ccc(Nc2cc(-c3cccc(O)c3)nc(N3CCOCC3)n2)cc1 64560553 BXAAXKGYDALFGB-UHFFFAOYSA-N 378.432 3.438 0 1 GGAF c1ccc(CN2C[C@H]3CN(NCC4CC4)C[C@H](C2)C32SCCS2)cc1 102082015 SKKSVFRCAAISBQ-OALUTQOASA-N 375.607 3.141 0 1 GGAF COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@H]2CC[C@H]1N2Cc1ccccc1 100645100 XYKATAPFAYNVFX-MXEMCNAFSA-N 379.456 3.438 0 1 GGAF COc1ccc(C(=O)NC(=O)Nc2cccc([C@H]3CN4CCSC4=N3)c2)cc1 29401005 ORUCJIDVVQAVNY-QGZVFWFLSA-N 396.472 3.117 0 1 GGAF COc1cc(CC[C@H](O)C[C@H](O)CCc2ccc(O)c(C)c2)cc(OC)c1O 2356393957 YSEDKGANMFJHLV-MSOLQXFVSA-N 390.476 3.101 0 1 GGAF Cc1c(CC(=O)N(C)C[C@H]2CCCN3CCCC[C@H]23)c(=O)oc2cc(O)ccc12 2356762273 KTLRVTCUNAPFBT-OXQOHEQNSA-N 398.503 3.072 0 1 GGAF CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2[C@H]1C(=O)N(CC)CC 72113286 YYMLSQOAPPIEOE-LJQANCHMSA-N 394.471 3.431 0 1 GGAF O=S(=O)(Nc1ccc([C@]23CNC[C@H]2C3)cc1)c1ccc(OC(F)(F)F)cc1 35309621 AJNRYBGLAQDAEO-DYVFJYSZSA-N 398.406 3.247 0 1 GGAF CCCC(=O)N1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218980003 FJPHWIDQZXHYGB-SRDOKRBCSA-N 398.547 3.482 0 1 GGAF COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 82088109 VOHLRVDFNVBSCY-LJQANCHMSA-N 394.427 3.138 0 1 GGAF COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3c(OC)ccc(OC)c32)c1 40898143 CMGMWEAHBPELCV-QGZVFWFLSA-N 383.400 3.089 0 1 GGAF COc1cc(C2=NN(C(C)=O)[C@@H](c3ccc(F)c(F)c3)O2)cc(OC)c1OC 40568132 DVCXRURJHYSOBH-LJQANCHMSA-N 392.358 3.230 0 1 GGAF N[C@@H]1CCc2ccc(CNS(=O)(=O)CCCF)cc2[C@H]1Cc1ccccc1 142929063 AUDHCZPXIAUFBH-NHCUHLMSSA-N 390.524 3.065 0 1 GGAF Cc1cccc(-c2n[nH]c(SCCCN3CCN(c4ccccn4)CC3)n2)c1 96934131 FJTWABZJMZVTQY-UHFFFAOYSA-N 394.548 3.480 0 1 GGAF COC(=O)c1ccnc2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12 587167691 QNZHTVLYFBBXQK-CQSZACIVSA-N 383.383 3.253 0 1 GGAF CN(c1ccc(-c2csc(-c3ccc4nonc4c3)n2)cc1)S(C)(=O)=O 587923679 DIACNPAGVSQRPN-UHFFFAOYSA-N 386.458 3.409 0 1 GGAF CCOC(=O)c1n[nH]cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587789162 AHJSTUGXWNQHHU-RTHLEPHNSA-N 382.233 3.112 0 1 GGAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(C(N)=O)c2[nH]1 587111881 FIFGMXZYTZZONV-GOSISDBHSA-N 390.365 3.080 0 1 GGAF COC(=O)CN1C=C[C@]2(NCCc3cc(C)c(F)cc32)c2ccc(OC)cc21 962089360 GPJDMAOOEPSKDI-QFIPXVFZSA-N 382.435 3.039 0 1 GGAF O=C1Nc2ccc3c(c2C1=Cc1cc2c(cc1Br)OCO2)OCO3 17417969 ZJFBACMWMSCCKF-UHFFFAOYSA-N 388.173 3.399 0 1 GGAF COc1cc([C@@H]2c3cc4c(cc3C[C@@H](C)[C@@H]2C(=O)O)OCO4)cc2c1OCO2 1772581704 GYAMRERGVQLNEY-IRKUAANASA-N 384.384 3.178 0 1 GGAF O=C1CC[C@@H](COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)N1 13610373 RKSUNQHPGFRQHL-XUJLQICISA-N 389.459 3.204 0 1 GGAF O=C(NC[C@@H]1CCOC1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166493441 UAGOLVFLAOSFHO-AWEZNQCLSA-N 383.423 3.140 0 1 GGAF O=C(Nc1ccccc1)N1CCc2c(cnn2Cc2cn(-c3ccccc3)nn2)C1 1857748476 ISYCSJBPNHLAQX-UHFFFAOYSA-N 399.458 3.102 0 1 GGAF O=C([C@@H](NS(=O)(=O)c1cccs1)c1ccccc1)N1CCc2ccccc21 4880194 QBXFTCSHSVCBIQ-IBGZPJMESA-N 398.509 3.357 0 1 GGAF COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(N)=O)c2cc1OC 29134364 DYKYNDZJFGABKQ-UHFFFAOYSA-N 381.388 3.322 0 1 GGAF NCc1ncoc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 66058819 RWGSANVCGKAHII-IBGZPJMESA-N 388.475 3.484 0 1 GGAF CC(C)CCCCCC[C@]1(O)C=C[C@H]2N(CCCCCNC(=N)N)CCCN21 2356836082 KWWMOUZIZQPDLJ-UNMCSNQZSA-N 393.620 3.229 0 1 GGAF NC1=N[C@H](c2ccccc2)NC(NCCCOc2ccc(Cl)c(Cl)c2)=N1 71281051 WARBEJVXWNKNHN-INIZCTEOSA-N 392.290 3.325 0 1 GGAF CS(=O)(=O)c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 72107703 HWBSROREOJKBSM-UHFFFAOYSA-N 376.437 3.456 0 1 GGAF Cc1ccc(NC(=O)CN2CCCN(Cc3nc4ccccc4[nH]3)CC2)cc1 49111880 SPAFHACVMYULCM-UHFFFAOYSA-N 377.492 3.018 0 1 GGAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C/c2ccccc2C(F)(F)F)C(=O)O1 45497776 WTQAZSRLPJNKJS-RUEYPURISA-N 386.366 3.356 0 1 GGAF Cc1ccc(C(=O)N[C@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1C(=O)N1CCOCC1 45300889 GFPVBTCEHMGEHJ-FHZYATBESA-N 384.520 3.412 0 1 GGAF Cc1cn2cc(C(=O)Nc3ccc(F)c([C@]4(C)CCSC(N)=N4)c3)ncc2n1 146595457 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BTWLDGZYJJJSLB-UHFFFAOYSA-N 389.765 3.302 0 1 GGAF COC(=O)[C@H]1C(C)=NC(=O)N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 169729909 VYCQJFBWIAFJKF-OALUTQOASA-N 382.416 3.289 0 1 GGAF COC(=O)[C@@H]1CC(=O)N(c2cccc(COc3ccc(C(C)=O)c(F)c3)c2)C1 26394968 ILRORFXHZRZTBP-OAHLLOKOSA-N 385.391 3.133 0 1 GGAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O 4274864 FUNHIYOIEIVJNW-HSALFYBXSA-N 385.508 3.485 0 1 GGAF COc1ccc(-c2noc(N3CCC(C(=O)N4C[C@@H](C)C[C@H](C)C4)CC3)n2)cc1 6833848 DOQQOACJDODUJH-HOTGVXAUSA-N 398.507 3.466 0 1 GGAF COCC[C@H](CC1(C(=O)NCCCc2ccc(OC)cc2)CCCC1)C(=O)O 28641316 RYJNYIUWPGRISX-GOSISDBHSA-N 391.508 3.432 0 1 GGAF Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(Cl)cc1)C1=C(O)c3ccccc3C1=N2 103523963 KOLJYFXRWSJMDF-CQSZACIVSA-N 391.814 3.276 0 1 GGAF COC(=O)c1c(C(=O)O)cc2ccc3c(c2c1-c1ccc2c(c1)OCO2)OCO3 28114928 COWNXUBPDPJUCF-UHFFFAOYSA-N 394.335 3.449 0 1 GGAF CC=C(C)C(=O)O[C@@H]1[C@@H]2[C@H](C[C@H](C)[C@@H]3[C@H](OCC)CC(=O)[C@]31C)OC(=O)[C@H]2C 2356540286 SJXBIMRKMGDJJN-QENGVNFESA-N 392.492 3.082 0 1 GGAF COC(=O)[C@H]1[C@@H]2C[C@]3(C)c4[nH]c5ccccc5c4CCN3C[C@@]2(C)CC[C@H]1O 2356551422 FLJIHEZYIPIYQV-ORNCYZNGSA-N 382.504 3.211 0 1 GGAF COc1ccc2c(c1)CN(C(=O)NCc1ccccc1)CC[C@@H]1COC(=O)N21 2356614846 KSSFTGZVGYJPEM-QGZVFWFLSA-N 381.432 3.136 0 1 GGAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)NC(=O)C21CCN(C)CC1 72181655 HLQKUQLBVLFLPP-UHFFFAOYSA-N 389.499 3.470 0 1 GGAF O=C([C@@H]1CCCO1)N1CCN(Cc2coc(-c3cccc4ccccc34)n2)CC1 72182896 WUDMZKDJCPYJKT-NRFANRHFSA-N 391.471 3.318 0 1 GGAF Cc1ccccc1N=c1[nH]c(Nc2ccc(N3CCNCC3)cn2)ncc1Cl 1911574958 QFTKYJVUSSEJCS-UHFFFAOYSA-N 395.898 3.152 0 1 GGAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(CCC(F)(F)F)C23CN(C(C)=O)C3)cc1 95794232 QBBVDGDYCPTQTE-GVKUHWBJSA-N 382.426 3.033 0 1 GGAF CCNC[C@@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H](CO)N1C(=O)C1CC1 95661502 ODVQDHSYSTVOPV-YPAWHYETSA-N 382.479 3.168 0 1 GGAF CSc1nc(-c2ccccc2)nc(Nc2ccc(CC(=O)O)cc2)c1C(N)=O 96938270 MOFKTHXHEPTNRS-UHFFFAOYSA-N 394.456 3.335 0 1 GGAF CC(=O)OC[C@]1(O)OC[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@H](O)CC[C@]54C)[C@@H]2CC[C@H]13 299850699 YXPQDCQGNXNNDX-FGDPGQTDSA-N 392.536 3.268 0 1 GGAF COc1ccc2ccc(=O)oc2c1C1=NN(C(N)=O)[C@@H](c2ccc(C)cc2)C1 299857145 CQNGDZCYZPGNLC-MRXNPFEDSA-N 377.400 3.340 0 1 GGAF C=C(C(=O)O)c1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O 587945313 KLWKSWUIVBFMDR-UHFFFAOYSA-N 393.758 3.012 0 1 GGAF COc1ccc(NC(=O)C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 587431527 GSWUSHOWQGPTAB-QRQCRPRQSA-N 397.427 3.247 0 1 GGAF CCOC(=O)CC[C@]1([C@H](C)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798599 PHGMALMSVHDPKN-PSVSLLHZSA-N 388.277 3.042 0 1 GGAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1 587203727 SCTYIBDGPLKLMA-LLVKDONJSA-N 392.774 3.193 0 1 GGAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586946374 VZSKQLNCOALRIL-UHFFFAOYSA-N 391.346 3.338 0 1 GGAF CCOC(=O)C(C)(C)[C@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962709570 QWRCLPREDCQYRB-CXAGYDPISA-N 391.361 3.248 0 1 GGAF Cc1c(CC2CCCCC2)n(COCc2ccc(F)c(F)c2)c(=O)n(O)c1=O 1772630624 IRBRBINZXUOQIP-UHFFFAOYSA-N 394.418 3.131 0 1 GGAF COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCc1ccc(C)cc1 1772617616 JKUBVOGYXZCLKG-UHFFFAOYSA-N 380.448 3.136 0 1 GGAF CO[C@H]1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1 1772641211 CYEIHAOFOUDVTB-KRWDZBQOSA-N 379.435 3.361 0 1 GGAF Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3C)C[C@@H]12 205223860 UHRDYMXNXQJWQF-NVXWUHKLSA-N 390.892 3.380 0 3 GGAF Cc1ccc(-n2cc(CC(=O)O)c3ccc(C)nc32)c(Cn2nncc2C)c1 208729931 JKVCLGBXNKAWEQ-UHFFFAOYSA-N 375.432 3.218 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1cccc([C@@H](C)N3CCOCC3)c1)C2 28343668 WBDGFMXZQCHZPG-QRQCRPRQSA-N 397.471 3.283 0 1 GGAF Cc1cnn(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)c1 103242927 GPIUKGPEECRBNX-UHFFFAOYSA-N 378.455 3.141 0 1 GGAF CCCCCCC(=O)OC[C@@]1(CO)C/C(=C/c2ccc(OC)cc2)C(=O)O1 40393541 SXZVJRVGVPLAQS-ZIBIDDQLSA-N 376.449 3.270 0 1 GGAF Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCCC3)ccc1C2=O 49087510 DWAWMNJZTVBRAL-UHFFFAOYSA-N 386.455 3.412 0 1 GGAF CNC(=O)CN1CCC(c2cc3c(-c4cc(F)ccc4OC)ccnc3[nH]2)CC1 226055639 IPFRWWMVNGTZLS-UHFFFAOYSA-N 396.466 3.303 0 1 GGAF CN1C[C@H](c2cncn2C)[C@@H]([C@H](OC(=O)c2ccccc2)c2ccccc2)C1=O 85944591 IBZKJMVCDSSXRB-HLAWJBBLSA-N 389.455 3.190 0 1 GGAF Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)NCc3ccco3)co2)cc1 82072728 RTDLPFNFYZFRFI-SFHVURJKSA-N 379.416 3.164 0 1 GGAF O=C(O)c1cnc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)cn1 95557531 SRVGYNGNZUNUAE-LBPRGKRZSA-N 397.357 3.150 0 1 GGAF OCCCNc1nccc(NCCCNc2ccnc3cc(Cl)ccc23)n1 653861150 MZKOJAIKJKJDHW-UHFFFAOYSA-N 386.887 3.387 0 1 GGAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(N)c(N)cc2[nH]1 586934763 ATKSXTCKKHHTDS-INIZCTEOSA-N 393.900 3.056 0 1 GGAF CCOC(=O)/C(=C\N(C)C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587742370 QXZKPKXTNADFJU-XZXUTIKLSA-N 399.304 3.346 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1 586897146 SDTIWUJLXIXRRJ-UHFFFAOYSA-N 385.489 3.379 0 1 GGAF COc1cncc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587002914 HYOFYMOOZDTNAL-VIFPVBQESA-N 388.221 3.364 0 1 GGAF CC(C)(C)OC(=O)N(Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)C[C@H]1CCCO1 587197152 KHKYAIYBLWQDSP-DYVFJYSZSA-N 389.456 3.203 0 1 GGAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(C(N)=O)cc3[nH]2)c1 587202262 CWMAUHQTRVETAC-UHFFFAOYSA-N 379.420 3.179 0 1 GGAF CC(C)(CO)[C@@H](O)c1nc2c(Br)ccc(Br)c2[nH]1 586905025 XIZPCBIVKKYVSP-JTQLQIEISA-N 378.064 3.140 0 1 GGAF Cn1nc(C(=O)O)c2c1Cc1c(nc3ccc(O)c4c3c1-c1ccccc1C4=O)C2 586987686 QKYDVXSJCFVEDB-UHFFFAOYSA-N 397.390 3.079 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)N(C)C)[nH]2)N1 587788810 ADXKCMRMKBCJOT-XXFAHNHDSA-N 380.261 3.242 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccnc(OC)c1)CC2=O 587487749 NQLWISAASSWEJQ-NRFANRHFSA-N 385.416 3.474 0 1 GGAF CSc1ncc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=N)[nH]1 587845103 MVYQMWMVCNTJJC-PWJLMRLQSA-N 397.317 3.310 0 1 GGAF COc1cc2c(cc1OC)[C@@](CC(=O)C(=O)O)(c1ccc(C)cc1)N(C)[C@H](C)C2 962570130 NKNYJLSFMHRTOT-IQMFZBJNSA-N 397.471 3.176 0 1 GGAF CC1([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)COCOC1 962927502 VRJBOCXMWIXUMR-UGKGYDQZSA-N 399.443 3.009 0 1 GGAF COC[C@@]12C[C@@H](CC1=O)[C@@H]1[C@@H]2ON2c3ccccc3C(=O)[C@]12c1ccccc1 5843224 FLDNSLQVGNOXOV-XGNTUUPJSA-N 375.424 3.140 0 1 GGAF Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3 12356268 LCGBVEYGRZPQEM-ICSRJNTNSA-N 377.488 3.302 0 1 GGAF COc1ccc([C@@]23OC[C@@]24[C@H]2[C@@H](OC[C@H]24)c2cc(OC)c(OC)cc23)cc1OC 169301369 QNMXTGTWSBDJKC-PZTYSZJPSA-N 396.439 3.312 0 1 GGAF COC1CCC2(CC1)Cc1ccc(-c3cncs3)cc1[C@]21N=C(N)N(C)O1 201241514 FDOCGVFEEQBHAL-RGKRWLCDSA-N 384.505 3.286 0 1 GGAF Nc1nnc(-c2ccc3[nH]cc(-c4cccc(N5CCCC5=O)n4)c3c2)s1 204759646 OZGYSJHDOKWOOY-UHFFFAOYSA-N 376.445 3.457 0 1 GGAF Nc1ncc(-c2ccc(CN3CCCCC3)s2)nc1C(=O)Nc1ccncc1 205504477 VWYUAZMGQGZOBN-UHFFFAOYSA-N 394.504 3.421 0 1 GGAF COc1ccccc1CC(=O)N1N=C(c2cccc(C)c2)C[C@]1(O)C(F)(F)F 1857637021 LNSQNGROWRMEAP-IBGZPJMESA-N 392.377 3.434 0 1 GGAF O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1)N1CCOCC1 4077472 OQEKELFQJCYOAC-NVXWUHKLSA-N 376.865 3.352 0 1 GGAF COc1ccc([C@H]2C(C(=O)N(C)C)=C(C)N=C3Nc4ccccc4N32)cc1OC 4684698 CGXLLWGXDFICIA-FQEVSTJZSA-N 392.459 3.409 0 1 GGAF CC(=O)Nc1ccc(-c2nnc3n(CC(C)C)c(=O)c4ccccc4n23)cc1 6781302 CEEKQKKPQZZONQ-UHFFFAOYSA-N 375.432 3.326 0 1 GGAF CC[C@H]1CCCCN1CCCNC(=O)Cn1c(=O)c2cccn2c2ccccc21 6782335 IIGVEYISHHMKCX-SFHVURJKSA-N 394.519 3.025 0 3 GGAF CC(C)N1CCCN(C(=O)C2CC3(CCN(C(=O)c4ccccc4)CC3)C2)CC1 103243072 PZZSPGREAYQNQO-UHFFFAOYSA-N 397.563 3.262 0 1 GGAF CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Cl)c1Br 64454446 NZMXNCUJPVJYBC-JTQLQIEISA-N 375.694 3.325 0 1 GGAF Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CN)c12 118758673 SXTBJNZUJNVTHC-QMMMGPOBSA-N 376.413 3.307 0 1 GGAF CC[C@]12CCCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1cc(OC)c(O)cc14)[C@@H]32 2356687005 ZURZSBHWLYFFBR-FDFHNCONSA-N 384.476 3.159 0 1 GGAF COc1cccc([C@H]2[C@@H](C(N)=O)C(C)=Nc3nc(-c4cccc(Cl)c4)nn32)c1 61868525 HILWEQMRKJRWJY-IRXDYDNUSA-N 395.850 3.404 0 1 GGAF CC(C)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](C)N2 82207200 CBQRIOOCLYIEFB-NSHDSACASA-N 397.306 3.247 0 1 GGAF COc1cccc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)c1 220718725 NTYCQRSCQKAIKY-QFIPXVFZSA-N 380.444 3.090 0 1 GGAF CC(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@@H]2[C@@H]3O[C@@H](C[C@@](C)(O)CCC[C@]3(C)O)[C@@H]21 238761270 BLMRZMAUEMLTCH-JOFXYRRGSA-N 382.541 3.450 0 1 GGAF COc1ccc(-c2c(C)nn3c(NCCOC(C)=O)cc(C)nc23)cc1OC 299859199 FKUYPWIYULBYKU-UHFFFAOYSA-N 384.436 3.005 0 1 GGAF Oc1ncnc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 587090968 CUULAKSQDGPCAI-UHFFFAOYSA-N 379.220 3.080 0 1 GGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c(Br)ccnc2[nH]1 587194627 WMNGXTWQQOJTEE-NSHDSACASA-N 398.305 3.238 0 1 GGAF CCOC(=O)N1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342531 FIYXDCHWKPJUGM-GHTZIAJQSA-N 385.391 3.491 0 1 GGAF COC(=O)c1ccnc2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc12 587074060 QFXWRKAWIPZQAG-UHFFFAOYSA-N 382.811 3.013 0 1 GGAF C[C@]1(c2ccc(C(=O)O)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585801 GLUUCSVUGNAAFZ-DYESRHJHSA-N 377.352 3.362 0 1 GGAF c1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(OCc2cscn2)c1 587029215 LGHYMFHCGGLUDZ-UHFFFAOYSA-N 375.417 3.241 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2ccc(=O)n3C)N1 587770790 QXLNDDDQSMNIPE-NSPYISDASA-N 391.284 3.401 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cn1cncn1)C1(Cl)CC1 587547500 SYTAYGNZMCELSG-UZLBHIALSA-N 397.818 3.156 0 1 GGAF CCOC(=O)[C@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587765 HPVGKVBNCUOHLJ-LAUBAEHRSA-N 379.368 3.141 0 1 GGAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc(N(C)C)n1 587754535 KLACRFNUYKUZDY-FVMDXXJSSA-N 379.277 3.376 0 1 GGAF O=C(c1cn2cc(C(F)(F)F)ccc2n1)n1ncc2ccc(Cl)cc2c1=O 587652222 YPPSGSBGHGCJRW-UHFFFAOYSA-N 392.724 3.405 0 1 GGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1nnn(-c2ccccc2)c1C 963586277 VDFRMWKLRDNWOC-RCDICMHDSA-N 378.476 3.391 0 1 GGAF CC1(C)[C@H]2C[C@H]1[C@@](C)(O)[C@]1(C2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962647642 YEGADIYPSMZPBP-JCKDKFELSA-N 399.409 3.196 0 1 GGAF OCC1(CCOc2ccccc2)CCN(Cc2cccn2-c2ncccn2)CC1 12596342 PAIZSLRZNHRMEJ-UHFFFAOYSA-N 392.503 3.311 0 3 GGAF O=C(Nc1ccccc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 169303516 MNPKRGHVMCTCKN-SQDPYLFBSA-N 384.435 3.496 0 1 GGAF COc1cccc2c1nc(CCn1c(=O)n(C)c3cccnc31)n2-c1ccccc1 169349810 NJWBURLDPPBZRK-UHFFFAOYSA-N 399.454 3.325 0 1 GGAF O=C(N[C@H]1CCCOC1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 167854488 BVLMTWMCKWSCKU-IBGZPJMESA-N 383.423 3.282 0 1 GGAF CC(C)COc1ncc(-c2ccc(C(=O)NS(C)(=O)=O)cc2)cc1Cl 584592226 NDCGLCOJCCYECT-UHFFFAOYSA-N 382.869 3.126 0 1 GGAF Cc1ncc2c(c1-c1noc(-c3cccn3C)n1)CCN(Cc1ccncc1)C2 23231279 ZOUOVKUENWCRPT-UHFFFAOYSA-N 386.459 3.399 0 1 GGAF COc1cc([C@@H]2/C(=C(\O)OC(C)C)C(C)=Nc3nc(O)nc(O)c32)ccc1O 101732679 RNXMOROYCANKTQ-QFGUUYLXSA-N 387.392 3.035 0 1 GGAF COc1cccc([C@@H]2/C(=C(\O)OCCC(C)C)C(C)=Nc3nnnn32)c1OC 103531800 KGNMFMDZCIROGZ-YWJBVVMDSA-N 387.440 3.218 0 1 GGAF NC(=O)C1CCN(c2c(C(=O)c3ccccc3)cnc3ccc(F)cc23)CC1 20380662 OZMRPPVLLJYBKA-UHFFFAOYSA-N 377.419 3.307 0 1 GGAF NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2F)cc1 114361949 GLXGGCNHVXMWIX-UHFFFAOYSA-N 377.319 3.136 0 1 GGAF CC(=O)OCC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 2507955 DOETVHHSMBAUKN-YRPZOVBESA-N 386.488 3.446 0 1 GGAF biogenic O=C(Cn1cc(-c2nc(-c3ccccc3)no2)c2ccccc21)N1CCOCC1 40391825 ZWHZTMGUMLJXOF-UHFFFAOYSA-N 388.427 3.217 0 1 GGAF COc1cc2c(cc1OC)[C@H](CO)N(C(=O)c1cccc(C(F)(F)F)c1)CC2 1911578960 BRZKARWMDRWMNO-INIZCTEOSA-N 395.377 3.455 0 1 GGAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC[C@H]3C(=O)O[C@H]4O[C@@H](O)[C@]21[C@H]43 145315419 SJUIUZNWNSLYJG-URHQRGLQSA-N 392.492 3.015 0 1 GGAF COCCCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccc1 95588743 RLKCLMRRCSCPQW-FCHUYYIVSA-N 398.547 3.026 0 1 GGAF CC(C)C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C)c1ccccc1 618013608 VXCUNEZHDQNNQC-NTPMHYTDSA-N 394.519 3.098 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(N)cnn1CC 587865857 MCQPKQAFHFSLKS-UHFFFAOYSA-N 393.369 3.455 0 1 GGAF Clc1ncc2nc(CCn3ncc4cc(Br)ccc43)nc-2[nH]1 587002096 INWOYVIAZAAOOF-UHFFFAOYSA-N 377.633 3.313 0 1 GGAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(O)ncnc3[nH]2)c(C2CC2)n1 587232673 YXRLPSUNEZRFPS-UHFFFAOYSA-N 382.424 3.023 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccnn2C)N1 587760080 NYWWZHVKJDCYGW-QZQWMFAZSA-N 393.304 3.175 0 1 GGAF CCOC(=O)c1nnn(-c2c(C)[nH]c3c(C)cc(Cl)cc23)c1C(=O)OCC 587627123 ONWKBTSGJBJFDW-UHFFFAOYSA-N 390.827 3.372 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(C(C)(C)C)N1 587845509 BAOQTWBGENGMSB-MGPLVRAMSA-N 392.334 3.408 0 1 GGAF CC[C@H](C)n1ncc(I)c1-c1nc2cnc(OC)cc2[nH]1 587181176 OAXVFECOXQALLK-QMMMGPOBSA-N 397.220 3.406 0 1 GGAF Cc1ccc(S(=O)(=O)NNC2=CCc3c(nc4cccc5c4c3CC5)C2)cc1 587216775 LSFWXKFDHLDDSQ-UHFFFAOYSA-N 391.496 3.107 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1CCN(c2ncccn2)CC1 587871809 DOLPLMVVHNKQOC-UHFFFAOYSA-N 395.438 3.435 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)CCC(=O)O)cc1)O2 587389349 JZMOEPRWWOBEOM-OAQYLSRUSA-N 382.416 3.261 0 1 GGAF CCOC(=O)[C@@H]1CSC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587859665 YCTOQVBFTKTWOS-RBIVETJNSA-N 388.302 3.244 0 1 GGAF Nc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1N 587018772 OPJSJWUDENECLI-UHFFFAOYSA-N 379.445 3.213 0 1 GGAF CS(=O)(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c1 587109952 YCJAQOLOYBCVIC-UHFFFAOYSA-N 384.335 3.350 0 1 GGAF COc1cc2c(cc1OC)C1(C=CN(c3ccc(N)cn3)C=C1)N(C)[C@H](C)C2 962625667 JQRJMBLQDCSTMU-OAHLLOKOSA-N 378.476 3.300 0 1 GGAF O=C(NCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1772579253 HXVZVRCGHDRUMW-UHFFFAOYSA-N 375.407 3.305 0 1 GGAF COc1c2c(c(CC=C(C)C)c(OC(C)=O)c1C(C)=O)O[C@H](C(C)(C)O)C2 1772601391 IQYVWZHTWWFVDA-INIZCTEOSA-N 376.449 3.406 0 1 GGAF CCCCOC(=O)CNc1nc(Nc2ccc(F)c(F)c2)nc2c1cnn2C 1772645895 VUXOHZXRHAZKLA-UHFFFAOYSA-N 390.394 3.140 0 1 GGAF CC(=O)NCCC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 11771858 BLNSLVQQGICVBF-OAQYLSRUSA-N 378.472 3.301 0 1 GGAF CCCn1cc2c(nc(NC(=O)NC(C)(C)C)n3nc(-c4ccco4)nc23)n1 13672058 BBFOWCHNGVHIHK-UHFFFAOYSA-N 382.428 3.064 0 1 GGAF Nc1nc2ccc(C(=O)c3c(F)cccc3F)cn2c1C(=O)c1ccncc1 14945553 QIVDJZPAORKXAY-UHFFFAOYSA-N 378.338 3.052 0 1 GGAF O=C(C[C@@H]1CCCO1)Nc1ccc(NC(=O)N2Cc3ccc(CO)cc3C2)cc1 166367570 JEHFQEOLSATJNE-FQEVSTJZSA-N 395.459 3.234 0 1 GGAF COc1cccc(CCN=c2[nH]c(N3CCCC[C@H]3CO)nc3ccccc23)c1 1857557286 KRZVBFJGAJUYSU-SFHVURJKSA-N 392.503 3.066 0 1 GGAF Cc1ccc(-c2ccnc3ccc(-c4cccc(S(N)(=O)=O)c4)nc23)cn1 1857750602 CNHRCWYTYZDOOW-UHFFFAOYSA-N 376.441 3.315 0 1 GGAF O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl 4206698 QNMMYHUVXXXBJI-RDJZCZTQSA-N 397.233 3.333 0 1 GGAF COc1ccc(Br)c(CCNCCCN(C)C)c1Br 103269916 LYOAKAMNKKUORK-UHFFFAOYSA-N 394.151 3.304 0 1 GGAF CCc1nc(N)nc(N)c1-c1ccc2[nH]c(-c3ccc(Cl)cc3)[n+]([O-])c2c1 101019770 KOENQQDOQRQHOL-UHFFFAOYSA-N 380.839 3.306 0 1 GGAF O=C(Nc1cccnn1)N1CCN(c2cccc(-c3ccc(F)cc3F)n2)CC1 103267354 UFSFJVKLXZGMBJ-UHFFFAOYSA-N 396.401 3.171 0 1 GGAF O=C1Nc2c(Cl)ccc(OCCCS(=O)(=O)O)c2C2(CCCCC2)N1 28380245 MZDYWLVQWRQFMV-UHFFFAOYSA-N 388.873 3.291 0 1 GGAF CCC=CC[C@H](O)C=CC=CC[C@H](O)C=CC=CC=C[C@@H](O)CCC(=O)O 2356759720 QBTJOLCUKWLTIC-PWRODBHTSA-N 376.493 3.461 0 1 GGAF O=C(OCCc1ccccn1)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085538 DMRYTTXZCFJRBH-MRXNPFEDSA-N 397.456 3.189 0 1 GGAF O=C(CCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)NO 144147252 UNKXWVVNZUIYBL-UHFFFAOYSA-N 376.775 3.440 0 1 GGAF O=C(NCc1cccc(OC(F)F)c1)Nc1ccc([C@@H]2CNCCO2)cc1F 149888128 QWRFRBFGFHDFNT-KRWDZBQOSA-N 395.381 3.410 0 1 GGAF CCc1csc(N2[C@H](CO)[C@H](c3ccccc3)[C@@H]2CN(C)C(=O)C2CCC2)n1 95871668 QVMGKRMPHNYYOJ-XUVXKRRUSA-N 399.560 3.297 0 1 GGAF CCNC(=O)Nc1cc2c(-c3ccncc3)ccc(CNC(=O)OC)c2cn1 147476691 VDHPALLDAXGKLM-UHFFFAOYSA-N 379.420 3.294 0 1 GGAF CN(C(=O)Cc1nn(C)c(=O)c2ccccc12)c1nc(-c2ccccc2)cs1 96930071 NYKJZOSJVQUQAF-UHFFFAOYSA-N 390.468 3.263 0 1 GGAF COc1ccc([C@H]2CC(c3ccco3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 653809957 BPTNUDPRRBPHRO-LJQANCHMSA-N 397.456 3.291 0 1 GGAF O=C(OCCOC12CC3CC(CC(C3)C1)C2)c1cc(N(O)[C@@H]2CCCO2)on1 653782787 ZZEQQLFUXTXKIT-SOZFHFLDSA-N 392.452 3.149 0 1 GGAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ncc[nH]c-3n2)c1 587049355 HDOUAEHMXHHMSW-VOTSOKGWSA-N 384.827 3.348 0 1 GGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(C(=O)O)cc4[nH]3)cc12 587038380 SEYTUZGEHBFSLS-SECBINFHSA-N 383.433 3.009 0 1 GGAF CN(C)C(=O)c1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 587132133 KRENYLJGJQNAJZ-GFCCVEGCSA-N 394.422 3.234 0 1 GGAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(S)nc(S)nc2[nH]1 587166902 DDWMPAVTQOAGBG-SNVBAGLBSA-N 390.469 3.438 0 1 GGAF O=C(NC1CC1)c1cc(F)c(-n2ncc3ccc(Cl)cc3c2=O)c(F)c1 587652158 XKFONQBMWNHJKG-UHFFFAOYSA-N 375.762 3.210 0 1 GGAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(N)ncnc3[nH]1)N2 587032273 SIKHDSRJHPGFJW-SXPLAPADSA-N 387.494 3.062 0 1 GGAF Cc1ccc(NC(=O)CSCCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 586970173 HQDMHOKXPXKPMN-UHFFFAOYSA-N 396.472 3.117 0 1 GGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(O)c(F)c2F)N1 962959137 DZBXPZVCWVTAHF-BJOHPYRUSA-N 375.705 3.290 0 1 GGAF COC(=O)c1ccccc1[C@@]1(C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962730216 MJYZLOUSGYCVRZ-LPHOPBHVSA-N 377.362 3.382 0 1 GGAF CSc1ncc([C@]2(C)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)[nH]1 962716024 QBZPCQZPTLLUMN-IAQYHMDHSA-N 389.374 3.152 0 1 GGAF COCCCCn1cc([C@@H](C)N(C(=O)[C@@H]2CCNC2)C2CC2)c2ccc(C)nc21 1772593800 HSKVJYZVNXEPBI-QZTJIDSGSA-N 398.551 3.433 0 1 GGAF O=C(NCc1ccc(NS(=O)(=O)C2CCCC2)cc1)c1cc2cnccc2[nH]1 1772655569 OMXUTMOTZCFLDJ-UHFFFAOYSA-N 398.488 3.177 0 1 GGAF O=C(NCCOc1ccccc1F)[C@H]1CCC(=O)N(CC2CCCCC2)C1 11874812 LJYOMRPQMAOSBH-KRWDZBQOSA-N 376.472 3.140 0 3 GGAF Cc1noc(-c2nnc3c4c(c(OCc5cccnc5)nn23)C2CCC4CC2)n1 13580801 ZDLKXIOQJJRYCW-UHFFFAOYSA-N 389.419 3.212 0 1 GGAF O=C(CN1Cc2ccccc2O[C@@H](c2ccsc2)C1)NCc1cccnc1 14973419 IKKACGJUZKEWRD-HXUWFJFHSA-N 379.485 3.395 0 1 GGAF CCCc1cc(O)n2nc(NCc3cc(Br)ccc3OC)nc2n1 15668962 IRFBQPMWOVGWGZ-UHFFFAOYSA-N 392.257 3.166 0 1 GGAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(-n2cccn2)n1 167857333 CMOIZFQRFFEJJY-DOTOQJQBSA-N 392.459 3.394 0 1 GGAF NC[C@@H]1C[C@@H]1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 1857748617 ZKWKKAVOVBLNQA-AFXVXQJMSA-N 376.548 3.070 0 1 GGAF Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)N(C)C)c3nnnn3c12 1376781 FAWVCGZLTKPQNN-UHFFFAOYSA-N 392.438 3.409 0 3 GGAF CCOC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CC2)CC1=O 101345526 OMQFDHLDCXPTBM-ZGDJDIHISA-N 397.515 3.132 0 1 GGAF C[C@@H](CSC(=O)c1ccccc1)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 28096985 XPHRQXQATAKGTE-HJWJTTGWSA-N 375.490 3.440 0 1 GGAF O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)/C=C/c1ccccc1 28476677 NCYNQOQBTJWGRT-QTPCLBGGSA-N 386.488 3.176 0 1 GGAF CCC(CC)Oc1cc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 28569779 YBBVXYGZXGGLLE-UHFFFAOYSA-N 377.388 3.257 0 1 GGAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CO)cc2)cc1 40421477 PZGLSVDHBUNPKY-UHFFFAOYSA-N 396.390 3.454 0 1 GGAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1 82214908 OVGKPKKNDKYSPZ-KXBFYZLASA-N 398.482 3.428 0 1 GGAF Cc1cccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1 138907526 RFMRGEGEHMGZBG-IAGOWNOFSA-N 377.448 3.043 0 1 GGAF Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCC(N)CC3)cc2F)cn1 224830427 HAPNWIFRIDARIN-UHFFFAOYSA-N 391.450 3.095 0 1 GGAF O=C(c1ccc(C2CC2)c(OCC2CC2)n1)N1CC[C@@H]([C@H](O)C(F)(F)F)C1 146448649 UPFRRDUBZREZMS-CJNGLKHVSA-N 384.398 3.133 0 1 GGAF COc1ccc(Nc2nc(-c3ccccn3)cc(N3CCC[C@H](O)C3)n2)cc1 230560617 XWECTRWEVZKUOF-INIZCTEOSA-N 377.448 3.252 0 1 GGAF CO[C@H](C)c1cn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1 149107986 DQOISLJJQCLDRI-CQSZACIVSA-N 376.460 3.154 0 1 GGAF COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc(SC)cc2)c1=O 25416688 MOJORYQGUSRLJX-WBVHZDCISA-N 398.528 3.219 0 1 GGAF biogenic COc1cccc(C2=NCC(=O)N3CCc4c(cccc4C(C)(C)O)C3=C2)c1 149165007 TVHHSACXCLHCRT-UHFFFAOYSA-N 376.456 3.151 0 1 GGAF Nc1ncnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CC2 254142519 DVHSQIPHRVBFFO-HDJSIYSDSA-N 380.448 3.010 0 1 GGAF COc1ccnc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 473104208 OSECFWDEDLOCNT-CYBMUJFWSA-N 382.395 3.226 0 1 GGAF CC1(C)OC(C(=O)O)=C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352223 KKVCALPXTYAZRC-UTKZUKDTSA-N 384.359 3.406 0 1 GGAF CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 587234295 DVVVDGJYBDKPOH-HUUCEWRRSA-N 389.415 3.138 0 1 GGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(=O)OC)cccc3[nH]2)cc1 586939905 TZXGCWVUHAZBFB-LBPRGKRZSA-N 387.461 3.093 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCCC(=O)O)cc1OC)[C@@H](C2)C3=O 587441337 KBGTYJJYHSYNHV-AOMKIAJQSA-N 398.411 3.436 0 1 GGAF CCS(=O)(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587174853 MXZKRSQCDUSMOW-OAHLLOKOSA-N 386.452 3.219 0 1 GGAF CC1=C(c2ccc3nc(/C=C\C(=O)Nc4ccc(F)cc4)[nH]c3c2)NNC(=O)C1 587167389 SERWSHSDFRPLMQ-HJWRWDBZSA-N 391.406 3.109 0 1 GGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)cc1 586939732 SDZVDPDCKYJNTG-SNVBAGLBSA-N 391.424 3.144 0 1 GGAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc3nonc3c2)N1 962707643 XXBLTFJEHJZUDS-LSDHHAIUSA-N 381.285 3.069 0 1 GGAF Cc1nonc1[C@@H]1CCCN1C(=O)c1cc(COc2ccc(F)cc2F)on1 13593758 IZHLWSPPQOOUAR-HNNXBMFYSA-N 390.346 3.201 0 3 GGAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](O)[C@H](C)[C@@]2(C)CC/C(C)=C/C(=O)OC[C@H](O)CO 205527435 CDDTUFYDAJIDKP-NGONRVOFSA-N 394.552 3.379 0 1 GGAF CN(C)CCCNc1ccc2c(O)nc(/C=C3\C(=O)Nc4ccccc43)nc2c1 1857639635 WSHDFXRLKMZRFZ-LGMDPLHJSA-N 389.459 3.192 0 1 GGAF NS(=O)(=O)c1ccc(-c2coc(=O)n2-c2ccc(Cl)c(Cl)c2)cc1 1487301 ADKQVMYWICSUOZ-UHFFFAOYSA-N 385.228 3.052 0 1 GGAF CCOC(=O)C1=C(c2ccccc2)NC(=O)N(C(C)=O)[C@H]1c1ccccc1F 3035122 UYLUPJGRVGOISX-IBGZPJMESA-N 382.391 3.413 0 1 GGAF O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1)N1CCOCC1 4077475 OQEKELFQJCYOAC-WBVHZDCISA-N 376.865 3.352 0 1 GGAF COc1ccc2c(c1OC)C(=O)OC2=Cc1cc2c(cc1CCN(C)C)OCO2 2356574987 WKXVSXLPAVDRQX-UHFFFAOYSA-N 397.427 3.205 0 1 GGAF CC1CCN(CC(=O)N2c3ccccc3N(C)S(=O)(=O)c3ccccc32)CC1 28766976 DVDQRHYMKUCYBJ-UHFFFAOYSA-N 399.516 3.222 0 1 GGAF NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2sccc2Cl)nc1 199000219 FMPKVOBWFAMKHA-INIZCTEOSA-N 385.876 3.290 0 1 GGAF c1ccc(CO[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3Nc2nccc(-c3cccs3)n2)cc1 25434225 AZKIQFCMNYTTMH-HNBVOPMISA-N 395.484 3.369 0 1 GGAF biogenic CC1(c2cc(-c3cnc(NC(=O)N4CCC[C@@]4(C)C(N)=O)s3)ccn2)CC1 98194508 SJNBGXFIKPBZKA-IBGZPJMESA-N 385.493 3.128 0 1 GGAF O=c1[nH]c(-c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)cs1 95605252 OYUKKBWJDOJRBQ-UHFFFAOYSA-N 383.454 3.452 0 1 GGAF CCOC(=O)[C@]1(C(=O)Nc2ccccc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 95595929 FGCWQNPPQKMFQX-KSFYIVLOSA-N 399.443 3.388 0 1 GGAF COc1ccc(OC)c(/C=C/NC(=O)c2cc(O)c3cccc(OC)c3n2)c1 473117845 IXPSAILMFIRWHR-MDZDMXLPSA-N 380.400 3.367 0 1 GGAF CCNc1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 653859633 BDYWFVXKSYJXAM-UHFFFAOYSA-N 390.443 3.444 0 1 GGAF C=C1C=C(C)N2NC([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)=NC2=N1 587796229 PQOFYUZQGDJXCW-RFAUZJTJSA-N 390.260 3.169 0 1 GGAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2nc(Cl)c[nH]c-2n1 587198425 JURQIXAYRPIEES-UHFFFAOYSA-N 378.823 3.484 0 1 GGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 587229370 ANGMODPPNSOLMH-OLZOCXBDSA-N 393.871 3.039 0 1 GGAF N=c1cc[nH]cc1-c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587249909 RQIWKKWHWYGQEU-UHFFFAOYSA-N 399.863 3.492 0 1 GGAF CCOC(=O)c1nocc1[C@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 587396061 WMWJBMDFVGQHGG-NRFANRHFSA-N 393.399 3.046 0 1 GGAF Nc1ccc(C(=O)CCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587252132 XBODPNNKGLYEAK-UHFFFAOYSA-N 388.431 3.020 0 1 GGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(F)cnc(Cl)c3[nH]2)cc1 586940552 AEABYFXYALWGIN-VOTSOKGWSA-N 380.832 3.149 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OC[C@H]3CCCO3)c2cn1)c1ccccc1 1772633053 YTPKUXFJEQBLBF-UKRRQHHQSA-N 381.436 3.398 0 1 GGAF Cc1nc(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=N)[C@](C)(F)CC3(F)F)c2)no1 1772648013 WMKOPKSKWBVFKU-HZPDHXFCSA-N 399.348 3.319 0 1 GGAF CS(=O)(=O)c1ccc(-c2cc3c(cc2C(=O)c2cccnc2)OCO3)cc1 13530465 BZQRIXLRHUJLQX-UHFFFAOYSA-N 381.409 3.112 0 1 GGAF CSc1nc(N2CCN(CCC[C@H](O)c3ccc(F)cc3)CC2)ncc1F 13730879 UOPZCHLWGQQVGX-KRWDZBQOSA-N 394.491 3.113 0 1 GGAF C[C@@H]1SCN(CCCCN2CCN(c3nsc4ccccc34)CC2)C1=O 13759373 QMGPSYFJSYOZRC-HNNXBMFYSA-N 390.578 3.120 0 1 GGAF O=C1Cc2c([nH]c3ccc(I)cc23)-c2cccnc2N1 169349959 VRSTVDLQULQHMV-UHFFFAOYSA-N 375.169 3.329 0 1 GGAF CC(=O)N1CCC[C@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201103477 YMHHOMWYJPBNDD-YBVWCTEOSA-N 384.520 3.092 0 1 GGAF N=c1ncc2cc(-c3c(Cl)cccc3Cl)c(N3CC[C@@H](CN)C3)nc2[nH]1 1857558518 ANABJNVAYVFJHB-JTQLQIEISA-N 389.290 3.196 0 1 GGAF Cc1cn(C23CC(N=c4nc5n([nH]4)CCCC[C@@H]5c4ccc(F)cc4)(C2)C3)cn1 1857577031 ZALNMHMJXFINHH-OSFYOIPJSA-N 392.482 3.404 0 1 GGAF N=c1[nH]cnc2c3c(n(-c4ccc(CC(=O)NC5CCCCC5)cc4)c12)CCC3 1857593629 VGTVHHLVJCNFPB-UHFFFAOYSA-N 389.503 3.313 0 1 GGAF O=P(O)(O)C(F)(F)c1ccc2ccc(C(F)(F)P(=O)(O)O)cc2c1 2043452 VHKBLEYUHBIBNR-UHFFFAOYSA-N 388.146 3.294 0 1 GGAF in-vivo CCc1ccc([C@H]2CN3C(=O)CN(C)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1 2131873 SHILCYCHILJWKF-HOYKHHGWSA-N 387.483 3.392 0 1 GGAF biogenic COc1cc(/C=C(/Oc2ccc(/C=C\C(=O)O)cc2OC)C(=O)O)ccc1O 13458702 GGCXWTMEZZGUFT-WBZVOSOQSA-N 386.356 3.012 0 1 GGAF O=C(CCNC(=O)c1ccccc1)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28379799 IZABDGKTROMFFY-HXUWFJFHSA-N 399.922 3.241 0 1 GGAF COc1cc(Nc2ncccc2-c2n[nH]c(N(C)[C@@H]3CCCO3)n2)cc(OC)c1 28530031 LIYXRWKGOMEGCF-KRWDZBQOSA-N 396.451 3.200 0 1 GGAF O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(F)cc2N1 29252118 UATKEUZQSUHYAC-UHFFFAOYSA-N 396.491 3.295 0 1 GGAF CCOC(=O)C1=C(Nc2ccc(OC)cc2)N=C(c2ccccc2)N2CCN=C12 45283696 KBWUWKNYKAKGCY-UHFFFAOYSA-N 390.443 3.056 0 1 GGAF CCCCCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O 45385106 DLGHFNICDYSUEA-UHFFFAOYSA-N 398.488 3.370 0 1 GGAF CC(=O)Nc1cccc(-c2cccc([C@@H]3C[C@H]3[C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1 96933723 ULWMOJJBDFGCHT-MZKRTTBSSA-N 390.487 3.351 0 1 GGAF NCCNC(=O)[C@H]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1 101080668 ZYWLNJLZRJUQBD-BETUJISGSA-N 380.414 3.444 0 1 GGAF NCCOc1c(-c2ccc(Br)cc2)[nH]c(=O)c2cc(F)ccc12 149384131 IZPURWNXWPTMHH-UHFFFAOYSA-N 377.213 3.434 0 1 GGAF Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCN(C)CC1 205269472 PNHLHMIRCPSFST-UHFFFAOYSA-N 385.475 3.142 0 1 GGAF CSc1ncc2c(n1)CCN(c1cc(C(=O)Nc3ccccc3)ccn1)C2 215909722 DWRMHJJFOYGLGH-UHFFFAOYSA-N 377.473 3.409 0 1 GGAF O=c1[nH]n(S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c2ccccc12 299819762 FLONBNOUFBCCTP-UHFFFAOYSA-N 381.413 3.099 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2c1 586878425 DAUHEAYKBIOTSU-XFXZXTDPSA-N 399.472 3.358 0 1 GGAF Cc1c(I)cnn1[C@@H](C)c1nc2cc3c(cc2[nH]1)OCO3 587182165 MHUKMUVGRILEBP-QMMMGPOBSA-N 396.188 3.010 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(N4C[C@H](C)O[C@H](C)C4)nc1)[C@@H](C2)C3=O 587439458 UJLPKKRIUVZLPN-WYXOGUJISA-N 380.444 3.193 0 1 GGAF Cc1cnn(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587660196 DBFLRFBBURQDTE-UHFFFAOYSA-N 376.391 3.438 0 1 GGAF COc1cc2ncn(Cc3cccc(Br)c3)c(=O)c2cc1OC 653722477 QABRWGAUSKPNHH-UHFFFAOYSA-N 375.222 3.225 0 1 GGAF COc1cc(OC)c2c(c1)C(=O)N(Cc1ccccc1Br)C2=O 1772590939 ZTQJYEFLCIDCTO-UHFFFAOYSA-N 376.206 3.263 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC[C@@H]3CCCO3)c2cn1)c1ccccc1 1772593342 FAGIWKXHUUDVAW-HIFRSBDPSA-N 380.452 3.432 0 1 GGAF C=CC(=O)N1CCN(c2ncnc3c2CCN(c2cccc4ccccc24)C3)CC1 1857566027 KJGJYCRTUNZPRN-UHFFFAOYSA-N 399.498 3.027 0 1 GGAF COc1ccc(C[C@@H]2COC(=O)[C@H]2Cc2ccc3c(c2)OCCO3)cc1OC 2356301259 SKEGIGMSBPKQTB-SJORKVTESA-N 384.428 3.049 0 1 GGAF CO[C@H]1Oc2cc(C)cc(O)c2C(=O)c2cccc(OCC=C(C)C(=O)O)c21 2356509494 RBJGUISHIUYGSQ-NRFANRHFSA-N 384.384 3.379 0 1 GGAF COc1cccc([C@H]2CC=C(C(=O)O)CN2S(=O)(=O)c2ccc(C)cc2)c1 137002269 AJQCOLGGDXCAPE-LJQANCHMSA-N 387.457 3.150 0 3 GGAF O=S(=O)(c1ccc(Cl)cc1)c1nnn2c1nc(Cl)c1ccccc12 2691604 NKJFZSILPNSRKT-UHFFFAOYSA-N 379.228 3.417 0 1 GGAF C[C@H](C[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1c2ccccc2C[C@@H]1C(=O)O 28260953 IBCUEOZCDMUSMM-XFQXTVEOSA-N 395.455 3.389 0 1 GGAF CS(=O)(=O)Nc1ccc(-c2cc(-c3ccccc3)cc(C(N)=O)c2N)cc1 28703768 WGNQUKSMRNUEGI-UHFFFAOYSA-N 381.457 3.073 0 1 GGAF Cc1ccsc1CN1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1 23337855 NYCGGYFQVFKNAE-UHFFFAOYSA-N 375.582 3.355 0 1 GGAF C[C@@]1(C(=O)Nc2cccnc2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61895474 KQXNQCRNSLZYBL-NRFANRHFSA-N 375.384 3.205 0 3 GGAF Cc1ccc([C@@H](O)Cn2c(=N)n(CCN3CCCCC3)c3ccccc32)cc1 28899099 FYUGRMNFXYASEF-QFIPXVFZSA-N 378.520 3.450 0 1 GGAF c1ccc(COc2cc(-c3ccc4cc[nH]c4c3)nc(N3CCOCC3)n2)nc1 66251662 ICAAVODUWODMJW-UHFFFAOYSA-N 387.443 3.436 0 1 GGAF Cc1ccc(Cn2c(C)c(C(=O)NCc3ccc4c(c3)OCO4)sc2=O)cc1 61903883 BCXQJNIVVBTNOC-UHFFFAOYSA-N 396.468 3.234 0 3 GGAF CCCCCCN1CC(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]2(C)C1=O 2098689 WFXBSPNHXDIMIE-JOCHJYFZSA-N 383.492 3.199 0 1 GGAF biogenic CC(=O)O[C@@H]1C(COC(=O)c2ccccc2)=CC=C[C@H]1OC(=O)c1ccccc1 14489396 ZBHLLVTXWGMEMT-NHCUHLMSSA-N 392.407 3.497 0 1 GGAF biogenic COC(=O)Nc1coc(C(=O)Nc2coc(C(=O)NCCc3ccccc3)c2)c1 1911581249 MVVGWTLMISBNMW-UHFFFAOYSA-N 397.387 3.276 0 1 GGAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1(C)CCOCC1 222425550 OEXZILYFIBISBL-UHFFFAOYSA-N 391.475 3.200 0 1 GGAF Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)OC[C@@H]3CCCN3C)C(C)C)co2)cc1 82070311 HURRMMTYLOHEND-PKOBYXMFSA-N 399.491 3.042 0 1 GGAF COC(=O)C1=C(C)N(C)C(NCc2ccc(OC)cc2)=N[C@@H]1c1ccccc1 199424176 UGHPKJYFDCHBGV-HXUWFJFHSA-N 379.460 3.275 0 3 GGAF CC[C@@H](C)Nc1c(C(N)=O)nnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc12 95592975 YZXCJRMUYASHMW-GFCCVEGCSA-N 398.488 3.010 0 1 GGAF COCCOc1cc2ncnc(Nc3cccc(OC)c3)c2c2c1OCCO2 653886899 FXBZQEFBHYYPIF-UHFFFAOYSA-N 383.404 3.178 0 1 GGAF COC(=O)c1ccc2c(c1)oc(=O)n2CCOc1ccnc2cc(OC)ccc12 653737695 AWXBDUDWVLVISH-UHFFFAOYSA-N 394.383 3.017 0 1 GGAF COC(=O)c1ncccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587775314 ZDCYGFHUAHOWLK-PSLIRLAXSA-N 379.229 3.393 0 1 GGAF N[C@@H](Cc1nc2ccc(CCO)cc2[nH]1)c1ccc(Br)cc1F 587144261 KPDSDHHVHWLUPU-AWEZNQCLSA-N 378.245 3.242 0 1 GGAF CCN(CC)c1ccc(-c2nn(-c3cncnc3)c(=O)c3ccccc23)c(O)c1 587665486 QXXFKWXMSZEQSC-UHFFFAOYSA-N 387.443 3.395 0 1 GGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(=O)OC)cccc3[nH]2)cc1 586939904 TZXGCWVUHAZBFB-GFCCVEGCSA-N 387.461 3.093 0 1 GGAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc2ncnn12 587585665 GPDHOKSQEGKFLT-DYESRHJHSA-N 388.383 3.015 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cnccn2)N1 587739488 HKCSGWNDXKFWEZ-MTVILGEESA-N 391.288 3.231 0 1 GGAF Cc1cccc(NC(=O)Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1C 587239485 PKMGOZOLOWEFSE-UHFFFAOYSA-N 378.476 3.193 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@@H](C(=O)O)c3ccc(F)cc3)CC1)O2 587384752 OJRZOVDQLWETEJ-LJQANCHMSA-N 398.434 3.342 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CC[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]41)[C@@H](C2)C3=O 587444170 NRBNXIDDVWAGCF-VPJBUDDNSA-N 385.460 3.458 0 1 GGAF CCS(=O)(=O)c1cccc(Cc2nc3ccnc(Br)c3[nH]2)c1 586922294 LDCIZCBTTWUPCV-UHFFFAOYSA-N 380.267 3.105 0 1 GGAF COC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436875 BUGCJVFXBYSHKA-IVZQSRNASA-N 377.396 3.301 0 1 GGAF COC(=O)c1cccc2c1c([C@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)cn2C 587432286 VXLCJWNWFXXRJE-SZNDQCEHSA-N 377.396 3.462 0 1 GGAF Nc1n[nH]c2c(Cl)c(NC(=O)N[C@H](COC(F)F)c3ccccc3)ncc12 1772592925 DQCUZQXZVITXLU-SNVBAGLBSA-N 396.785 3.296 0 1 GGAF Cc1ccc(C[C@]2(CCC(=O)NCCCc3cccnc3)CCC(=O)N2)cc1 11785976 DGYSTTVAVHRERU-QHCPKHFHSA-N 379.504 3.111 0 1 GGAF CCc1n[nH]c(C(=O)N2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)c1C 15934807 URPPTEFPNOTYEE-HXUWFJFHSA-N 377.435 3.016 0 3 GGAF COc1ccccc1CN(C)c1ncnc2c1CN(c1ccc(C)cn1)CC2 202609141 WRGIFZXNFSUOQC-UHFFFAOYSA-N 375.476 3.388 0 1 GGAF O=C(Nc1ccccc1)N1CCC2(CC1)CCN(C(=O)c1cnccn1)CC2 3956158 USLZIGDENKLLGF-UHFFFAOYSA-N 379.464 3.027 0 1 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N1CCOCC1 770852 VRVBWJDQFRSYSY-MJGOQNOKSA-N 386.473 3.097 0 1 GGAF O=C(CCS(=O)(=O)c1cccc2nsnc12)Nc1ccc(F)cc1Cl 2457728 NCDUQBVDDRPGNW-UHFFFAOYSA-N 399.856 3.286 0 1 GGAF O[C@@](CN1CCOCC1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 26849339 FYLUUUHOKBDRMG-HSZRJFAPSA-N 378.447 3.456 0 1 GGAF O=C1NC(=O)[C@H](c2cc(Cl)ccc2[S@](=O)Cc2ccc(Cl)cc2)N1 28226049 ABOWUFCCIBSPCV-BSEYFRJRSA-N 383.256 3.182 0 1 GGAF CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)[C@@H](C)Oc2ccccc2)cc1 40950674 ORIFITDVRDUTPN-VQIMIIECSA-N 381.476 3.198 0 1 GGAF CC(=O)Nc1ccc([C@@H]2N[C@H](C(=O)NC3C4CC5CC(C4)CC3C5)CS2)cc1 45370512 JDLWMBRMBRYZKX-LAMRPLGFSA-N 399.560 3.290 0 1 GGAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc4c(c3)OCO4)C[C@H]1C=N2 49808213 RVQJKSYFZYPIBA-AWEZNQCLSA-N 378.384 3.404 0 1 GGAF COCCNC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccco1 82142837 CEDRRWMBCJASAT-UHFFFAOYSA-N 386.839 3.378 0 1 GGAF O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2F)cs1 82193452 FXBCBYWTARPUDC-GUYCJALGSA-N 393.459 3.352 0 1 GGAF Cc1ccc(CNc2nc(C(F)(F)F)nc3c2nnn3C[C@H]2CCCO2)cc1 84690851 NZFKRHRJHVENPR-CYBMUJFWSA-N 392.385 3.340 0 1 GGAF CCC(=O)N1[C@H](CN(CC)C(=O)c2cccc(F)c2)[C@H](c2ccccc2)[C@@H]1CO 95895978 IEPBIIJIEGXQRE-URVUXULASA-N 398.478 3.053 0 1 GGAF CCCOc1cnc(C(=O)Cc2cccc([C@]3(C)CCSC(N)=N3)c2)cn1 96172039 RFPZLWDWXVLWOS-FQEVSTJZSA-N 384.505 3.358 0 1 GGAF CSc1nn(-c2ccccc2)c2nc(Nc3cccc(C)c3)n(N)c(=O)c12 103210743 MSXBONHEQLREFF-UHFFFAOYSA-N 378.461 3.070 0 1 GGAF COc1cc(C(N)=O)c2ncnc(NCc3ccc(C(F)(F)F)cc3)c2c1 114345513 FTCVWEWECUNCTD-UHFFFAOYSA-N 376.338 3.368 0 1 GGAF Cc1ccc(C(=O)NCc2ncccn2)cc1Nc1nccc(-c2cccnc2)n1 169699778 IEUBDWHEGVCTSV-UHFFFAOYSA-N 397.442 3.311 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4csc(C)n4)ncc23)ccn1 205446103 GBDLOCVRAMNDDW-UHFFFAOYSA-N 379.449 3.415 0 1 GGAF O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCN(CCOc2cccnc2)CC1 205941840 BQOOCNJGXJVXRO-UHFFFAOYSA-N 384.867 3.053 0 1 GGAF Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)NCC3CC3)cc2F)cn1 224764157 XWQUJVUNHAPVIR-UHFFFAOYSA-N 398.463 3.220 0 1 GGAF Oc1cccc([C@H](O)c2nc3c(Br)cnc(Br)c3[nH]2)c1 586889493 FTZRVKJTJJYTJE-NSHDSACASA-N 399.042 3.270 0 1 GGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C)cnc2[nH]1 586936355 LTCKTDAJRMVXSL-AWEZNQCLSA-N 376.507 3.039 0 1 GGAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(Br)cc2[nH]1 586950047 NQMXPCWPPVRTBI-UHFFFAOYSA-N 380.267 3.288 0 1 GGAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(Cl)ncnc2[nH]1 586983654 AIFCAUFALLMRCG-NSHDSACASA-N 394.660 3.189 0 1 GGAF COc1cncc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587018449 BSQBZVWMUWUKDE-UHFFFAOYSA-N 380.429 3.452 0 1 GGAF CC1=C(c2ccc3nc(C[C@H]4OCCc5ccsc54)[nH]c3c2)NNC(=O)C1 587034529 GZLNFZGFQRJYLL-MRXNPFEDSA-N 380.473 3.236 0 1 GGAF COC(=O)c1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cn1 587076734 OFVOWGHRQPMXIF-UHFFFAOYSA-N 383.795 3.233 0 1 GGAF Cc1csc([C@@](O)(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)C(F)(F)F)n1 587093511 FQAHYKCCKNYJLH-AWEZNQCLSA-N 389.330 3.158 0 1 GGAF Fc1c(F)c(F)c(/C=C/c2nc3ccc(-n4cnnn4)cc3[nH]2)c(F)c1F 587134817 PBKAOTKORQEZIK-DUXPYHPUSA-N 378.264 3.405 0 1 GGAF O=C(N[C@H](c1ccccc1)c1nc2c(S)nc(S)nc2[nH]1)c1ccccc1 587225574 XUVYPXQYHITOED-CYBMUJFWSA-N 393.497 3.450 0 1 GGAF NC1CC(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C1 587255654 UZMQQSAASBLFSM-UHFFFAOYSA-N 390.896 3.297 0 1 GGAF Oc1nc(O)c2ccc(CC[C@](F)(Cl)C(F)(F)Br)nc2n1 587368878 QTQDDFZMKLPDOD-SNVBAGLBSA-N 386.555 3.261 0 1 GGAF Cc1cc2c(cc1O)[C@](CC1OCCO1)(C1CCCCCC1)N[C@H](C(=O)O)C2 963550429 LQJDFNRRCIGYGW-AVRDEDQJSA-N 389.492 3.228 0 1 GGAF N=C1N[C@@]2(c3cc(F)cc(NC(=O)c4ccc(F)cn4)c3)OCC[C@H]2CS1 1772651932 DNDJOTIQAMAWJC-XTZNXHDOSA-N 390.415 3.073 0 1 GGAF COc1ccc(F)cc1[C@@H](C)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1 1857634856 YFDBBTYVALCDKB-SNVBAGLBSA-N 386.832 3.237 0 1 GGAF COC(=O)C1=C(C)N(C)C(NCc2ccc(OC)cc2)=N[C@H]1c1ccc(F)cc1 199424341 VPZAZADHMIDJNY-FQEVSTJZSA-N 397.450 3.414 0 3 GGAF C[C@@H]1CC[C@H]2C(=O)N3CCC[C@@H]3C(=O)N2[C@@H]1c1ccc(Br)cc1 7992036 OPKHASDRVSLFHV-FWYOQMDTSA-N 377.282 3.122 0 1 GGAF Cc1nn(-c2ccccc2)c(C)c1[C@H]1OC(=O)C(O)=C1I 103279345 LGUVWCYYKPCYEX-CQSZACIVSA-N 396.184 3.292 0 1 GGAF CCOc1cc([C@@H]2C3=C(O)CCCC3=Nc3nc(C(=O)OC)nn32)ccc1OC 102362763 GFZXNAVXOBNLPH-QGZVFWFLSA-N 398.419 3.144 0 1 GGAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1CN(C)C)CC[C@H](c1ccccc1)O3 28867375 GERZPJKYERQIHH-HXUWFJFHSA-N 392.503 3.472 0 1 GGAF Cc1cccc(C(=O)NCC(=O)NC[C@H]2CCCN2Cc2ccc(Cl)cc2)c1 28389308 UEOGQPZYSMZGAM-HXUWFJFHSA-N 399.922 3.159 0 1 GGAF CNC(=O)Nc1c(O[C@H](C)CN2CCCCC2)c(OC)c2occc2c1OC 29404334 YMCSRIIJHRAJBN-CYBMUJFWSA-N 391.468 3.455 0 1 GGAF CCOC(=O)[C@@H](CNC(C)=O)c1cn(C(=O)OCC)c2cccc(Cl)c12 27854904 DZAKTIMUZDGUSY-LBPRGKRZSA-N 380.828 3.082 0 1 GGAF CS(=O)(=O)Nc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 113333646 VYDWBAYBPOUUPX-IBGZPJMESA-N 399.520 3.011 0 1 GGAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N(CC)CC)[C@H](O)[C@H]2[C@@H]1C 2356404411 NDGFAXBERKKHMQ-ANHXSQBISA-N 395.588 3.002 0 1 GGAF Cc1ncccc1N1C[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)N(C)C1=O 64527550 ICWRCRSAONKLSI-INIZCTEOSA-N 393.274 3.254 0 1 GGAF O=C([C@@H]1CCc2c(Cl)cc(OCc3ccc(F)cc3)c(=O)n21)N1CCCC1 40916191 QBFPHRFCUVSRFY-KRWDZBQOSA-N 390.842 3.330 0 1 GGAF CC(C)(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12 28569595 UTDWJMBRBOKFJV-UHFFFAOYSA-N 397.476 3.422 0 1 GGAF Cc1[nH]c2ccccc2c1CCN1CCN(NC(=O)c2ccc(F)cc2)CC1 39219497 QFADUBZKJSZGDX-UHFFFAOYSA-N 380.467 3.121 0 1 GGAF CCN1C(NCCCOC(C)C)=N[C@@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C 36379135 YDRNLDNTYMCTTD-QRQLOZEOSA-N 375.513 3.002 0 3 GGAF CC(C)=CC[C@]12C[C@@H]3C(=O)O[C@@H](CC(C)C)C(=O)N3[C@@H]1N(C=O)c1ccccc12 14594637 XHYHTGJZXZEXDW-CQIJRDABSA-N 396.487 3.156 0 1 GGAF biogenic Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)OC[C@H]3CCCN3C)C(C)C)co2)cc1 82070312 HURRMMTYLOHEND-MJGOQNOKSA-N 399.491 3.042 0 1 GGAF CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(C(=O)O)cc1 95602614 OBTGYHYFRZSOIA-UHFFFAOYSA-N 395.415 3.251 0 1 GGAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 299881229 NPWYGZDVVJKGJY-POZUXBRTSA-N 390.842 3.458 0 1 GGAF Nc1ccnc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc12 586961713 SNDAWQDHDVBZDK-XYPHTWIQSA-N 397.504 3.235 0 1 GGAF COCCN1C(=O)C[C@@]2(C=C1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587755529 ATYGDOMAPSJBIY-BBATYDOGSA-N 397.288 3.100 0 1 GGAF FC(F)(F)c1nn(Cc2nc3cc4c(cc3[nH]2)OCCO4)c2c1CCCC2 587120084 QEXCZUQDOHARQM-UHFFFAOYSA-N 378.354 3.477 0 1 GGAF CN(C)C(=O)c1cccc(N=c2nc(OCC3CCCCC3)c3nc[nH]c3[nH]2)c1 584905386 HZNQONMMEIJNNU-UHFFFAOYSA-N 394.479 3.179 0 1 GGAF in-vitro COC(=O)c1c(Cc2cc(F)c(F)cc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587650406 URQBVAGPMAXCRO-UHFFFAOYSA-N 397.374 3.366 0 1 GGAF CCOc1ccc(OCC)c(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 587778437 MSOWRVWLOVETIY-UHFFFAOYSA-N 389.477 3.278 0 1 GGAF CC(C)(C)OC(=O)N1CCC[C@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1 587654611 MFJZJHJMURJCFM-ZDUSSCGKSA-N 391.855 3.337 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(O)cc1)C(=O)O 587612391 UTPOYHSNBBEYCZ-XMSQKQJNSA-N 392.363 3.126 0 1 GGAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587930933 ICHVCZLFFHRQRQ-MGPUTAFESA-N 385.489 3.267 0 1 GGAF CCOC(=O)c1nn(C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587761397 BDZPADYRWXJLRM-RFAUZJTJSA-N 396.260 3.122 0 1 GGAF CN(C)CCOc1ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 587044020 XOAZJEPCTYNTCQ-INIZCTEOSA-N 376.526 3.123 0 1 GGAF COCCN1C(=O)CC[C@H](c2nc3cnncc3[nH]2)[C@H]1c1ccccc1Cl 587063685 YXAVVWMLXACTRX-SCLBCKFNSA-N 385.855 3.100 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccncc2)no1 587868865 VXEVOYIXYRFZNV-UHFFFAOYSA-N 388.309 3.407 0 1 GGAF COc1cc(Br)c([C@H](N)c2nc3cc(C)cnc3[nH]2)cc1OC 586976521 VQGDTDGNSNFMGF-AWEZNQCLSA-N 377.242 3.094 0 1 GGAF COc1ccc([C@]2(CO)c3ccsc3CCN2Cc2cccn2C)c(OC)c1 962396079 FEUNDYNVHCYEGG-JOCHJYFZSA-N 398.528 3.398 0 1 GGAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc(-n3ccnc3)cs2)N1 963218116 CARMECMDZYHWTJ-MJGOQNOKSA-N 376.441 3.170 0 1 GGAF O=C(O)COc1ccc2ccccc2c1[C@@H]1NCCc2c(C(=O)O)cccc21 963120944 IAOSXIAWDQVKAT-OAQYLSRUSA-N 377.396 3.237 0 1 GGAF CCS(=O)(=O)c1ccc(Cl)cc1[C@@H]1NCCc2nc3ccccn3c21 962983680 MBJNXIPVZZALOE-KRWDZBQOSA-N 375.881 3.016 0 1 GGAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1CC[C@@H]1CCCO1 963155884 ZLDSJOPZXXLWPP-YUTCNCBUSA-N 382.482 3.390 0 1 GGAF NC(=O)N1CCc2sccc2[C@@]1(C(F)(F)F)C(F)(F)Br 962715362 RNIXQEYEBZFENZ-QMMMGPOBSA-N 379.148 3.430 0 1 GGAF CC(C)(C)NC[C@@H]1C[C@H]2CCCC[C@H]2CN1C[C@@H](O)[C@@H](N)Cc1ccccc1 1772583863 PWNVMZDSVKZPKA-OOYIDZMOSA-N 387.612 3.186 0 1 GGAF O=C1CC[C@H](C(=O)N2CCN(c3ccccc3)CC2)CN1CC1CCCCC1 12303786 ZGNYROFVZMTCAB-FQEVSTJZSA-N 383.536 3.154 0 3 GGAF N=C(N)Nc1cccc([C@H](C[P@](=O)(O)CCCc2ccccc2)C(=O)O)c1 16052373 HFRHWTYCVGKGIE-KRWDZBQOSA-N 389.392 3.063 0 1 GGAF in-vivo Cc1cccc(CSc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)c1 1857567472 XCLPSOZWXNMFSH-QGZVFWFLSA-N 380.469 3.048 0 1 GGAF C[C@H](O)c1ccc(Oc2ccc3nc(C(=O)N4CCNCC4)ccc3c2)cc1 584606571 ZPRIRPFVDYDMCY-HNNXBMFYSA-N 377.444 3.126 0 1 GGAF Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)o1 100275918 YXZQGPJLTCMENA-ROUUACIJSA-N 381.359 3.472 0 1 GGAF COc1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1N 103268888 RLLOTGNQEUTEMC-UHFFFAOYSA-N 390.490 3.147 0 1 GGAF O=C(O)CCc1nc2[nH]cnc2c2nc(-c3ccc(-c4ccccc4)cc3)nn12 27210471 WOQBHNVICZCBNX-UHFFFAOYSA-N 384.399 3.352 0 1 GGAF NCCCn1cc(C2=C(c3ccnc4ccccc34)C(=O)NC2=O)c2ccccc21 29124996 SIXYDQPMQVRKSK-UHFFFAOYSA-N 396.450 3.106 0 1 GGAF CCCCC/C=C\C/C=C\C/C=C\C[C@@H](O)[C@@H](O)CCCC(=O)NCCO 34961988 BQQNTPYZRYHULM-ABYDBCJLSA-N 381.557 3.406 0 1 GGAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ncc2ccccn12 1911577922 KCSUDDCZEAJVHR-QGZVFWFLSA-N 375.407 3.467 0 1 GGAF O=C(C1CC1)N1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cncnc2)CC1 72185541 LXPGRTPVQBHOIS-GOSISDBHSA-N 390.409 3.139 0 1 GGAF CC(C)=CC[C@]12C[C@@H]3C(=O)O[C@H](CC(C)C)C(=O)N3[C@@H]1N(C=O)c1ccccc12 14594638 XHYHTGJZXZEXDW-PJIZGREPSA-N 396.487 3.156 0 1 GGAF biogenic O=C(C(=O)N1CCC(CNC(=O)c2cccs2)CC1)c1cc2ccccc2o1 199720194 JTMCUCADHRWCMW-UHFFFAOYSA-N 396.468 3.346 0 3 GGAF COCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 82141462 IQVGROHYLXVQIR-GASCZTMLSA-N 386.471 3.141 0 1 GGAF C[C@H]1CCCCN1[C@H]1CCN(c2ccc(N3CCC4(CCNCC4)C3=O)cc2)C1 146393527 WLTLNZRJLAWSMC-UGKGYDQZSA-N 396.579 3.246 0 1 GGAF CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(CO)cc21 144381994 AFCBFUKNQZGESW-GFCCVEGCSA-N 393.896 3.241 0 1 GGAF COc1cc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC 653791360 OHWZECAFKPIMNC-ZSOIEALJSA-N 388.807 3.463 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\NC(=O)CS2)(C2CC2)N1 587859068 VGUPXXMJHPXRET-OKDPCNBGSA-N 397.313 3.432 0 1 GGAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnncc3[nH]2)C[C@@H]2CCCC[C@@H]21 586958843 IXKNIMGPCJQPKE-KKXDTOCCSA-N 383.477 3.047 0 1 GGAF COc1cc(Br)c([C@H](N)c2nc3c(C)nccc3[nH]2)cc1OC 586973944 AHYZKHFCBAKXPO-AWEZNQCLSA-N 377.242 3.094 0 1 GGAF CN(C)CCOc1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587173782 JEBGBWPQTMOXDH-OAQYLSRUSA-N 383.423 3.271 0 1 GGAF COCC[C@@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349986 QYZKNHBLSLKIGD-CTNGQTDRSA-N 388.391 3.229 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c3oc(=N)[nH]c3c2)N1 587749029 ZQQCXPZABDIFAZ-ZIDLFYJRSA-N 392.228 3.471 0 1 GGAF COc1ccc(OC)c2c1CCC[C@]21NC[C@@H]2CC(=O)N(C)c3cccc1c32 963030205 QBFUYNDXAPUALR-LFVRLGFBSA-N 378.472 3.337 0 1 GGAF Cc1cc(S(=O)(=O)N2CCC[C@H](N(C)CCc3ccccn3)C2)c(C)s1 12305456 ZRJMHPJCYCLFBI-SFHVURJKSA-N 393.578 3.088 0 3 GGAF COc1cc(CN2C(=O)O[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc(OC)c1 13740658 QPYHFENMSUXYHC-IBGZPJMESA-N 380.400 3.275 0 1 GGAF COC(=O)[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(C)=O 13905300 VWHLLXCRBKVASA-SFHVURJKSA-N 396.443 3.264 0 1 GGAF NC(=O)c1cc(-c2ccc(F)cc2)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12 114244034 CKNZVFDNPYSVSS-UHFFFAOYSA-N 386.448 3.365 0 1 GGAF C[C@H](CC(=O)N1CCc2ccccc2C1)CC1=NS(=O)(=O)c2ccccc2N1 4148385 QSWDGYOSYPWBHW-HNNXBMFYSA-N 397.500 3.201 0 1 GGAF COc1ccc(Oc2ncc3nc(-c4ccc(F)cc4)c(=O)n(C)c3n2)cc1 4238327 BSAQLEXUXDOBFX-UHFFFAOYSA-N 378.363 3.331 0 1 GGAF Cc1c(Cl)cccc1NC(=O)CN1C(=O)CCn2nc(-c3cccn3C)cc21 8609464 IFVBPSQSTZEFOL-UHFFFAOYSA-N 397.866 3.226 0 1 GGAF CN1C(=O)[C@H](NC(=O)Nc2ccccn2)N=C(c2ccccc2)c2ccccc21 13733026 OCYOPUXNKHBTCP-FQEVSTJZSA-N 385.427 3.043 0 1 GGAF CN1C(=O)NC(=O)/C(=C2\C[C@@H](c3ccc(O)cc3)Sc3ccccc3N2)C1=O 15670693 GKRXCLAUMDTQCF-GDGUIRGDSA-N 395.440 3.004 0 1 GGAF CCCN(CC1CC1)c1nc(C)nc2c1n(C)c(=O)n2-c1c(C)cc(C)nc1C 28020978 XPWQGCWQXJFTKO-UHFFFAOYSA-N 394.523 3.374 0 1 GGAF Cc1ccc(C2(O)CCN([C@@H](C)[C@H](O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1 28952102 DSRUIFDXWAYHHS-SBUREZEXSA-N 394.515 3.285 0 1 GGAF CCc1cnn2c(NCc3cnc(N)nc3)cc(-c3c(F)cccc3F)nc12 33295984 HQPVGVSQPQVZLD-UHFFFAOYSA-N 381.390 3.221 0 1 GGAF in-vivo Nc1ncc(-c2ccc(C(=O)N3CCCC3)cc2)nc1C(=O)Nc1ccccc1 71318059 ZSLFRDMYLBSGBD-UHFFFAOYSA-N 387.443 3.214 0 1 GGAF Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)C1 71340871 NMRMEFHQDDESCE-MOPGFXCFSA-N 383.492 3.157 0 1 GGAF O=C(c1cccc(Cl)c1Cl)N1CCn2c(Br)nnc2C1 95565589 UKMISBSYKUNGEN-UHFFFAOYSA-N 376.041 3.003 0 1 GGAF Cc1sc(C(=O)N[C@H]2[C@H](N)CCCC2(F)F)cc1-c1cnc2cccnn12 96177972 RBKSVWDPSJPWNC-WBMJQRKESA-N 391.447 3.011 0 1 GGAF Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)o1 100275933 YXZQGPJLTCMENA-QZTJIDSGSA-N 381.359 3.472 0 1 GGAF O=C(CCCN1CCN(CC[C@H]2CC3=CC=C[C@@H]3C2=O)CC1)c1ccc(F)cc1 101270915 RFZKUFSNWLGGQV-UNMCSNQZSA-N 396.506 3.498 0 1 GGAF CCCNC(=O)c1onc(CSc2cccc(OC)c2)c1C(=O)NC(C)C 103211236 NRIXFIYQTWLKDP-UHFFFAOYSA-N 391.493 3.254 0 1 GGAF CC(=O)O[C@@H]1O[C@H]2OC(=O)C[C@@H]1[C@@H]2[C@]1(C)CCC2=C([C@H]1C)[C@H](O)CCC2(C)C 145351856 NCFPCQOZRDZFNU-JPLWFRRLSA-N 392.492 3.325 0 1 GGAF CC(=O)N1CC=C(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1 145566892 UWCUJTUJHFUPII-UHFFFAOYSA-N 385.471 3.264 0 1 GGAF CC(C)(C)c1cc(NC[C@H]2[C@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)no1 208091650 SZVUOZVUDJCILG-YOEHRIQHSA-N 377.510 3.471 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@H]3CCCNC3)c2cn1)c1ccccc1 210688680 BDLIBBUDUQZMPL-HIFRSBDPSA-N 379.468 3.005 0 1 GGAF CC(=O)O[C@@H]1C#CC=CC#CC[C@H]2C(=O)N(C(=O)Nc3ccc4ccccc4c3)[C@H]12 299806358 GEGLYXVNUUBTMD-VSKRKVRLSA-N 398.418 3.097 0 1 GGAF O=S(=O)(c1ccccc1)N1N=C(C(F)(F)F)C[C@H]1c1ccc2c(c1)OCO2 299836088 GCWPYEYIYFGUSM-ZDUSSCGKSA-N 398.362 3.469 0 1 GGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(O)cc2[nH]1 586937161 POYSPTNNUNLZTK-HNNXBMFYSA-N 377.491 3.041 0 1 GGAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(Cl)nc2[nH]1 586945612 JIUCTEQCEXEIMM-UHFFFAOYSA-N 394.865 3.411 0 1 GGAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2nc(Br)c[nH]c-2n1 586963553 OGJYGZXIWIDWJE-SSDOTTSWSA-N 381.259 3.114 0 1 GGAF CCc1cc(O)nc(SCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)n1 586967338 XYHIKNOPWKCHTA-UHFFFAOYSA-N 390.778 3.327 0 1 GGAF CN(C)C(=O)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005572 LAKKGDOOFNDWNW-UHFFFAOYSA-N 380.633 3.138 0 1 GGAF COC(=O)c1cccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 587197107 IWFUXOWFNCBGND-CYBMUJFWSA-N 389.452 3.266 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C)(CN1C(=O)c3ccccc3C1=O)CC2=O 587475375 LCBNWCHFPJPDQD-JOCHJYFZSA-N 379.412 3.365 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCCO)c1 587593790 DXTFUQGAJAWOIN-UGKGYDQZSA-N 378.380 3.466 0 1 GGAF COC(=O)c1ncccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587775316 ZDCYGFHUAHOWLK-VFZGTOFNSA-N 379.229 3.393 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)nc2)N1 587849483 MQLKHZYSDDMLFQ-FVMDXXJSSA-N 399.285 3.010 0 1 GGAF Cc1c(F)ccc(C(=O)Nc2cc(N)ccc2N2CCN(C)CC2)c1Cl 653874521 GRCZQAJZPPEKIZ-UHFFFAOYSA-N 376.863 3.374 0 1 GGAF 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CC=CC=CCC[C@]12OCC[C@@H]3OC[C@@](OC(=O)c4ccccc4N)(CO1)[C@@H]32 2356326181 VBMCKMSEFYEVBY-PSBKLILYSA-N 385.460 3.239 0 1 GGAF c1ccc(Cn2cnc3c(Nc4ccccc4)nc(N4CCOCC4)nc32)cc1 53299048 NHMKGUIRWDBUKJ-UHFFFAOYSA-N 386.459 3.455 0 1 GGAF Cc1noc(C)c1Cn1cc(NC(=O)c2cc3c(cc2Cl)OCCO3)cn1 116768954 IEYASGORSUXVMI-UHFFFAOYSA-N 388.811 3.213 0 1 GGAF COc1ccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)cc1Cl 66259351 MDJCMNYFTLUIDM-UHFFFAOYSA-N 386.887 3.058 0 1 GGAF O=S(=O)(c1ccc(F)cc1)N1CCC(O)(CCc2ccc(F)cc2F)CC1 36270437 XWWMSPYJKMBSOT-UHFFFAOYSA-N 399.434 3.252 0 1 GGAF CC(C)CO[C@@H]1C[C@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40933996 QDHKBIPGDXCJCB-XJKSGUPXSA-N 380.876 3.337 0 1 GGAF CCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](C(C)C)N2 82206191 PFJHBSVYBFNHTJ-MRXNPFEDSA-N 382.464 3.228 0 1 GGAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2CCC[C@H]2O)cn1 141316007 UDGOBDSFWBJVTE-RBUKOAKNSA-N 393.443 3.267 0 1 GGAF CC(=O)O[C@@H]1[C@H](C)C[C@H]2[C@H]3[C@@H]1[C@@H]1C=C(C)[C@H](O)CC[C@](C)(OC[C@@H]2C)[C@@H]3O1 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Cc1nn([C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)c(=O)c2cc3occc3n12 6807374 SXIMFXHEXJBKOF-CABCVRRESA-N 392.459 3.249 0 3 GGAF CC(C)CN1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@@H]1CCO 20600330 VABHUPUYJQFQAS-FQEVSTJZSA-N 388.943 3.322 0 3 GGAF OCC[C@@H]1CN(Cc2nc3c(s2)CCCC3)CCN1CCc1ccccc1 20472408 RSSRUCGDWNZECU-LJQANCHMSA-N 385.577 3.133 0 3 GGAF CCCCN1C[C@@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@H](C1)N2C 26469084 CGDPWMYKOHALQW-YQQQUEKLSA-N 384.568 3.441 0 1 GGAF CC(=O)O[C@@H]1CCC(C)=CCC[C@](C)(O)[C@H]2C[C@@H](CC[C@@]1(C)O)[C@@H](C)C(=O)O2 2356798515 SPTRBEJSAGOVBE-LOCTXEPASA-N 396.524 3.288 0 1 GGAF CCC[C@@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 82196305 CIOBWNWYHLRCTQ-CQSZACIVSA-N 378.476 3.250 0 1 GGAF O=C(Nc1ccccc1)N1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1 139261299 LWANTKLMGLEVHN-UHFFFAOYSA-N 375.375 3.358 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cc1 143446138 HPVCBOKROQHPHG-ZDUSSCGKSA-N 379.464 3.013 0 1 GGAF CS(=O)(=O)c1ccc(/C(=C\c2cccc(Br)c2)C(=O)O)cc1 95586079 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CCOC(=O)COc1cccc([C@@]2(C)N[C@H](C)Cc3c(OC)ccc(OC)c32)c1 963640493 WECXACQSIUUEPU-IQMFZBJNSA-N 399.487 3.443 0 1 GGAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@]2(CCCCc3c[nH]cc32)N1 962634999 NNDMGBFOKYPVGF-KDOFPFPSSA-N 380.366 3.482 0 1 GGAF O=C(O)CCC[C@@]1(c2cccs2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963231503 MTXGPZBABUPZSA-DYESRHJHSA-N 396.468 3.394 0 1 GGAF COC1CCC2(CC1)Cc1ccc(OCC(F)(F)F)cc1[C@@]21CN(C)C(=N)N1 1772640060 PWSOESGNVPAJGB-FPCQFERPSA-N 397.441 3.424 0 1 GGAF O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccccc1 13860633 DCQCDEPHHWZADO-IBGZPJMESA-N 381.476 3.485 0 1 GGAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2ccc3ccccc3c2)CC1 207225205 AXYFHHUNIHMJGQ-UHFFFAOYSA-N 385.489 3.412 0 1 GGAF O=C1N(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)CCC1(F)F 1857644616 JPMXZOVVSGBPDK-CYBMUJFWSA-N 380.341 3.301 0 1 GGAF CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccco3)c2c1C 4101355 PNNHNDGSYQYZQG-UHFFFAOYSA-N 389.433 3.097 0 3 GGAF COc1ccccc1CNC(=O)c1cccn2c(=O)c3c(C)c(C)sc3nc12 4877690 DALNBMVTWLRZRA-UHFFFAOYSA-N 393.468 3.465 0 1 GGAF CCOC(=O)[C@H]1CCCN(C(=O)c2cc3c(=O)[nH]c4ccc(C)cc4c3s2)C1 4950648 SSVGXMXRSCWYKD-ZDUSSCGKSA-N 398.484 3.467 0 1 GGAF Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O[C@@H]2CC[C@@H]3CC=C[C@@H]32)cc1 6487419 VWXKZFFUVFUIOE-GDAAHCPNSA-N 375.490 3.046 0 1 GGAF O=C(c1cc2ccccc2[nH]1)N1CCN(c2ncccc2NCC2CC2)CC1 6583937 GSPYACVZNDUSOW-UHFFFAOYSA-N 375.476 3.347 0 1 GGAF Cc1oc(-c2ccccc2F)nc1C[S@@](=O)CC(=O)NC1CCCCC1 6772249 KCWAHABDGFHORM-SANMLTNESA-N 378.469 3.487 0 3 GGAF CC1=C(c2ncnn2CCO)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 103094058 TXETYQMNYNFYES-MRXNPFEDSA-N 391.262 3.220 0 1 GGAF CCOC(=O)c1cnn(C[C@H](O)c2ccccc2)c1NC(=O)Nc1ccccc1 28702098 NISMPXFTUPEROR-SFHVURJKSA-N 394.431 3.437 0 1 GGAF CC1=C[C@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356459167 BCUHBXVRZKQSQX-KSZLIROESA-N 397.523 3.393 0 1 GGAF Cc1ccc(CNC(=O)[C@@H]2C[C@H]3Cn4c(nc5cc(C)c(C)cc54)[C@@H]3N2C)o1 36378239 YUJOHWVYKAPKFZ-RYGJVYDSSA-N 378.476 3.246 0 3 GGAF CCCCC/C=C\C[C@H](O)[C@@H](O)C/C=C\C/C=C\CCCC(=O)NCCO 34962011 WYSZRDPBSSHJLF-HCBILCPJSA-N 381.557 3.406 0 1 GGAF O=C1c2c(c3n(c(=O)c2O)CCCCC3)C(=O)N1Cc1cccc2ccccc12 71317170 MBXBUFYMDZUCRX-UHFFFAOYSA-N 388.423 3.230 0 1 GGAF COc1cc(CC[C@@H](C[C@@H](CCC[C@H](C)O)OC(C)=O)OC(C)=O)ccc1O 85596882 FFDQTZNFWHSXQO-KYNGSXCRSA-N 396.480 3.138 0 1 GGAF biogenic,in-vitro CN(C)C(=O)c1ccc(-c2ccc3nnc(-c4ccc5c(c4)OCO5)n3c2)cc1 82083037 FEGCNWKDLPUOHM-UHFFFAOYSA-N 386.411 3.494 0 1 GGAF COC(=O)C1=C(C)N(C)C(NCc2ccc(OC)cc2)=N[C@H]1c1ccccc1 199424156 UGHPKJYFDCHBGV-FQEVSTJZSA-N 379.460 3.275 0 3 GGAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CN(C)C(C)=O 95895621 URWWHKBLCURBOC-FUDKSRODSA-N 398.478 3.036 0 1 GGAF O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1cccc(F)c1 95796592 TWVMRGSVCHLTGK-GGAORHGYSA-N 394.490 3.167 0 1 GGAF O=C(c1ccc(-c2ccccn2)cc1)N1CCN(C(=O)c2cccc(F)c2)CC1 473136420 REGZEJVCPFXRCQ-UHFFFAOYSA-N 389.430 3.486 0 1 GGAF CCOc1ccnc(OCC)c1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 473171473 YPUWWCHQRIEVFV-IKGGRYGDSA-N 397.475 3.346 0 1 GGAF CC(C)[C@H](C)c1[nH]c2ccccc2c1CC(P(=O)(O)O)P(=O)(O)O 299856365 BPHHMBIKIGOQPS-JTQLQIEISA-N 375.298 3.151 0 1 GGAF C[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)N1CCCC1 587656718 LDDXCEWFABNLSG-CYBMUJFWSA-N 383.398 3.466 0 1 GGAF FC(F)(F)c1cnc2[nH]c(-c3nccnc3I)nc2c1 587186882 YCIXGUBJSWMXGQ-UHFFFAOYSA-N 391.094 3.038 0 1 GGAF CC1CCC(NS(=O)(=O)Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)CC1 586953347 SKEJWFAFHJGBFT-UHFFFAOYSA-N 377.844 3.493 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)c(F)cc12 587570430 KOTSXEFIJTYYPN-UTKZUKDTSA-N 395.317 3.480 0 1 GGAF COc1cccc2c1NC(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587797430 WZEFCYCUOPSSLM-NIVTXAMTSA-N 391.240 3.327 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 587031957 NSELFCFGWFUVEE-UHFFFAOYSA-N 391.518 3.443 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(C=O)ccc3OC)[nH]c2c1 587787928 ZYLWGHDSIYLHLZ-UHFFFAOYSA-N 387.461 3.082 0 1 GGAF O=C(NCCc1nc2c(Br)ccnc2[nH]1)OCc1ccccc1 587227964 CDAWIZGCEOSAOU-UHFFFAOYSA-N 375.226 3.189 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2C(CCC(=O)O)(CCC(=O)O)N1 587825447 DJTOWOXORZRDRB-VIFPVBQESA-N 388.233 3.047 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C(=O)N(CC4CCC4)c4ccccc41)[C@@H](C2)C3=O 587436621 SHFIVADEGFPKPB-SBUREZEXSA-N 375.424 3.485 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccc(C3OCCO3)s1)(C1CC1)NCC2 962933239 SZDGMIJJYKQBIM-QFIPXVFZSA-N 398.528 3.295 0 1 GGAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(CCOc3ncccc32)N1 963171987 CFQXWXKHOUTYFK-SJCJKPOMSA-N 398.768 3.379 0 1 GGAF C[C@@H](N[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2)C1)c1cccc2ccccc12 1772617075 VHEBWOMRMBCZCG-AEFFLSMTSA-N 395.528 3.417 0 1 GGAF COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1O[C@H]1CCCN(C)C1 169304223 XDFRQZJECBVMRQ-INIZCTEOSA-N 387.480 3.210 0 3 GGAF CCNC(=O)Nc1cccc(-c2cnc3cc(-c4ncc(F)c(N)n4)ccn23)c1 169704633 ARKMOYZWDAUFBL-UHFFFAOYSA-N 391.410 3.321 0 1 GGAF Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cccc(F)c2)s1 1857547079 GXXGXBVAZVEEKD-JKSUJKDBSA-N 384.480 3.163 0 1 GGAF O=C(c1cc(-c2ccc(O)nc2)on1)N1CCN(Cc2ccc(Cl)cc2)CC1 1857555522 MSYXAYZNSQMFHO-UHFFFAOYSA-N 398.850 3.054 0 1 GGAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NC[C@H](O)CC)cc1 4049051 LWSSCWNPGIHKTG-LMNJBCLMSA-N 382.460 3.064 0 1 GGAF CCCCCCC1=NOC[C@@]1(C)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 4216405 BYPALXQZBCXAMZ-MGPUTAFESA-N 381.517 3.475 0 1 GGAF Cc1ccc(Nc2nnc(Sc3ccc(S(N)(=O)=O)cc3)s2)cc1 103297094 CQWSHKKVXZDXCR-UHFFFAOYSA-N 378.504 3.389 0 1 GGAF COc1cc(OC)cc(-c2nnc(SCC(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)o2)c1 100276185 JNYBWQUFLBASQM-HSMVNMDESA-N 389.477 3.151 0 1 GGAF O=C(Cc1csc2ccc(Cl)cc12)N1CCOC[C@@H]1CN1CCCC1 29043174 NMDOKBYNDWZGJE-INIZCTEOSA-N 378.925 3.420 0 1 GGAF O=C1Cc2c([nH]c3ccc(I)cc23)-c2ncccc2N1 29055227 DZQKEZDDWGRQEW-UHFFFAOYSA-N 375.169 3.329 0 1 GGAF Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(-c4ccc(N)cc4)cc3c12 28521827 ONMCPOKQCKXBHR-UHFFFAOYSA-N 396.454 3.354 0 1 GGAF CCCCC/C=C\C[C@@H](O)[C@@H](O)C/C=C\C/C=C\CCCC(=O)NCCO 34962013 WYSZRDPBSSHJLF-ABRALVTRSA-N 381.557 3.406 0 1 GGAF CCCNC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(C)=O 95895585 ICLDRKSGEYCSHN-YPAWHYETSA-N 399.535 3.028 0 1 GGAF O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(C(=O)O)ccc(O)c2n1 473146760 DDWKDMPRLULLKO-UHFFFAOYSA-N 375.384 3.092 0 1 GGAF COc1ccc(C=O)cc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587786329 GBAZCOPIYYPAJS-UHFFFAOYSA-N 384.335 3.345 0 1 GGAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc4c(cc3[nH]2)NC(=O)CC4)C(F)(F)C1 587132738 UMJZDSBXYMVRKC-NSHDSACASA-N 392.406 3.417 0 1 GGAF COc1ncnc(OC)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587776194 BVWGZKQVCIAXCR-CLAHSXSESA-N 382.233 3.019 0 1 GGAF COc1ccc(-c2nnc(-c3ccc4nc(/C=C\S(C)(=O)=O)[nH]c4c3)o2)cc1 586926971 RDMATEMIWPUHNU-KTKRTIGZSA-N 396.428 3.304 0 1 GGAF O=S(=O)(NCCc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(Cl)nc1 586942902 SOJFDBJXSMJBDX-UHFFFAOYSA-N 390.896 3.011 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1cc(Cn4cncn4)c(C)cc1C)[C@@H](C2)C3=O 587433527 YSUGRWVLCHWWRR-AVRDEDQJSA-N 375.428 3.441 0 1 GGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccnc(Cl)c2[nH]1 586935042 GAHDYMPCPPGKAI-ZDUSSCGKSA-N 396.925 3.384 0 1 GGAF CCCn1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)c(C)n1 587276654 PPOGSIMJBHPHII-UHFFFAOYSA-N 378.226 3.229 0 1 GGAF COc1ccccc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599617 GYCLOABFYWANSJ-GCJKJVERSA-N 392.363 3.343 0 1 GGAF COc1cc2c(cc1OC)[C@H](c1ncc(Br)cn1)N(C)[C@@H](C)C2 962628439 MHZKBIDTFKLRBJ-MGPLVRAMSA-N 378.270 3.222 0 1 GGAF Cn1ccc2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c21 1772588959 RAVNGLZZCRUFSP-UHFFFAOYSA-N 396.516 3.265 0 1 GGAF Nc1nc(N)c2cc3c(nc2n1)CCN(Cc1ccc(Cl)cc1Cl)C3 13492108 HDEAPWLQMIYFKW-UHFFFAOYSA-N 375.263 3.054 0 1 GGAF COc1cc(COc2cnc(N)nc2N)ccc1OCCCc1ccccc1 13532499 BCSQOKKPMXNMHQ-UHFFFAOYSA-N 380.448 3.240 0 1 GGAF CC1=NC(=O)N[C@H](c2ccc(F)cc2)[C@@H]1C(=O)OCc1ccc2c(c1)OCO2 169687111 MWZUMLFQXTXCOK-QZTJIDSGSA-N 384.363 3.139 0 1 GGAF O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccccc3CO)c2o1 118280877 DHOHZNJDTBESFH-FQEVSTJZSA-N 376.456 3.416 0 1 GGAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)Cc5ccccc5)cc4)c12)COC3 1857598778 IBEHMDLKZKJDBE-UHFFFAOYSA-N 385.427 3.044 0 1 GGAF O=C(COc1ccccc1)Nc1nc2ccccn2c1C(=O)NC1CCCC1 1857617086 YCVIRAJAUCBPEV-UHFFFAOYSA-N 378.432 3.024 0 1 GGAF O=C(O)C[C@H](NC(=O)c1cccc(Br)n1)c1ccccc1Cl 223482302 QWNDNEJICOPFAQ-LBPRGKRZSA-N 383.629 3.443 0 1 GGAF CC(C)(C)NC(=O)CSc1nnc(Cc2ccccc2)n1C[C@@H]1CCCO1 904463 FZKVEFDILLARPF-INIZCTEOSA-N 388.537 3.055 0 3 GGAF Nc1ccc(C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)c(C(=O)O)c1 4661699 MNXJHSCHGADYNF-UHFFFAOYSA-N 394.258 3.236 0 1 GGAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc2nccnc2c1 117590878 QZAKKNZSJDVFKW-UHFFFAOYSA-N 377.448 3.141 0 1 GGAF COc1cc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc(OC)c1OC 102794474 ACPIOBQJCNZEPH-HNNXBMFYSA-N 399.838 3.408 0 1 GGAF COc1cc(C(N)=O)c2ncnc(NCc3cccc(C(F)(F)F)c3)c2c1 114349067 QWDUSFJGONFTMI-UHFFFAOYSA-N 376.338 3.368 0 1 GGAF CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3ncc(C)c4occc34)CC2)CC1 116880662 ALJNGMYHXPZTTG-KDURUIRLSA-N 384.524 3.343 0 1 GGAF C[C@]1(C(=O)O)[C@@H](O)CC[C@]2(C)[C@H]3CC(=O)[C@H]4C[C@]3(CC[C@@H]12)c1ccccc1N4 2356584826 UESFHRIHCVPQCD-BJZKGQLRSA-N 383.488 3.360 0 1 GGAF COc1cc(OC)c([C@H]2OC(c3ccc(N(C)C)cc3)=NN2C(C)=O)c(OC)c1 27518563 ZPWXWNNDBUFHGY-OAQYLSRUSA-N 399.447 3.018 0 1 GGAF C[C@@H]1CCCC[C@@H]2C(=O)CC[C@H]3OC(C=CC=CC=CC(=O)O)=C(C(=O)O1)[C@@H]23 2356677058 FXWZJHIHNQQRDJ-CWLMSFPYSA-N 386.444 3.494 0 1 GGAF CS(=O)(=O)Nc1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1 71329736 UVBPJCVBBCXOGG-UHFFFAOYSA-N 376.478 3.325 0 1 GGAF COc1cc(CCc2ccc(CCc3cc(OC)cc(=O)o3)cc2)oc(=O)c1 73199916 AJVALXXXOAULDB-UHFFFAOYSA-N 382.412 3.181 0 1 GGAF CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1C[C@H](O)COc1ccccc1 40584955 MUPZFGWDDIBFHF-KRWDZBQOSA-N 396.443 3.175 0 1 GGAF COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CC2)[C@@H](CO)N3)c1 95797035 WTDKBUHNBUIAHQ-BWAGFHJFSA-N 378.472 3.448 0 1 GGAF CC(C)(C)[C@H](NC(=O)c1cc(OC2COC2)c(Cl)cn1)c1nccs1 149228363 UHDXITGYAGWUGG-CQSZACIVSA-N 381.885 3.486 0 1 GGAF CC(C)(C)OC(=O)n1cc(CNC(=S)N2CCOCC2)c2ccccc21 96938455 ICCNHBAQBDDRCD-UHFFFAOYSA-N 375.494 3.131 0 1 GGAF COc1cncc(-c2nnc3ccc(Sc4cc(OC)ccc4OC)nn23)c1 299823995 ACILOMYAPHBUOV-UHFFFAOYSA-N 395.444 3.363 0 1 GGAF CCOc1ccc(-c2nn(C(=O)C[C@H](C)O)c(=O)c3ccccc23)cc1OCC 587670705 HGDULOOYSMIGMF-AWEZNQCLSA-N 396.443 3.272 0 1 GGAF CCCS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587529975 ALWGVMLNPVYISD-UHFFFAOYSA-N 377.506 3.105 0 1 GGAF N=C(N)c1ccc2nc(-c3cc(I)ccc3F)[nH]c2c1 587182994 UDVAWYRJWPWTGU-UHFFFAOYSA-N 380.164 3.258 0 1 GGAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc([C@@H](N)N=O)cc3[nH]2)C(F)(F)C1 587132849 VVHKFWONODLKGW-MFKMUULPSA-N 381.383 3.256 0 1 GGAF CCCCOc1cc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2cc1Br 587971286 YDAQCDAUCJNYBW-STQMWFEESA-N 397.225 3.003 0 1 GGAF COc1ccc([C@@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587810656 UCROHNGREVAHGF-MLCYQJTMSA-N 394.240 3.459 0 1 GGAF COc1ccc(-c2ccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c(O)c2)cc1OC 587925934 FOJUUBQFTGAIDE-UHFFFAOYSA-N 397.822 3.427 0 1 GGAF COc1cc2cc([C@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)cnc2cc1OC 962904967 XVLJFKFJEDEAAX-FXAWDEMLSA-N 382.391 3.079 0 1 GGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccccn1)C1C[C@@H]2CC[C@H](C1)N2 963614671 YJWMJVQGFMKNHO-KGZOBGMQSA-N 393.531 3.407 0 1 GGAF COc1cc(OC)c2cc([C@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)cnc2c1 962905306 ZTIFOQCUCALJNN-AZUAARDMSA-N 382.391 3.079 0 1 GGAF O=C1COc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2N1 5582094 ANQBYKZRGBKZKF-UHFFFAOYSA-N 377.366 3.363 0 1 GGAF CCCN(CCc1ccc(C(N)=O)cc1)C1Cc2cc(OC)c(OC)cc2C1 13471438 POOHFULDFIUDII-UHFFFAOYSA-N 382.504 3.225 0 1 GGAF CCCn1c(=O)c2[nH]c([C@@H](C)Cc3ccc(OC)cc3)nc2n(CCC)c1=O 13861081 XXCDUJHWRBDDPB-AWEZNQCLSA-N 384.480 3.061 0 1 GGAF c1ccc2c(c1)N=C(N1CCN(C[C@H]3COCCO3)CC1)c1ccccc1S2 13861692 JQVYTKSKCOOLBH-KRWDZBQOSA-N 395.528 3.263 0 1 GGAF C[C@H]1[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206044710 CSMSECYJZZJVSE-IUTNIJSXSA-N 399.491 3.497 0 3 GGAF O=C1[C@H](F)CCCN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857644609 HGOQBSRIJKOSDE-RHSMWYFYSA-N 376.378 3.394 0 1 GGAF NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1ccnc(CCC(=O)O)c1 1857761510 YTJFXONMFGIZSP-UHFFFAOYSA-N 393.321 3.040 0 1 GGAF O=C1Nc2ccccc2[C@@](O)(C(=O)NCc2ccco2)N1c1ccc(Cl)cc1 3665855 DMEMOPDHXIIVRV-HXUWFJFHSA-N 397.818 3.447 0 3 GGAF O=C(CCC(=O)N1C[C@H]2CCCN2c2ccccc21)NCc1ccc(F)cc1 6914763 OREDDAJDIPFBOC-GOSISDBHSA-N 381.451 3.238 0 1 GGAF O=C(Nc1cccc(F)c1)c1cncc(NS(=O)(=O)c2ccc(F)cc2)c1 21748359 MRJLYNQYTPPPNF-UHFFFAOYSA-N 389.383 3.413 0 1 GGAF O=C(c1nc2cc3[nH]c(=O)oc3cc2[nH]1)N1CCC(Cc2ccccc2)CC1 28604137 SSZRFQWMCGQPQL-UHFFFAOYSA-N 376.416 3.092 0 1 GGAF Cc1csc([C@@](C)(O)c2nnc(NC(=O)Cc3c(F)cccc3F)s2)n1 103283799 LBTQISHPRWJOLN-MRXNPFEDSA-N 396.444 3.018 0 1 GGAF COc1cc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)c(C)o2)ccc1F 20995292 FZCMPDKHSSARRV-UHFFFAOYSA-N 399.422 3.349 0 3 GGAF CCCCCC=CC[C@H](O)[C@H](O)C=C[C@@H]1C[C@@]1(O)[C@H]1CCCCCC(=O)O1 2356804141 XREMQJFWBLOXAM-BEZXDORVSA-N 380.525 3.418 0 1 GGAF Cc1nc(-c2ccccc2Br)cc([C@@H]2CN3CC[C@H]2C[C@H]3CN)n1 2356831488 JPOMWEPMWWVITN-OFQRWUPVSA-N 387.325 3.351 0 1 GGAF COc1ccc(Br)c(C(=O)N2CCC[C@]2(C)C(=O)NCC(C)C)c1 61907002 ZSDLJSNRSLLPHT-GOSISDBHSA-N 397.313 3.225 0 3 GGAF C[C@H]1CC[C@@H]2[C@]3(C)CO[C@@H](C)O[C@H]3CC[C@@]2(C)[C@@]12CC[C@](CO)(CCO)O2 504679279 QZOBEYQBKBPACE-WMZPGNLOSA-N 382.541 3.263 0 1 GGAF biogenic CS(=O)(=O)c1ccc([C@H](CC2CCOCC2)C(=O)Nc2nccs2)cc1 38796388 HMJAUNHXYJKDGD-INIZCTEOSA-N 394.518 3.086 0 1 GGAF Ic1cccc(O[C@@H](c2ccccc2)[C@H]2CNCCO2)c1 45255130 DUYCYXZOEGDUNB-SJORKVTESA-N 395.240 3.400 0 1 GGAF in-vivo CN1C(=O)[C@@](c2ccncc2)(c2cccc(-c3cc(F)ccc3F)c2)N=C1N 49070014 RKYFABJLGJZOBA-OAQYLSRUSA-N 378.382 3.057 0 1 GGAF in-vitro NC1=N[C@]2(CO1)c1cc(-c3cccc(F)c3)ccc1OC1(CCC1)C21COC1 149404409 AORINRZTSWKVOX-JOCHJYFZSA-N 380.419 3.365 0 1 GGAF COc1cccc(-c2c3c(nn2C)CCc2cnc(Nc4cnn(C)c4)nc2-3)c1 141185194 GOMOOEIKUSAZAQ-UHFFFAOYSA-N 387.447 3.128 0 1 GGAF Nc1nccn2c1c(-c1ccc(O[C@@H]3CCCCO3)cc1)nc2[C@H]1C[C@@H](O)C1 261077281 BCBZMCJUHJMXOO-HLLBOEOZSA-N 380.448 3.122 0 1 GGAF CC(=O)OC[C@@H](O)[C@](O)(CO)[C@@H]1C[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@@]32C)C1 473088000 HDYYOZGCKVOQKY-DCCLSMNISA-N 396.568 3.293 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(C(N)=O)c2)N1 587749988 QYAQLJHUPHPTBG-DYBLOJMWSA-N 393.256 3.190 0 1 GGAF COC(=O)C(=O)c1c(-c2ccc(OC(F)F)cc2)[nH]c2c(C(=O)O)cccc12 587637438 IYUJKAZDZMHHCU-UHFFFAOYSA-N 389.310 3.490 0 1 GGAF N=c1[nH]c2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc-2c(Cl)[nH]1 586916228 WXWCXAUNSBDKAG-UHFFFAOYSA-N 381.779 3.139 0 1 GGAF COc1cccc2c1NC(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587788986 BAIRYKJJBQCLTE-NIVTXAMTSA-N 391.240 3.327 0 1 GGAF O=S(=O)(c1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1)C(F)(F)F 586905036 XPLBMSZJYMXHSL-SWLSCSKDSA-N 382.363 3.425 0 1 GGAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cncnc4[nH]3)CC2)cc1 586955108 LBFFLFXSWVSTCL-UHFFFAOYSA-N 385.493 3.045 0 1 GGAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ncc[nH]c-3n2)c1 587049353 HDOUAEHMXHHMSW-SREVYHEPSA-N 384.827 3.348 0 1 GGAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C(=O)O)c(F)cc2[nH]1 587064614 DIFITCBOAUPMME-UHFFFAOYSA-N 378.743 3.454 0 1 GGAF COc1cc2c3c(c1)OC1(C[C@H]4COC[C@@H](C1)N4Cc1ccccc1)[C@@H](C2)C3=O 587437410 ZSYXGZKZBCRXAQ-VHRLQUOJSA-N 391.467 3.245 0 1 GGAF COc1cccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c12 586935046 GAIYUHDFAUQJID-OAHLLOKOSA-N 391.518 3.344 0 1 GGAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cccc(C(N)=O)c3[nH]2)c1 587203969 SHHFXBVBXQRPQM-UHFFFAOYSA-N 379.420 3.179 0 1 GGAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cncnc4[nH]3)c2)cc1 586930437 DMCWUUXVFJETBA-UHFFFAOYSA-N 379.445 3.153 0 1 GGAF C[C@]1(CN)CCc2ccccc2[C@@]12c1c(Cl)ccc3c1CCN2[C@H]3C(=O)O 962573210 MXZBXCBTUHNODQ-CEMLEFRQSA-N 382.891 3.492 0 1 GGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(Cc3cccc(Br)c3C2)N1 962907715 IPKAIUQKCKNONN-WMZOPIPTSA-N 376.225 3.181 0 1 GGAF CC(=O)Nc1cccc2c1[C@@]1(CC2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962717579 VBSTVNITQOHHKG-XLIONFOSSA-N 388.389 3.481 0 1 GGAF COCC[C@]1(C)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963143013 QPRBBBKAUBEUCM-JOCHJYFZSA-N 384.476 3.236 0 1 GGAF CCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C3(O)CCC3)ncc12 1772625902 AXSIPRLMFTWICM-KRWDZBQOSA-N 381.436 3.134 0 1 GGAF CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cc(C)on2)c1F 1772571891 BXJIJHBQNNJIMW-NOZJJQNGSA-N 381.835 3.311 0 1 GGAF CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc([C@@H](O)CNC(C)(C)C)c1 1772620389 MQNIMNOIMYBNPW-KRWDZBQOSA-N 395.500 3.009 0 1 GGAF Cc1cc(NS(=O)(=O)c2ccc(-n3sc4ccccc4c3=O)cc2)no1 5889081 KHPVFQXIDLWSKT-UHFFFAOYSA-N 387.442 3.149 0 1 GGAF Cc1cc(C(=O)NC[C@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)no1 12457596 ZIVDVVDGKWZMML-CYBMUJFWSA-N 391.855 3.007 0 1 GGAF CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(OC)cc3)N2C1=O 13527960 KDQQWNPWUITYOC-QUCCMNQESA-N 375.428 3.475 0 1 GGAF C[S@](=O)CCCCNC(=S)SC1CCN(C(=O)OC(C)(C)C)CC1 1857535024 DTSUQZZULRVNHZ-DEOSSOPVSA-N 394.628 3.152 0 1 GGAF Cc1c(C(=O)N[C@H](C)c2ccccc2)sc2ncnc(N3CCOCC3)c12 2911661 PAGHZMWVIBSHIF-CQSZACIVSA-N 382.489 3.327 0 1 GGAF CCCCOc1ccc(C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)CO3)cc1 28001406 OKPACELMVBBRER-QGZVFWFLSA-N 395.419 3.143 0 1 GGAF CCCCCCN1C[C@H]2[C@@H](C1)[C@]2(C)c1cccc(NS(=O)(=O)CCOC)c1 102949020 PYEHXIXWXPNFCN-AERCQKQUSA-N 394.581 3.474 0 1 GGAF CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2cnn(C)c2)n1 114358113 XZHYHEBYHZWYRX-OAQYLSRUSA-N 389.463 3.471 0 1 GGAF CCC(C)=CC(=O)O[C@@H]1CC=C2C[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@H]1C 2356506889 RDBSDZCKXOOWMU-DQLUXGLISA-N 390.476 3.208 0 1 GGAF CC[C@H](c1ccccc1)c1n[nH]c2c1CN(C(=O)COc1cccnc1)CC2 23129187 WLXLCDIDNWCVJY-GOSISDBHSA-N 376.460 3.310 0 1 GGAF CCCCN1C[C@H](COCc2ccccc2)Oc2ccccc2S1(=O)=O 61944809 RJJKLKACKMUEJT-GOSISDBHSA-N 375.490 3.455 0 3 GGAF COc1ccc(/C=C\c2cc(F)c(OC)c(OC)c2)cc1OP(=O)(O)O 35801062 TZWLYALVFLQYGM-PLNGDYQASA-N 384.296 3.493 0 1 GGAF CCCCOc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 73138703 RNTXBYMCMBDSJK-UHFFFAOYSA-N 389.477 3.196 0 1 GGAF CO[C@H]1O[C@H]([C@@H]2c3cc4c(cc3CCN2C)OCO4)c2ccc3c(c21)OCO3 1911581391 UYKOVOXFSYCDFP-ZJOUEHCJSA-N 383.400 3.090 0 1 GGAF Cc1cccc2cc([C@@H](C)Nc3nc(=O)[nH]cc3N)n(-c3ccccc3)c(=O)c12 88345970 BRHIZWRBMMHJEG-CQSZACIVSA-N 387.443 3.138 0 1 GGAF C[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 40602005 LILMACHWEDUPFV-ZHRMCQFGSA-N 392.499 3.239 0 1 GGAF O[C@@H](CNCCOc1ccccn1)COc1cccc2[nH]c3ccccc3c12 96939955 UYFGCTFNEKHLMN-INIZCTEOSA-N 377.444 3.124 0 1 GGAF COC(=O)c1cc2nc(COc3ccc(Br)cc3C)[nH]c2cn1 586981303 ONCIUTOTFJVPQV-UHFFFAOYSA-N 376.210 3.394 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC[C@H]2CC(C(N)=O)C1 587740327 ANFWYSUUEOQATF-YUZVYBAXSA-N 381.289 3.239 0 1 GGAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 586951403 LTRAWJFYATUKED-UHFFFAOYSA-N 376.385 3.385 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccco1)CC2=O 587476390 BVPZDOPLGVLUSZ-NRFANRHFSA-N 386.400 3.321 0 1 GGAF CCS(=O)(=O)c1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2c1 587162803 LPVPBRVMRLCHMM-UHFFFAOYSA-N 375.425 3.067 0 1 GGAF COC(=O)c1cc(Cl)c2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc2c1 586953369 SRXKZMXABNYSIJ-UHFFFAOYSA-N 399.900 3.001 0 1 GGAF CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962915872 VRACXGGICHPLGZ-LDBYXDLTSA-N 392.471 3.429 0 1 GGAF Cn1cc(-c2cc3ccccn3c2[C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cn1 962906777 ZDRHUSJFQYXWIC-PMACEKPBSA-N 390.418 3.167 0 1 GGAF O=C(O)c1cccc2c1CCN[C@]21CCCN(C(=O)Oc2ccccc2)CC1 963131249 MTCWSCMLGNMIMC-QFIPXVFZSA-N 380.444 3.411 0 1 GGAF COc1ccc(OC)c(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)c1 2145766 VYLRAIXPHFLMOC-JOCHJYFZSA-N 391.427 3.425 0 1 GGAF biogenic CCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)nc([C@@H](C)O)c12 1772640835 BYQKNHJROMCPPW-GHMZBOCLSA-N 387.415 3.432 0 1 GGAF CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3nccs3)c(F)c2)C(=O)O1 13648807 OQNBLVTWKOOOKT-NOAOUHAHSA-N 379.388 3.211 0 1 GGAF C[C@@H]1CC[C@@H]2C(=O)N3CCC[C@H]3C(=O)N2[C@@H]1c1ccc(Br)cc1 13782975 OPKHASDRVSLFHV-CAPXZKIUSA-N 377.282 3.122 0 1 GGAF COCCn1c(=O)c(-c2cccs2)nc2cnc(OCc3ccccc3)nc21 4238209 RXUODGUHFUWEGU-UHFFFAOYSA-N 394.456 3.140 0 1 GGAF COc1ccccc1N=c1[nH][nH]c2ccc(NC(=O)[C@H]3CCC[C@@H](N)C3)cc12 1857746354 HIDWMKJBUOIBEK-UONOGXRCSA-N 379.464 3.193 0 1 GGAF CCCCc1nc2c(=N)[nH]c3cc(C(=O)OC)ccc3c2n1C[C@H](C)OC(C)=O 1857749967 XFEXVUXKBDTPGU-LBPRGKRZSA-N 398.463 3.078 0 1 GGAF Fc1cccc2c1c(N1CCOCC1)nc1c(-c3cc(C4CC4)no3)ncn12 598634 LTGJBZSFPNAUIP-UHFFFAOYSA-N 379.395 3.391 0 1 GGAF investigational COC(=O)c1ccc(Cl)cc1NC(=O)Nc1nnc(N2CCCC2)s1 6768906 KTORLJYYVMOARZ-UHFFFAOYSA-N 381.845 3.222 0 1 GGAF CC[C@H](C)[C@@H]1Nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2NC1=O 6785585 XGCVCZCMGITBDB-BUXKBTBVSA-N 381.432 3.124 0 3 GGAF COc1ccc2[nH]nc(NC3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 28529490 DMPZBWPVTPYXNU-UHFFFAOYSA-N 380.448 3.377 0 1 GGAF F[C@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@@H]1OCc1nc2ccccc2[nH]1 2356465123 HIMROJUCPLVJCM-YWZLYKJASA-N 383.423 3.073 0 1 GGAF CCCC[C@@H]1[C@H]2C[C@@H]3[C@H]4C(=C[C@@H](CN31)O2)OC(=C1OC(=O)C(C)=C1OC)[C@@H]4C 2356471323 OWMYSJJZAWEDSL-XACBQSNXSA-N 387.476 3.256 0 1 GGAF O=C1CCCC(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 28876249 RGMHIFQLKSXUQM-UHFFFAOYSA-N 397.441 3.147 0 1 GGAF O=C(NC1CCCC1)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72185906 HGTQTGFHVUOXBW-HXUWFJFHSA-N 399.926 3.489 0 1 GGAF COc1ncccc1CNC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1 219752719 FQJBOHUVJQPVHH-UHFFFAOYSA-N 389.419 3.054 0 1 GGAF COc1cc(-c2c(O)cc3c(c2C)[C@H](c2ccc(O)cc2)CC(=O)O3)oc(=O)c1 13461437 IZLDEMGPMNPSSR-HNNXBMFYSA-N 394.379 3.476 0 1 GGAF biogenic COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4C[C@H](C)O[C@H](C)C4)ncn3)c2c1 220996867 IEERBLYMTRWJSD-ZNMIVQPWSA-N 397.479 3.047 0 1 GGAF COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(-c3cc[nH]c(=O)c3)cc1N2 87612883 CBNPXWXQUKTIIL-UHFFFAOYSA-N 375.384 3.067 0 1 GGAF CCCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195142747 ZQHVKFMMNIRWPN-BSJHOTPDSA-N 395.499 3.006 0 1 GGAF CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)co2)CC1 147401366 YHQARGJPWMROBH-PHIMTYICSA-N 383.436 3.382 0 1 GGAF O=C(C1CCC1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccccc1)C2 95794441 JYAYPIAZLLLZGG-FCHUYYIVSA-N 376.500 3.028 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(OC4CCC4)ncn3)C2)cc1 261163895 RJUGMBHARYHEMF-MGPUTAFESA-N 396.491 3.263 0 1 GGAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)ncc2[nH]1 586936004 LAYZZJXBJLWJGF-GFCCVEGCSA-N 396.925 3.384 0 1 GGAF C[C@@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1cccn1 587656195 HHAIOXYYOZBDNW-LBPRGKRZSA-N 380.354 3.440 0 1 GGAF CCOC(=O)c1cc2c(nc1O)CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587393912 BPLCDYJTDSBHHF-NRFANRHFSA-N 382.416 3.052 0 1 GGAF CCOC(=O)[C@@]1(CC(N)=O)CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587508008 FCBLFSHDGVZODW-GOTSBHOMSA-N 399.487 3.268 0 1 GGAF Cn1nc(Br)c2c(-n3nc4cc3Oc3ccc(F)cc3-4)ncnc21 587872616 PMBNNQIUYJMCOH-UHFFFAOYSA-N 387.172 3.223 0 1 GGAF CNC(=O)Oc1cccc2c1OC(C)(C)[C@]21CC(=O)c2cc(C)cc(N)c2O1 587385567 DBHNBYXDLIQUAJ-NRFANRHFSA-N 382.416 3.327 0 1 GGAF COc1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cn1 586960375 PEKRBVXVBQIAMW-QHCPKHFHSA-N 394.294 3.469 0 1 GGAF CCO[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@]12CCCO2 587608361 KIYHFQQOACIJNW-KSCDAYEDSA-N 382.412 3.451 0 1 GGAF CC[C@H](c1nc2cncc(C)c2[nH]1)n1cc(I)c(C)n1 587184398 JAUHFMPTVWPLIV-GFCCVEGCSA-N 381.221 3.375 0 1 GGAF Cc1c(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587030132 YTWXYYRALFLICU-OAHLLOKOSA-N 380.433 3.436 0 1 GGAF Cc1cc(C)n(-c2ccc([C@@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)cc2)n1 963526620 OMFLYWSNKRYCKG-RXVVDRJESA-N 377.444 3.191 0 1 GGAF COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N(C)C)CC2 5689282 NDKXARFZWSQXGE-INIZCTEOSA-N 385.460 3.297 0 1 GGAF biogenic O=C(NCCC1CCN(C[C@@H]2COc3ccccc3O2)CC1)c1ccccc1 12356273 JXRCQDARHHCZDE-HXUWFJFHSA-N 380.488 3.359 0 1 GGAF CCOc1ccc(N=c2[nH]c3nonc3[nH]c2=Nc2ccc(OCC)cc2)cc1 1857540291 PZOGEDRTDWIIOC-UHFFFAOYSA-N 392.419 3.141 0 1 GGAF NCc1cccc(-c2cccc(C(=O)Nc3ccccc3Cc3nn[nH]n3)c2)c1 1857597897 PKDKOSIWMOODMT-UHFFFAOYSA-N 384.443 3.169 0 1 GGAF Cc1c(-c2ccc(N3CCNCC3)cc2)cncc1-c1ccc(C(N)=O)c(F)c1 1857611072 SLVUSGRZIHABCV-UHFFFAOYSA-N 390.462 3.372 0 1 GGAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 3873165 JQYLIGHHVGCTPR-QYYLXQLASA-N 384.520 3.495 0 1 GGAF Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1 4001698 YOIGDNQMUUNNLE-SJKOYZFVSA-N 391.493 3.401 0 3 GGAF O=S(=O)(N[C@@H]1[C@@H]2CCCC[C@@]1(C1=NCCN1)CC2)c1ccc(Cl)s1 29128364 OLLQXCBDIMYQRB-DJSGYFEHSA-N 387.958 3.021 0 1 GGAF O=C(c1ccoc1)N1CCN2C(=O)c3ccncc3[C@@]12c1ccc(Cl)cc1 115091701 XEVBUKWSTVBPQI-FQEVSTJZSA-N 379.803 3.141 0 1 GGAF O=C(Nc1cccc(F)c1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 62178747 GFJNZKSBXZXYHT-SLDRDFCHSA-N 376.387 3.390 0 1 GGAF O=S1(=O)Nc2ccccc2N1C1CCN([C@H]2CCc3ccccc3C2)CC1 28384791 DJOPZHXRTIWCKX-IBGZPJMESA-N 383.517 3.185 0 1 GGAF CNC(=O)c1ccc2c(c1)CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117624379 YHKFCHQCQHOVQZ-RXVVDRJESA-N 388.471 3.257 0 1 GGAF Cc1ccc(CN2CCN([C@@H]3CCc4cccc5c4N(CC5)C3=O)CC2)cc1 22454047 VKKGUQYWMBPDPR-JOCHJYFZSA-N 375.516 3.017 0 1 GGAF CCN(CC)CC(=O)Nc1ccc([C@H]2NC(=O)C(C)(C)c3ccccc32)cc1 33823686 TWPRYSGEVCQCJL-OAQYLSRUSA-N 379.504 3.464 0 1 GGAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CNC[C@@H]1c1ccc(F)cc1 49110547 UEICCWGZYSXNNK-HZPDHXFCSA-N 385.826 3.262 0 1 GGAF CC1(C)NC(=N)NC(=N)N1OCCSCc1cc(Cl)sc1Cl 45230118 DRROUXAQMSMAMI-UHFFFAOYSA-N 382.342 3.320 0 1 GGAF Cc1nn(C)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O 220159366 LKHKHWRBQLPSBP-QGZVFWFLSA-N 382.851 3.139 0 1 GGAF CC(=O)O[C@H]1C[C@](C)(O)/C=C/C[C@H](C)CC(=O)CC2=C[C@@H](OC2=O)[C@@H]1C(C)C 138471500 TUNXVTXNCGWNAQ-FRJFJWACSA-N 392.492 3.129 0 1 GGAF COCCCNC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccco1 82141834 SGQFDEFYKNQBQC-UHFFFAOYSA-N 398.438 3.297 0 1 GGAF OCCn1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 141929126 ATVQODSMTYLUGV-GOSISDBHSA-N 378.325 3.460 0 1 GGAF CCc1oc(=O)c(Cc2c(OC)cc(O)c(C(=O)[C@H](C)CC)c2O)c(O)c1C 238774491 JPJQULLMOMCISM-SNVBAGLBSA-N 390.432 3.456 0 1 GGAF COc1ccc(-c2ccc(C(=O)N[C@@H](CO)Cc3ccccc3)cn2)cc1OC 621429320 GDBBRCVHAVGFFG-LJQANCHMSA-N 392.455 3.099 0 1 GGAF O=C1COc2cc3[nH]c(CCc4nnc(-c5ccc(Cl)cc5)o4)nc3cc2N1 587076202 LIOBTXZRNPRORG-UHFFFAOYSA-N 395.806 3.382 0 1 GGAF COC1=C[C@]2(C[C@@H](C(=O)O)C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587806984 BUFLUOKXARMWNN-NSTVUXKKSA-N 384.245 3.343 0 1 GGAF CCOC(=O)C1=CN(C2CC2)C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587518386 HDXHHNBKRDUDKW-QHCPKHFHSA-N 395.455 3.111 0 1 GGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)NCc1ccccc1Cl 587650129 YBWXOMHCVZPJJE-UHFFFAOYSA-N 376.865 3.463 0 1 GGAF COC(=O)c1ccc(N)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587581879 XMWDFMDHUYODCB-NQIIRXRSSA-N 391.379 3.464 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@@H](C2)C3=O 587443378 PWXROXWFIAIISD-YCRPNKLZSA-N 382.368 3.035 0 1 GGAF CCCc1c(O)ccc2c1O[C@H](c1cnc(N3CCN(C)CC3)s1)CC2=O 587494258 JQDMKQPXWCSOOI-KRWDZBQOSA-N 387.505 3.260 0 1 GGAF CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)n1ncc2ccc(Cl)cc2c1=O 587654704 NHROFBLMPHTIFO-AWEZNQCLSA-N 377.828 3.090 0 1 GGAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)c(Cl)c3)nc(CO)c12 1772579573 FYLYPONEOOGBJZ-MRVPVSSYSA-N 393.806 3.134 0 1 GGAF CC[C@@H]1[C@H](C(=O)O)[C@H]1[C@](N)(CC1c2ccccc2Oc2ccccc21)C(=O)O 13912558 NBAKIHCDPVZWRB-AGRCIAQPSA-N 381.428 3.453 0 1 GGAF O=C(Nc1ccccc1)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 169303522 MNPKRGHVMCTCKN-HUJIQXBTSA-N 384.435 3.496 0 1 GGAF OC[C@@H]1CCCN1c1nc2ccccc2c(=NCCc2cccc(Cl)c2)[nH]1 1857618096 BJCZMSBXABVAAH-KRWDZBQOSA-N 382.895 3.321 0 1 GGAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)N(CCN(C)C)C(=O)C[C@@H]12 6482690 NSHFMXJGYQEOFH-UGTOYMOASA-N 384.520 3.078 0 1 GGAF CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)n2c1nc1c(O)cccc1c2=O 2356427644 IHICXZWKNHGSOP-XCRHUMRWSA-N 377.444 3.103 0 1 GGAF NCCCn1cc(C2=C(c3ccc4ccccc4n3)C(=O)NC2=O)c2ccccc21 29124989 DUWWFMMKHMLCDL-UHFFFAOYSA-N 396.450 3.106 0 1 GGAF COc1cc2c(cc1OC)[C@@H](CN1CCN(c3ccccc3OC)CC1)OCC2 27883991 KBWQXGNAEDAQPP-HSZRJFAPSA-N 398.503 3.148 0 1 GGAF CC=CC=CC=C[C@]12OCC[C@@H]3OC[C@](OC(=O)c4ccccc4N)(CO1)[C@H]32 2356324181 HPYHHCISGKKBRS-LGGPRVQUSA-N 383.444 3.015 0 1 GGAF O=C(NCC1CCN(C[C@@H]2COc3ccccc3O2)CC1)Nc1ccccc1 27198108 ZMBZINVTWBFKMC-LJQANCHMSA-N 381.476 3.360 0 1 GGAF CC[C@H]1C(=O)C[C@@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)[C@@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@]12C 2356770452 SCCGQICCMKBLST-DZCPHGDLSA-N 392.536 3.108 0 1 GGAF COc1c2c(cc3c1[C@@H](CC1=C[C](N)c4ccccc4N1C)N(C)CC3)OCO2 2356834438 WIHKHQWRTCQDOH-LJQANCHMSA-N 392.479 3.216 0 1 GGAF CC(C)CCCCCC[C@@]1(O)C=C[C@H]2N(CCCCCNC(=N)N)CCCN21 2356836081 KWWMOUZIZQPDLJ-RBBKRZOGSA-N 393.620 3.229 0 1 GGAF CC(C)=CCO[C@@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35273246 OIOIVWRELMRJAD-QGZVFWFLSA-N 378.860 3.401 0 1 GGAF NC1=N[C@H](c2ccc(F)cc2)NC(NCCc2ccc(Cl)c(Cl)c2)=N1 71294557 CPBOZDBYWDDKBA-HNNXBMFYSA-N 380.254 3.237 0 1 GGAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCSC 82220243 GGRCJUMPAJSHLU-MLWNHIIHSA-N 396.597 3.388 0 1 GGAF COc1cccc(Cc2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)c1 96169566 VYVCVIIERDKJSW-UHFFFAOYSA-N 393.468 3.399 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@]32O)C1 255220943 JFRJVZILATYGJH-CESUGQOBSA-N 392.536 3.253 0 1 GGAF O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@]12C1CCOCC1 299831018 ZTKJYLCCEPZUGP-JOCHJYFZSA-N 398.409 3.156 0 1 GGAF N=c1nc(-c2ccccc2Cl)c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c[nH]1 587060524 GWINWAIYXHCYRV-INIZCTEOSA-N 379.811 3.477 0 1 GGAF Cc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1Cl 586955950 XAAIYNHZICPVJO-UHFFFAOYSA-N 390.896 3.092 0 1 GGAF CCOC(=O)Cn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578579 RHHVNXINBOAMPU-UGKGYDQZSA-N 393.395 3.460 0 1 GGAF COc1cc(OC)cc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587275474 BRIQHMXWZJNDHW-UHFFFAOYSA-N 392.205 3.331 0 1 GGAF O=C(O)Cc1ccc(Cc2nc3cccc(I)c3[nH]2)cc1 587962815 ZZZWMZYDBJFJMN-UHFFFAOYSA-N 392.196 3.385 0 1 GGAF COC/C=C/c1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@@H]1CCCNC1 1772573720 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c1ccc(CN2CC[C@@H]3CN(c4ncnc5oc(-c6ccncc6)nc45)C[C@H]32)cc1 28095986 ZRQSQJJJAAWHOY-RTBURBONSA-N 398.470 3.391 0 1 GGAF Cc1ccc(C)c(CN2CCN(CC(=O)N3c4ccccc4C[C@@H]3C)CC2)c1 22941483 GAZDGUQLDXYUCF-FQEVSTJZSA-N 377.532 3.399 0 1 GGAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(C(=O)c4ccccc4)cc3)c3c(N)ncnn32)C1 100619113 QHSWHYJGWWBFME-LBEPJEHYSA-N 399.454 3.233 0 1 GGAF O=C(O)C[C@H]1CCN(C(=O)C2CCCC2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356305853 MWPGFIMIUMNPQP-HUUCEWRRSA-N 387.455 3.374 0 1 GGAF CCc1n[nH]c(CC)c1CCN1CCC[C@@H]1c1ccc(/C=C/C(=O)NO)cc1 117080098 IZCLFFCCAARHTA-VZOQVYJPSA-N 382.508 3.433 0 1 GGAF COc1cc(C=C(Oc2ccc(C=CC(=O)O)cc2OC)C(=O)O)ccc1O 2356531621 GGCXWTMEZZGUFT-UHFFFAOYSA-N 386.356 3.012 0 1 GGAF CN1C(C(=O)Nc2ccc(Cl)cc2)=C(O)c2cc(Cl)ccc2S1(=O)=O 28105368 CLLIBIDQQBDQGW-UHFFFAOYSA-N 399.255 3.493 0 1 GGAF CNC(=O)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 26273272 LKHQKJYBQSVJAX-SFTDATJTSA-N 397.519 3.191 0 1 GGAF Cc1nc(-c2ccco2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccccn2)n1 2356861327 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587391247 LYLAFVNMYUTHRV-OAQYLSRUSA-N 378.432 3.106 0 1 GGAF CC(=O)N[C@@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(C)cc1 587216655 IQGVJCRPRWHMIT-NRFANRHFSA-N 392.503 3.123 0 1 GGAF CCCCS(=O)(=O)N[C@@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C(C)C 586933054 LZLUNGIOYSVQLA-CQSZACIVSA-N 389.424 3.301 0 1 GGAF N=C(N)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 587001810 HLHVMUYHMDHLEZ-UHFFFAOYSA-N 383.253 3.202 0 1 GGAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cccc(OCc3ccccc3)c2[nH]1 587205084 WZMONOQNRHHYRK-QGZVFWFLSA-N 394.475 3.221 0 1 GGAF CC[C@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 587394837 JNSZVDXWJZWBNT-YEJXKQKISA-N 388.464 3.475 0 1 GGAF NS(=O)(=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134124 IJQWFMYDBNTKNQ-DUXPYHPUSA-N 389.305 3.076 0 1 GGAF COC1([C@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)CCOCC1 963167120 DNJMMKDDLYKXCY-KBPBESRZSA-N 393.789 3.194 0 1 GGAF O=C(N[C@H](CO)c1c(F)cccc1F)c1ccc(-c2cn[nH]c2)c(Cl)c1 1772582282 ZMDKREPZDCSSGY-MRXNPFEDSA-N 377.778 3.472 0 1 GGAF COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O)c(OC)c4)O[C@@H](OC)[C@H]23)ccc1O 1772616175 ZYFBUTWSKJYSCG-FWMQAEDESA-N 388.416 3.163 0 1 GGAF CCOc1cc([C@@H]2NC(=O)N=C(C)[C@H]2C(=O)OCc2ccccc2)ccc1O 169687862 RUMGUDLNKZKREJ-MOPGFXCFSA-N 382.416 3.376 0 1 GGAF O=C(NC1(C(F)(F)F)CC1)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 207743357 IPAVPWDHCDYXJQ-UHFFFAOYSA-N 391.340 3.150 0 1 GGAF O=C(O)c1[nH]c2ccccc2c1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 2461783 QLIPNMDYPPTYAS-UHFFFAOYSA-N 397.862 3.411 0 1 GGAF CCc1ccc([C@H]2C[C@H]3CC[C@H](N3)[C@@H]2C(=O)OC)cc1I 6425655 BSMPOYNWUIFFDN-LUYZLQTOSA-N 399.272 3.251 0 1 GGAF CC(C)(C)NC(=O)C1=CNN2C1=N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F 104035768 UHUAZYWGILTPFY-KGLIPLIRSA-N 384.377 3.219 0 3 GGAF C[C@]1(C(=O)NCc2ccco2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61908075 PLUWANWPJASBIT-OAQYLSRUSA-N 378.384 3.080 0 3 GGAF COc1ccc(CS(=O)(=O)/C=C/c2cc(OC)c(OC)cc2OC)cc1 28965708 ROEKFUOZVPTRLB-MDZDMXLPSA-N 378.446 3.307 0 1 GGAF CCN(CCCc1ccccc1)C[C@H](O)COc1ccc2[nH]c(=O)ccc2c1 27110267 NIJSQYKRDSWMEZ-FQEVSTJZSA-N 380.488 3.223 0 1 GGAF COc1cccc([C@@H]2[C@@H](C(N)=O)C(C)=Nc3nc(-c4cccc(Cl)c4)nn32)c1 61868526 HILWEQMRKJRWJY-DLBZAZTESA-N 395.850 3.404 0 1 GGAF O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CCC(F)(F)F 95864545 BWPSJVHIGMZLPS-ZWKOTPCHSA-N 396.453 3.170 0 1 GGAF COc1cc([C@@H]2C[C@]2(CO)C(=O)Nc2ccccc2Cl)cc(OC)c1OC 95594771 XIXQDKHKMZSKKU-RNODOKPDSA-N 391.851 3.471 0 1 GGAF Cc1cc(C)n(-c2nc(Nc3ncccn3)cc(N3CCc4ccccc4C3)n2)n1 95922009 MFBJYVDXHJXRKW-UHFFFAOYSA-N 398.474 3.375 0 1 GGAF CC(C)CCNc1ccc(-c2cnc3ccc(N4CCN(C)CC4)nn23)cn1 96907654 JFUKXWQSSOLGAQ-UHFFFAOYSA-N 379.512 3.001 0 1 GGAF O=C(O)CCC/C=C\C[C@@H]1[C@H](/C=C/[C@@H](O)C2CCCCC2)[C@H]2O[C@H]1[C@H]1O[C@@H]21 253636814 BLPTUHHFIMEDBU-LTDBQDHHSA-N 376.493 3.466 0 1 GGAF COc1ccccc1OC(=O)C[C@H]1C=NN2c3cc(Cl)ccc3[N+](=O)N[C@H]12 377605799 QOYVWYKKYMNDJL-VOJFVSQTSA-N 387.803 3.021 0 1 GGAF O[C@]12[C@H]3[C@@H]4[C@@H]5[C@@H]6C[C@@H]([C@H]53)[C@@H]1[C@@H]6[C@H]4N2CCNc1ccnc2cc(Cl)ccc12 299840573 VKOVOJDEQBXENK-OVMTVTNOSA-N 379.891 3.061 0 1 GGAF Fc1ccc(-n2cc(CN3CCCN(c4noc5ccccc45)CC3)nn2)cc1 653702426 NGFZZACTYLFJMD-UHFFFAOYSA-N 392.438 3.260 0 1 GGAF COc1ccc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600142 LTAXHCNQGVRTAW-GCJKJVERSA-N 392.363 3.343 0 1 GGAF COc1ccc([C@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587810653 UCROHNGREVAHGF-MGNBDDOMSA-N 394.240 3.459 0 1 GGAF CCSCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(C)=O 584904857 AIEGOEOVERPZDG-UHFFFAOYSA-N 386.539 3.299 0 1 GGAF in-vitro CN(C)CCOc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587039760 FOGVDDVLLCUOJN-WOJBJXKFSA-N 382.533 3.450 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1nc(C(=O)OC)c3ccccn13)CC2=O 587487810 OCTJOWRFHQDOCT-QGZVFWFLSA-N 380.400 3.486 0 1 GGAF CCCS(=O)(=O)N1CCC(c2nc3c(Cl)c(Cl)cnc3[nH]2)CC1 586953168 PUHGPBZDUDEXTA-UHFFFAOYSA-N 377.297 3.184 0 1 GGAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc(N(C)C)n1 587752191 CYAPFGGPFSALQC-ABKXIKBNSA-N 379.277 3.376 0 1 GGAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc([C@@H](N)N=O)ccc2[nH]1 587038299 GOPMXUWAVONKHP-NSHDSACASA-N 375.414 3.152 0 1 GGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)NCc1ccc(Cl)cc1 587649261 OIFHZYVGQOJUCM-UHFFFAOYSA-N 376.865 3.463 0 1 GGAF CCCNS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587411397 ZKNFKYAUBOXWNB-HXUWFJFHSA-N 388.489 3.146 0 1 GGAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1 587936815 MEHBKJOLIVCHTL-ASSNKEHSSA-N 392.459 3.164 0 1 GGAF CC(C)(C)c1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 586942831 PLZGDRADTGLEKU-UHFFFAOYSA-N 392.912 3.430 0 1 GGAF CCOC(=O)c1c(C)[nH]c([C@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1C 963015731 AEAACAPQXMYVKX-RCDICMHDSA-N 381.476 3.125 0 1 GGAF CCCn1cc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c(C(F)(F)F)n1 962921775 DQAGVSVKIVXHAC-INIZCTEOSA-N 380.414 3.249 0 1 GGAF Cc1cc2c(cc1O)[C@@](CC1OCCO1)(C1CCCCCC1)N[C@H](C(=O)O)C2 963550431 LQJDFNRRCIGYGW-PGRDOPGGSA-N 389.492 3.228 0 1 GGAF CCN(CC)S(=O)(=O)c1cccc(N2CC(O)=C(c3ccccc3)C2=N)c1 1779851097 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3.219 0 1 GGAF O=C(O)c1cn(CCO)c2ccc(Oc3ccc(F)c(Cl)c3)cc2c1=O 40860784 ALBFJUXADGFSEI-UHFFFAOYSA-N 377.755 3.277 0 1 GGAF CCN(C)C(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccco1 82143083 BWVFIAGBCDJYND-UHFFFAOYSA-N 396.447 3.458 0 1 GGAF CC(C)CN(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1nccn1C 95554090 FAWWCCJOYMOACZ-UHFFFAOYSA-N 389.521 3.451 0 1 GGAF CCCCNc1ncc(C(=O)N(C)CCCC)c(NC2CCC(O)CC2)n1 98209177 XUYGOTAWDBTFJQ-UHFFFAOYSA-N 377.533 3.276 0 1 GGAF in-vitro COC(=O)c1nn(CCc2ccccc2)cc1NC(=O)CCc1ccccc1 96283144 NWRGKEXTHLEOQX-UHFFFAOYSA-N 377.444 3.484 0 1 GGAF COc1ccc(-c2ccc3c(c2)n2ncc(C(=O)c4ccco4)c2[nH][n+]3=O)cc1 377836371 ZROMELGOJUZSCU-UHFFFAOYSA-O 387.375 3.230 0 1 GGAF CN1CCN(c2ccc(-c3cc4c(Nc5ccncc5)ncnn4c3)cc2)CC1 299835585 WSJMHZDHBMBLTR-UHFFFAOYSA-N 385.475 3.287 0 1 GGAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587428902 MZQSCXJLFMNWIJ-DEEAVJJBSA-N 379.412 3.142 0 1 GGAF CCCc1c(O)ccc2c1O[C@](C)(c1ccsc1S(=O)(=O)NC)CC2=O 587481310 BENYYCUWXGGKFS-SFHVURJKSA-N 395.502 3.195 0 1 GGAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cccc(O)c2[nH]1 586946025 PYCICUOJTVUYMF-UHFFFAOYSA-N 375.431 3.069 0 1 GGAF COCCc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587772234 DZYJOHKLGYMSJC-DYZYQPBXSA-N 380.261 3.191 0 1 GGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4c(Cl)ccnc4[nH]3)CC2)cc1 586954847 JEWIOWVKLDIDDZ-UHFFFAOYSA-N 390.896 3.488 0 1 GGAF CCn1cccc1[C@]1(C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963148858 PAQFVFMURMNQJS-BFUOFWGJSA-N 391.493 3.474 0 1 GGAF CC(C)(C)NC[C@@H]1C[C@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](N)Cc1ccccc1 1772583862 PWNVMZDSVKZPKA-MHMIHQHRSA-N 387.612 3.186 0 1 GGAF COc1c(C)cnc(C[S@@](=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1C 13451986 DINJNXVAXRKZEJ-SANMLTNESA-N 381.404 3.493 0 1 GGAF C[C@H]1CN(C(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)C[C@@H](C)O1 167465502 MCHRKTCZHVBNOL-IYBDPMFKSA-N 379.460 3.484 0 1 GGAF O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(-c3cccnc3)ccc1-2 209698553 LOGTVGSQLHBGKF-SFHVURJKSA-N 375.428 3.086 0 1 GGAF CN1C(=O)c2ccnc3c(NS(=O)(=O)c4ccc(Cl)cc4F)ccc1c23 1857559244 JQJRSYBOGLUBBM-UHFFFAOYSA-N 391.811 3.418 0 1 GGAF Oc1ccc(C[C@@H](O)CN2CCC(O)(Cc3ccc(Cl)cc3)CC2)cc1 580447 CQFDLBOEYHMIAO-HXUWFJFHSA-N 375.896 3.019 0 1 GGAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2)C[C@H]2S[C@H]21 3934363 MHCZHBYADWKMCQ-FMFSFEKDSA-N 381.519 3.039 0 1 GGAF CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(Cl)c(NC=O)c1 29468921 WKNVWMZIINBICI-UHFFFAOYSA-N 398.776 3.181 0 1 GGAF COc1ccc(NC(=O)N2C[C@H](F)[C@H](OCc3nc4ccccc4[nH]3)C2)cc1 2356299860 POXLEZWBHKHVBL-MAUKXSAKSA-N 384.411 3.343 0 1 GGAF O=C(NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)n1c(=O)[nH]c2ccccc21 26253437 LISZRGLNFQGDBY-AYHJJNSGSA-N 376.460 3.083 0 1 GGAF O=C(CCO)C[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1 100636713 CIEWHPQPIFAQLZ-KDURUIRLSA-N 399.535 3.488 0 1 GGAF C=CC(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)c(O)c1 28564238 ANKRQIPZSYBSGR-UHFFFAOYSA-N 379.416 3.005 0 1 GGAF O=c1c2cc(NC(=S)NCc3cccnc3)ccc2nc2n1CCCCC2 37868533 COVXQURWHYHDMN-UHFFFAOYSA-N 379.489 3.005 0 3 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C)[C@H]1c1cccc(F)c1 72139717 XDURJVTXCZIGLL-IBGZPJMESA-N 389.448 3.369 0 3 GGAF Cc1c(C)n(C[C@@H](O)CSc2nnnn2-c2ccccc2)c2ccccc12 84705096 KRHNJABZNHNXIY-QGZVFWFLSA-N 379.489 3.387 0 1 GGAF CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(Cl)c3)c2c1 40393222 RLLHYOFPZIGEEP-UHFFFAOYSA-N 375.837 3.134 0 1 GGAF CN1[C@H]2CC[C@H]1[C@H]1COC(=O)CCSCCC(=O)Nc3ccc(cc3)[C@@H]1C2 261135276 LXDSBNMMECZLMT-VJANTYMQSA-N 388.533 3.262 0 1 GGAF C[C@H]1CCc2cc(-c3ccnc(N)n3)ccc2N1C(=O)c1ccc(O)cc1O 653667294 IJYGCXRXUFNBBX-LBPRGKRZSA-N 376.416 3.119 0 1 GGAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(O)nc(O)nc2[nH]1 586981687 SUUFJTIELOXDOV-UHFFFAOYSA-N 386.209 3.293 0 1 GGAF COC(=O)[C@@H]1C(=O)C[C@]2(C[C@@H]1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587805585 HTNRYZCRPNZILV-QXMCRVDTSA-N 398.272 3.106 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)C(F)F)cc1)[C@@H](C2)C3=O 587423986 MRLGEGUMROVONZ-LIRRHRJNSA-N 394.395 3.354 0 1 GGAF C[C@@H](NC(=O)OCc1ccccc1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651600 BMIAHECIVIBBTI-GFCCVEGCSA-N 385.807 3.005 0 1 GGAF O=C(NCc1nc2ccc(Br)nc2[nH]1)c1cc2c(s1)CCC2 587035106 OASFLRZXXVJKPB-UHFFFAOYSA-N 377.267 3.201 0 1 GGAF COc1ccc(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c(OC)c1 587650682 QVGGPBRMXVATLV-UHFFFAOYSA-N 388.445 3.149 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1cc4cc(C)c(C)cc4n4nnnc14)[C@@H](C2)C3=O 587435624 HPXQFMFFEDMEJD-YCRPNKLZSA-N 386.411 3.392 0 1 GGAF COC(=O)c1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587853852 OFXBSSXUVCMHCR-CPFSXVBKSA-N 385.258 3.455 0 1 GGAF COc1cc2c(cc1OC)[C@H](c1cccc(S(C)(=O)=O)c1)N(C)[C@H](C)C2 962629689 PRTCZHJZKXDGAW-XCLFUZPHSA-N 375.490 3.073 0 1 GGAF C[C@@]1(c2cc3ccccc3oc2=O)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963216733 AGPHNDIJDCRONN-CVDCTZTESA-N 386.407 3.204 0 1 GGAF NC(=O)c1cc(Cl)c2c(Cl)c([C@H]3CCCO3)n([C@@H]3CCCNC3)c2n1 1772586269 NPHICJWCOYEVRI-BXKDBHETSA-N 383.279 3.218 0 1 GGAF Cc1noc(C)c1-c1ccc2c(c1)[C@](N[C@@H](C)CO)(c1ccccc1)C(=O)N2 1772588772 JQGLKQWMMRCIIG-WHEQGISXSA-N 377.444 3.125 0 1 GGAF O=C(Nc1cc(CN2CCCCC2)[nH]n1)Nc1cccc2c1[C@@H]1CCCN1C2=O 12355118 QKHOBVDZCSNCEJ-KRWDZBQOSA-N 394.479 3.330 0 1 GGAF COCCc1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651125 VUIMRWGZTCIQHQ-HXUWFJFHSA-N 376.456 3.374 0 1 GGAF CC(=O)N1CCC(N(CC2CCN(C3CCCC3)CC2)C[C@H]2CCCO2)CC1 15069596 DWQHHJXACUAMSD-HSZRJFAPSA-N 391.600 3.133 0 1 GGAF COC(=O)c1nc2ccc3ncnc(Nc4ccc5c(c4)OCO5)c3c2s1 206014671 KVUCECVNHKHMIC-UHFFFAOYSA-N 380.385 3.498 0 1 GGAF CNc1nc(Nc2cnn(C[C@H](C)c3ccn(C)n3)c2C)ncc1C(F)(F)F 205708262 AFFJLGFSIVGORV-JTQLQIEISA-N 394.405 3.323 0 1 GGAF C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n21 209983366 KNOWVQTVZVKLHZ-HNNXBMFYSA-N 399.454 3.443 0 1 GGAF C[C@H](NC(=O)c1ncccn1)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1 1857754999 YBJDMEMLCKWHCW-KYNGSXCRSA-N 387.443 3.105 0 1 GGAF COC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C 601884 SIIICDNNMDMWCI-GBJTYRQASA-N 385.245 3.031 0 1 GGAF O=C(c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCSCC1 866697 QXOACJBLXRBMNS-AAEUAGOBSA-N 386.399 3.325 0 1 GGAF COc1ccc2c(n1)N(C1CCN([C@H]3C=CCCCCC3)CC1)C(=O)CC(=O)N2 114073261 NEQQBFAZUUAWQM-INIZCTEOSA-N 398.507 3.119 0 1 GGAF CN(CCCCc1ccccc1)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 28526288 UBDSKXKAGDAMGP-QFIPXVFZSA-N 391.515 3.330 0 1 GGAF COC(=O)[C@]12CC[C@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CCC=C2C(=O)O 2356604075 RIFWLYFSFDHWNO-NZHWUQRPSA-N 388.416 3.264 0 1 GGAF C[C@H]1CC[C@@H]2[C@]3(C)CO[C@@H](C)O[C@H]3CC[C@@]2(C)[C@]12CC[C@](CO)(CCO)O2 504679280 QZOBEYQBKBPACE-WTLTUAPGSA-N 382.541 3.263 0 1 GGAF biogenic CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C/C(=C\c5cncnc5)[C@@H]4O)[C@@H]3CC[C@@H]12 38459796 GJFAJAHCWGSYHL-GYXROJBQSA-N 393.531 3.470 0 1 GGAF CCOC(=O)c1c[nH]c2ccc(C)cc2c1=Nc1cccc(NS(C)(=O)=O)c1 1911583603 UDEKTKSRIVIADV-UHFFFAOYSA-N 399.472 3.257 0 1 GGAF C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 43422565 OEMKUEDWDSBGFI-ZYQHDTPFSA-N 382.500 3.277 0 1 GGAF Cc1nc2cccc(-c3cc4c([nH]3)CCN(CO)C4=O)c2nc1NC(C)(C)C 222362809 JSHFOHFQKWDTOB-UHFFFAOYSA-N 379.464 3.092 0 1 GGAF O=C(O)c1cn(Cc2cnc(-c3ccccc3)cn2)c2c(F)cccc2c1=O 45337689 NAJLMUZYIBDXSG-UHFFFAOYSA-N 375.359 3.344 0 1 GGAF Fc1cc(Cl)ccc1CN1CCC(NC2[C@H]3CC4C[C@@H]2CN(C4)C3)CC1 40891821 YMBUIWRLRIBYNI-SLJHAIIJSA-N 377.935 3.373 0 1 GGAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2nc(N)sc2C1 40848964 QXKRKYHYAGPGAN-IBGZPJMESA-N 399.608 3.117 0 1 GGAF Cc1noc(C2CN(c3cc(-c4n[nH]c5ccc(OC(C)C)cc45)ncn3)C2)n1 225558341 QOAUIUGDBHDCIN-UHFFFAOYSA-N 391.435 3.102 0 1 GGAF Nc1ncc(-c2ccc(Cl)c(S(=O)(=O)Nc3cccc(F)c3F)c2)cn1 95573012 AFVKBPLUPVLQSJ-UHFFFAOYSA-N 396.806 3.458 0 1 GGAF C[C@H](C(=O)Nc1nnc(CCCCc2nnc(N)s2)s1)c1ccccc1 95572713 AUPUZWNUYOHJCV-NSHDSACASA-N 388.522 3.279 0 1 GGAF CCOC(=O)c1[nH]cnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587788879 AMENBUKILJQXLN-SDBXPKJASA-N 382.233 3.112 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(CCc3ccc(C)c(N)c3)[nH]c2c1 587249442 ANTGLJQACSWKBP-UHFFFAOYSA-N 386.521 3.269 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(=O)c3ccnn3C)cc1)O2 587392878 WPRVYLJKNMMKMK-IBGZPJMESA-N 377.400 3.236 0 1 GGAF Clc1ncc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc-2[nH]1 587018432 AKNKHPDWCATFJW-UHFFFAOYSA-N 385.836 3.443 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCCC2)nc1 587597443 VFQKPCLEXJGJPB-NQIIRXRSSA-N 389.411 3.485 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(N)cc2C(=O)c2ccc(N)cc21 587392040 WCUNIUMVZYBEAH-QHCPKHFHSA-N 385.423 3.195 0 1 GGAF Ic1cnc2[nH]c(-c3csc4c3CCOC4)nc2c1 587032205 QMGMJCZZWNWKHQ-UHFFFAOYSA-N 383.214 3.364 0 1 GGAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC)c3)C2)cc1 1772636942 MAIRXWVYFRKWGL-OXQOHEQNSA-N 383.492 3.378 0 1 GGAF Cc1cc2ccccc2n1CCNC(=O)c1ccc(N2CCC(O)CC2)cc1 169351805 FBHICZUELRQEHT-UHFFFAOYSA-N 377.488 3.341 0 1 GGAF COc1ccc(NC(=O)C(C)(C)n2cc(NC(=O)Cc3ccccc3)cn2)cc1 205233382 ZIHVTFNFZNNSIW-UHFFFAOYSA-N 392.459 3.447 0 3 GGAF CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)c(F)c2)Cc2ccccc21 1857545209 RGMRNGJZNJWZEO-GFCCVEGCSA-N 382.844 3.056 0 1 GGAF CN(C(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1)C1CCCCC1 102044125 FBGWVNGNKQBDDE-IPZZXCBHSA-N 378.472 3.403 0 1 GGAF CS(=O)(=O)c1ccc(/C=C(/C(=O)O)c2ccc(Br)cc2)cc1 29060932 JTFOMMOBIVAERG-XNTDXEJSSA-N 381.247 3.478 0 1 GGAF Cc1ccc2c(=O)n3c(nc2c1)[C@H](Cc1ccccc1)NC(=O)c1cccnc1-3 61921462 OQIAKKGQNUCBKV-IBGZPJMESA-N 382.423 3.116 0 3 GGAF CCCCCCC(=O)N(C)CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26500629 UZWVYQKNDVAHCI-KRWDZBQOSA-N 392.521 3.388 0 1 GGAF CON1CCN(c2ccc(S(=O)(=O)c3cccc4ccccc34)cc2)CC1 28469975 GMOPCGVPTZNGHY-UHFFFAOYSA-N 382.485 3.356 0 1 GGAF COc1cc(C=CC(=O)O)ccc1Oc1cc(C=CC(=O)O)cc(OC)c1O 2356687776 APPBYCVXYSCHKW-UHFFFAOYSA-N 386.356 3.397 0 1 GGAF COC(=O)C(=Cc1cc(Br)c(OC)c(Br)c1)OC 2356727650 QKUUUDSBCUSSAW-UHFFFAOYSA-N 380.032 3.381 0 1 GGAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@H]2[C@H]1[C@@H]1C=C(C)[C@H](O)CC[C@](C)(O)[C@@H]2O1 2356789767 DRSMQQRULVTVCP-GDUPHFKNSA-N 380.525 3.226 0 1 GGAF Clc1ccc2c(c1)C(c1ccccc1)=NCc1nnc(N3CCOCC3)n1-2 39247010 BONSLPKFRDVPDL-UHFFFAOYSA-N 379.851 3.108 0 1 GGAF Cc1c(NCc2nnc(COc3ccccc3)o2)c(=O)n(-c2ccccc2)n1C 73195623 UDAGSIKRTHQVIK-UHFFFAOYSA-N 391.431 3.059 0 1 GGAF CN(C(=O)Cc1ccc(F)cc1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 71341367 GQXDJHYRFLVFCI-QGZVFWFLSA-N 394.446 3.423 0 1 GGAF CC(C)(C(=O)NCCCc1cccc(Oc2ccccc2)c1)P(=O)(O)O 40834645 AGJZDRXKAQZWEP-UHFFFAOYSA-N 377.377 3.484 0 1 GGAF in-vitro CCOC(=O)c1cnc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)nc1 96172948 QUOWEIDSUQOWBB-CQSZACIVSA-N 383.448 3.004 0 1 GGAF Cn1ccnc1CN1CCC[C@@]2(CCCCCOc3ccccc3C(=O)NC2)C1 618017279 LRKRZCQDTKIBOG-HSZRJFAPSA-N 396.535 3.385 0 1 GGAF O=C(Nc1cc2ccccc2cn1)C1CCN(c2ccnc3nsnc23)CC1 299825463 YKCWWWZVMFVPSQ-UHFFFAOYSA-N 390.472 3.490 0 1 GGAF COC(=O)c1cccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c12 587093532 GCYMXAUQXGRTAV-OAHLLOKOSA-N 385.367 3.107 0 1 GGAF CCS(=O)(=O)c1ccccc1-c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 586921547 CBVIGQILLJZQQK-UHFFFAOYSA-N 378.837 3.464 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)OC(C)(C)C2)N1 587829324 BSZVEKGQHAYGMZ-HUTHGQBESA-N 384.245 3.485 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cccs1)CC2=O 587494248 KISGNNBDHGWZCX-HXUWFJFHSA-N 388.441 3.399 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3cnccn3)c2)N1 587760672 PTGWVPXIYHCLSM-QGHHPUGFSA-N 388.244 3.188 0 1 GGAF Cn1cccc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342193 MBPKFZRNANREKC-RXVVDRJESA-N 381.359 3.209 0 1 GGAF CCOC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581697 JCZQMRBMSPKALQ-KRWDZBQOSA-N 383.400 3.345 0 1 GGAF CC(=O)N(C)[C@@H](C)[C@@]1(c2ccc3c(c2)OCO3)NCCc2cc(Cl)ccc21 963392435 ZYRVLPHHXGEJSV-ZSEKCTLFSA-N 386.879 3.325 0 1 GGAF CCc1cnccc1[C@@]1(C)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962646102 WFHNWDDKJCBICF-RDTXWAMCSA-N 380.366 3.405 0 1 GGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](Cc4ccccc4)C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 169368284 JKQIXBQTODIBRA-PGPAFOMWSA-N 389.495 3.402 0 1 GGAF Cc1nc2cccc(-c3cc4c([nH]3)[C@@H](CCN)NC4=O)c2nc1NC(C)(C)C 222348233 YKRWZGXTOYQHJI-OAHLLOKOSA-N 378.480 3.277 0 1 GGAF O=C1CS(=O)(=O)[C@@H](c2cccc(Br)c2)N1c1ccc(F)cc1 2504248 LKFGLNSCGITWEQ-HNNXBMFYSA-N 384.226 3.048 0 1 GGAF C(=C1CCN(Cc2ccc(C3=NCCN3)cc2)CC1)c1ccc(C2=NCCN2)cc1 6535597 KXWSNXBUXUJSJP-UHFFFAOYSA-N 399.542 3.066 0 1 GGAF CC1=C(c2cccc(Br)c2)S(=O)(=O)N=C1Nc1cccnc1 9251796 AYAYMOJKKXUNFV-UHFFFAOYSA-N 378.251 3.429 0 1 GGAF O=c1c(-c2ccc(F)cc2)cccn1[C@H](CN1CC[C@@H](O)C1)c1ccccc1 13488478 VUMJGYVMLYLAEA-IFMALSPDSA-N 378.447 3.310 0 1 GGAF Cc1nnc2n1-c1ccc(Cl)cc1C(N1CCN(c3ccccc3)CC1)=NC2 27997188 IPDOPIZJLWAHKM-UHFFFAOYSA-N 392.894 3.312 0 1 GGAF CC(=O)O[C@@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 28367271 XUDPZJSYCMSVHA-HOIFWPIMSA-N 398.411 3.081 0 1 GGAF C[C@H]([C@H](O)c1ccc2c(c1)CCC(=O)N2)N1CCC(O)(c2cccc(F)c2)CC1 28952110 RRFPMVCMACNLJQ-QRQCRPRQSA-N 398.478 3.116 0 1 GGAF CCC(=O)NC[C@H]1CN(c2ccc(-n3cc4cccnc4c3)c(F)c2)C(=O)O1 40567336 RSKYJEYFRTWTNJ-HNNXBMFYSA-N 382.395 3.016 0 1 GGAF COc1cscc1C(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1 64548624 DIFUMFTVPWYGTD-UHFFFAOYSA-N 377.485 3.194 0 1 GGAF COC(=O)[C@H]1[C@@H](c2ccc(/C=C\I)cc2)C[C@H]2CC[C@H]1N2 100937119 GZWPHROGQGOESZ-LTPVDVCHSA-N 397.256 3.489 0 1 GGAF CCc1n[nH]c(CC)c1CCN1CCC[C@H]1c1ccc(/C=C/C(=O)NO)cc1 117080089 IZCLFFCCAARHTA-ZRFOIIEFSA-N 382.508 3.433 0 1 GGAF COc1cccc([C@@H](Nc2ccc(CC[C@H]3COC(N)=N3)cc2)C(F)(F)F)n1 139678460 FZEWETMWNQXNEA-WMLDXEAASA-N 394.397 3.452 0 1 GGAF Cc1cccnc1NC(=O)Nc1cccc2c1[C@@H]1CC3(CCN1C2=O)OCCO3 140939400 SGLFNEQEJCBMII-INIZCTEOSA-N 394.431 3.068 0 1 GGAF Brc1cccc(CN[C@H]2[C@@H]3[C@@H]4[C@@H]5C[C@@H]3[C@H]3[C@@H]2[C@@H]([C@H]53)C42OCCO2)c1 195293512 WAUBOCWMTBAXMK-ZSOARRGESA-N 388.305 3.038 0 1 GGAF O=C(NC[C@@H](c1ccncc1)N1CCOCC1)c1cccc(Cl)c1Cl 207701946 JZLRFQTYCNCPGE-INIZCTEOSA-N 380.275 3.192 0 1 GGAF CC[C@@H](C)c1nc2nc(N3CCC[C@@H](C(=O)N(CC)CC)C3)ccc2nc1O 299882880 QLKRJSKQNKYLEQ-HUUCEWRRSA-N 385.512 3.329 0 1 GGAF Cc1nc2nc(O)nc(O)c2cc1C[C@](F)(Cl)C(F)(F)Br 587368570 LUZGDRQTQXXGON-SNVBAGLBSA-N 386.555 3.179 0 1 GGAF Cc1cccc2c1C(=O)N(c1ccc(NC(=O)c3ncoc3C)c(F)c1)C2=O 653693413 DLYZISCIJYHHBS-UHFFFAOYSA-N 379.347 3.483 0 1 GGAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccc(OC)c(OC)c1C(=O)O 963583907 RSNMBHVPWQSLPF-WLRWDXFRSA-N 387.432 3.043 0 1 GGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cnc(OC)c(Br)c1 963607812 KLHJHJMYGFQZGI-QGHHPUGFSA-N 393.281 3.494 0 1 GGAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2F)cc1 1772603277 CEJFJBITCCNTOY-FQEVSTJZSA-N 395.434 3.439 0 1 GGAF Cc1cc(-c2nc3cnc(-n4ccnc4)cc3n2Cc2ccccc2)cn(C)c1=O 1772628575 CKQHDNPCTPIZHS-UHFFFAOYSA-N 396.454 3.339 0 1 GGAF CC(=O)O[C@@H]1[C@H](OC[C@H](C)C(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 2356347346 GMHDTFBUYSRCCK-JJFKOLPGSA-N 388.416 3.179 0 1 GGAF CC=C(C)C(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@@H]1OC(C)=O 2356727785 UGPGHYBHAGRUHW-OALUTQOASA-N 386.400 3.446 0 1 GGAF COc1ccc([C@@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2C)cc1Br 4035179 BMPCFTVFJUUIBJ-JKSUJKDBSA-N 390.233 3.453 0 3 GGAF CC1=C(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C2(CCC(C)CC2)OC1=O 5058799 LSINAYJHQKACRA-NXNIQBKKSA-N 385.460 3.457 0 3 GGAF OC1CCN([C@@H](c2ccc3ncccc3c2)c2nnnn2C2CCCCC2)CC1 59784905 ZVBSOIFLNCLOQY-NRFANRHFSA-N 392.507 3.273 0 3 GGAF CCCCNS(=O)(=O)/C=C/c1ccc(OC)cc1CNC(=O)OC(C)(C)C 96020280 DLRWPBNRCWIPJQ-ZRDIBKRKSA-N 398.525 3.410 0 3 GGAF Cc1c(C(=O)N2CCOCC2)sc2ncnc(N3CCc4ccccc4C3)c12 2931650 GOUBLFZHIISGOY-UHFFFAOYSA-N 394.500 3.035 0 3 GGAF Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)o1 100275927 YXZQGPJLTCMENA-ZWKOTPCHSA-N 381.359 3.472 0 1 GGAF CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118931520 HFKAIASGHCYYRR-SIKLISJLSA-N 392.536 3.253 0 1 GGAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]3O[C@@H]([C@@H]21)[C@@](C)(O)CCCC[C@@]3(C)O 2356850606 PRMSBBJFDDZXRS-GAGJQVBHSA-N 382.541 3.450 0 1 GGAF O=S(=O)(c1ccccc1)N1Cc2cc(O)ccc2[C@H](c2ccc(O)cc2)C1 26662451 LEERKNYDXARYEY-NRFANRHFSA-N 381.453 3.434 0 1 GGAF Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)O)CCOCC3)cc2)c1 27525114 HTWINGIVVREWLA-UHFFFAOYSA-N 383.444 3.497 0 1 GGAF O=S(=O)(CC1=NCCS1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 72142508 XBSMMBDQKMONKW-OALUTQOASA-N 386.498 3.091 0 1 GGAF Cc1csc(-c2nc(CCCCC(N)=O)[nH]c2-c2ccc3c(c2)OCO3)n1 73402791 NDTKKBLTRAUUOY-UHFFFAOYSA-N 384.461 3.435 0 1 GGAF COc1cc2c(cc1Oc1c3c(cc(OC)c1OC)CCN(C)C3)CN(C)CC2 14824602 MVBOPIYDGVCIDM-UHFFFAOYSA-N 398.503 3.481 0 1 GGAF biogenic COc1ccc(C2=CCNC(=O)c3c2c2cc(OC)c(OC)cc2n3C)cc1 40861935 PYWPJJWUOCMTOA-UHFFFAOYSA-N 378.428 3.379 0 1 GGAF COC[C@@]12C[C@H](CC1=O)[C@@H]1[C@@H]2ON2c3ccccc3C(=O)[C@@]12c1ccccc1 195476965 FLDNSLQVGNOXOV-CNDAIAIPSA-N 375.424 3.140 0 1 GGAF CCCS(=O)(=O)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1 20999431 WCSODLHQPQAIJK-UHFFFAOYSA-N 379.444 3.062 0 1 GGAF biogenic Cn1cc2cc(-c3cc(F)c(CN4CCn5nccc5C4=O)c(F)c3)ccc2n1 653882157 REVGZCBZSKKWOS-UHFFFAOYSA-N 393.397 3.371 0 1 GGAF CC(C)(C)OC(=O)c1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cn1 587651983 IMKUXMHWHIQHNH-UHFFFAOYSA-N 385.807 3.089 0 1 GGAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 587934337 CDYRVELFDSYUAZ-HXUWFJFHSA-N 393.468 3.399 0 1 GGAF Cc1ccc2c3c(c4c(nc13)[C@@H]1CN[C@H](C(=O)O)[C@@H]1CC4)-c1ccccc1C2=O 587096466 KAWLVSMHLAZJJR-OLPMXTGOSA-N 384.435 3.457 0 1 GGAF CCOc1ccccc1[C@@](N)(c1nc2ccc(CCO)cc2[nH]1)C(F)(F)F 587093027 QLDGZPJXTROFHK-GOSISDBHSA-N 379.382 3.261 0 1 GGAF COc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(Cl)n1 587083718 HUXFTCYAUJEYEK-UHFFFAOYSA-N 382.811 3.346 0 1 GGAF COc1ccc(S(=O)(=O)Cc2nc3cc(F)cc(Br)c3[nH]2)cc1 586920009 CSTBABZPDTUPAS-UHFFFAOYSA-N 399.241 3.447 0 1 GGAF Cc1[nH]c2c(c1C(=O)O)[C@@]1(CCC2)c2c(Cl)ccc3c2CCN1[C@H]3C(=O)O 962575802 SGXHFKIIYRYWFI-YLJYHZDGSA-N 386.835 3.252 0 1 GGAF CC[C@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12NCCc1c2c(C(C)C)nn1C 962925255 YLOWMCRWWGMTLA-QKKBWIMNSA-N 390.528 3.078 0 1 GGAF CC(C)c1nn(C)c2c1[C@]1(CC(=O)C[C@@H](c3ccc4c(c3)OCO4)C1)NCC2 962916756 FEOXTTCIWWNYFF-QRQCRPRQSA-N 381.476 3.150 0 1 GGAF C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(Cl)C(=O)C3=C(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 13386255 LTSUHZVLAVIGAM-JHUAITPVSA-N 376.836 3.394 0 1 GGAF biogenic O=C(c1cnc(N2CCN(Cc3cccc(F)c3)C2=O)s1)N1CCCCC1 205207791 SIMJASDINQLFDL-UHFFFAOYSA-N 388.468 3.351 0 3 GGAF CN1C(=O)C(NCc2ccc(Cl)cc2)=C(c2cn(C)c3ccccc23)C1=O 1857541645 QPQQLMKPQWXWGQ-UHFFFAOYSA-N 379.847 3.331 0 1 GGAF O=C(O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccccc1 26656538 ANEKRIZAZDJOJV-AWEZNQCLSA-N 387.244 3.021 0 1 GGAF Cc1ccc([C@H](OCCN2CCN(CCC(=O)O)CC2)c2ccccc2)cc1 29325608 YCZFSUXOSXWFLM-HSZRJFAPSA-N 382.504 3.193 0 1 GGAF CC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cc(-c2ccc3c(c2)OCO3)n1 66157451 DFZKDQPFJSYACC-UHFFFAOYSA-N 377.356 3.226 0 1 GGAF CCC[C@@H]1CN2C(=O)N(CCC)c3[nH]c(C45CCC(O)(CC4)CC5)nc3C2=N1 36273987 JCBAUDKLFNYKJP-OZJRSANCSA-N 385.512 3.327 0 1 GGAF CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(C(=O)N(C)C)ccc2c1=O 72106590 PYKNYMUVYDCMHX-UHFFFAOYSA-N 377.488 3.485 0 1 GGAF COc1cc2nc(N3CCOCC3)nc(NCc3ccccc3)c2cc1OC 82126736 GESHLOYBDNPMGD-UHFFFAOYSA-N 380.448 3.096 0 1 GGAF CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4ccccc4)cc23)CC[C@]1(C)N 221495367 DIFGSGNUHRNWPK-GCJKJVERSA-N 377.492 3.418 0 1 GGAF CC(C)=C1C=C(/C=C/[C@@H]2[C@@]3(CC[C@H]4[C@@]2(C)CC[C@@H](O)[C@@]4(C)CO)CO3)C(=O)O1 40763064 AKMADDQEKVSZMA-HKZZKKDUSA-N 388.504 3.275 0 1 GGAF Cc1c(-c2ccc(N3CCN(C)CC3)cc2)c(=O)oc2c(C=O)c(O)c(F)cc12 221059993 QAYJYXRNLIDJAY-UHFFFAOYSA-N 396.418 3.177 0 1 GGAF C/C=C/c1ccc([C@@H]2[C@H](CO)N3C(=O)CN(Cc4ccc(C)cc4)C[C@@H]23)cc1 95795672 BTBGJPBJMAHVIJ-DIDHVQRPSA-N 376.500 3.199 0 1 GGAF CC(C)Nc1c(C(N)=O)cnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc12 95591923 JZGUOMOIPAOOAG-UHFFFAOYSA-N 383.473 3.225 0 1 GGAF O=C(NCc1cncc(F)c1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1 96271696 SYEBAIPAXRFBFO-UHFFFAOYSA-N 385.420 3.375 0 1 GGAF CO[C@@H](C)COC1CCC(c2nc3ccc(CN4CCOCC4)cc3[nH]2)CC1 587952973 YIKGNNDSIFUOTI-IVMQYODDSA-N 387.524 3.473 0 1 GGAF Cc1c(Br)cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2c1C 586931662 IILWWPNDAVZMFB-UHFFFAOYSA-N 398.282 3.453 0 1 GGAF O=C(O)Cc1ccc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 587960869 GFWAICKKQPGCTI-UHFFFAOYSA-N 398.362 3.074 0 1 GGAF COc1cc(-c2nc3nc(Br)c[nH]c-3n2)nn1-c1ccccc1F 587155777 HCJCKIAPJUFFLM-UHFFFAOYSA-N 389.188 3.067 0 1 GGAF Oc1nc(NCc2ccccc2)c2nc(C3=Cc4cccc(O)c4OC3)nc-2[nH]1 586907717 JFMBHPBYWGWYQL-UHFFFAOYSA-N 387.399 3.261 0 1 GGAF Cc1csc([C@@](O)(Cc2nc3cc4c(cc3[nH]2)OCCCO4)C(F)(F)F)n1 587094748 UWYXXHFVKFBFLJ-INIZCTEOSA-N 399.394 3.482 0 1 GGAF COc1ccccc1[C@]1(c2ccnc(C)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962897589 KYZKGALZIQOSLA-CVDCTZTESA-N 392.430 3.429 0 1 GGAF NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 13672445 LZNPOWSAOJXPIZ-UHFFFAOYSA-N 384.827 3.258 0 1 GGAF COc1cccc(CC(=O)Nc2cnn(C(C)(C)C(=O)Nc3ccccc3)c2)c1 206019294 ASNJJGOFYQSTHJ-UHFFFAOYSA-N 392.459 3.447 0 3 GGAF O=C(Nc1ccc(C(=O)N2CC[C@H]3COC[C@H]3C2)cc1)N1Cc2ccccc2C1 166138082 MNOTXRADYLCPIP-VQTJNVASSA-N 391.471 3.343 0 1 GGAF CC(=O)N1CCC(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)CC1 1857606220 VZIGJUWTUQTTDX-UHFFFAOYSA-N 379.416 3.499 0 1 GGAF CC[C@H]1Cc2cc(OCC(F)F)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857774903 RXPGGSWAEXBXNH-NSHDSACASA-N 379.359 3.373 0 1 GGAF O=[N+]([O-])C(=C(N1CCCCC1)N1CCCCC1)/C(Cl)=C(\Cl)[N+](=O)[O-] 1860606 VEKLVDNSIHENSL-QBFSEMIESA-N 379.244 3.327 0 1 GGAF COc1cc2c(cc1OC)[C@@]1(Cc3ccc4c(c3[C@@H]1OC)OCO4)N(C)CC2 2356383920 DZYSSFNYDTVPHM-FCHUYYIVSA-N 383.444 3.060 0 1 GGAF CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Br)o1)C[S@](=O)C2 4105800 XEGYXMYYRHTJGZ-JOCHJYFZSA-N 386.271 3.008 0 3 GGAF COc1cc(S(=O)(=O)c2cccc(O)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 100633114 CNJVPMHSADONCW-SJCJKPOMSA-N 398.484 3.075 0 1 GGAF CCCN(CCC)c1nc(C)nc2c1n(C)c(=O)n2-c1c(C)cc(C)nc1C 28092224 MHVVLLSTDIKUMP-UHFFFAOYSA-N 382.512 3.374 0 1 GGAF O[C@@H](c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26008648 UALIIGYAUNFWEZ-IRXDYDNUSA-N 382.222 3.345 0 1 GGAF CC(C)(C)c1nnc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)s1 218281623 LPPCYLZTZSBAHM-UHFFFAOYSA-N 383.477 3.176 0 1 GGAF CCCCn1nnnc1[C@H](C1CC1)N1CCN(C/C=C/c2ccccc2)CC1 72104811 FUKYUXJKZORQBF-CLNPQZTCSA-N 380.540 3.255 0 3 GGAF O=C1NCCc2ccc3c(c21)C[C@@H](NCCCc1c[nH]c2ccc(F)cc12)CO3 45386646 BGGVCPBLHFFERX-QGZVFWFLSA-N 393.462 3.119 0 1 GGAF COc1ccc(CNc2nc(N3CCC(N4CCCC4)CC3)ncc2C)cc1 82203815 KNHYIQQOQRUXDB-UHFFFAOYSA-N 381.524 3.470 0 1 GGAF Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2-c2ncc(C)o2)c1 82173337 MEBPUBXIVBOJNJ-MRXNPFEDSA-N 377.448 3.117 0 1 GGAF Cn1nc(N)c2c3c(c(N4CCCCC4)nc21)CN(Cc1ccccc1)CC3 49087552 SGUYQENZDHNYQM-UHFFFAOYSA-N 376.508 3.099 0 1 GGAF O=C(NCCC1=CCCCC1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 250104156 ZAAQABDTAHTAGH-GHDARCQNSA-N 398.528 3.037 0 1 GGAF COc1ccc(NC(=O)C(C)(C)n2cc(-c3nc(C)cnc3C)cn2)c(OC)c1 618008022 BPBRDICDJQPKCM-UHFFFAOYSA-N 395.463 3.348 0 1 GGAF NC(=O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587184451 UBFPBPWKIBKHSZ-QPJJXVBHSA-N 389.196 3.437 0 1 GGAF Cc1ccc(NC(=O)CSCCc2nc3c(S)nc(S)nc3[nH]2)cc1 586970635 NHIAOLYMMPSVCD-UHFFFAOYSA-N 391.547 3.153 0 1 GGAF CCOC(=O)c1c(N)sc2c1CCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450118 DPQGCOSEINSUOT-ASSNKEHSSA-N 399.468 3.495 0 1 GGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(C)cnc(Cl)c3[nH]2)cc1 587224978 LPMCQQRHFVICDK-UHFFFAOYSA-N 387.827 3.418 0 1 GGAF CO[C@@H](C)COC1CCC(c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)CC1 587951654 ICYYSKLVUVIFEM-UQPPLGOBSA-N 398.507 3.396 0 1 GGAF C[C@@H](Sc1ncccn1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586962390 RAPDTZJLRPYYBN-MRVPVSSYSA-N 388.396 3.500 0 1 GGAF Cc1cc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2cc1Cl 587203132 OFSABDZVESKATH-MRXNPFEDSA-N 387.823 3.447 0 1 GGAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(CO)cc2[nH]1 586984920 QHAQTIPYGGNBPN-KRWDZBQOSA-N 388.265 3.238 0 1 GGAF Nc1cc2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c2cc1N 587064045 KMBAUQLPQAUEME-UHFFFAOYSA-N 395.850 3.288 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2C(=O)O)N1 587769052 MJCLMIIWCYBOIN-HUTHGQBESA-N 379.229 3.479 0 1 GGAF COc1ccc(-c2c([C@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)cnn2C)cc1 963017347 CKMFJVNUEBQNJD-NYHFZMIOSA-N 388.471 3.238 0 1 GGAF c1coc(CN2CCN([C@H](c3cccs3)c3nnnn3C3CCCC3)CC2)c1 19342336 KJGLVQDIKAJMOM-LJQANCHMSA-N 398.536 3.350 0 3 GGAF O=C1Nc2cc(Br)ccc2C12CCN(c1ccc(Cl)nn1)CC2 1857585040 JJBDJINPXOEABV-UHFFFAOYSA-N 393.672 3.383 0 1 GGAF COc1cc([C@]2(O)C=CCCc3c2ccc(OC)c3OC)cc(OC)c1OC 1857590275 SGEDNIORZTXUEG-JOCHJYFZSA-N 386.444 3.468 0 1 GGAF Cc1ccc(NCc2nnc(SCC(N)=O)n2CCc2ccccc2)cc1 905023 VYJZEFBJRCPZNJ-UHFFFAOYSA-N 381.505 3.019 0 3 GGAF OCC[C@H]1CN(Cc2nc3c(s2)CCCC3)CCN1CCc1ccccc1 20472410 RSSRUCGDWNZECU-IBGZPJMESA-N 385.577 3.133 0 3 GGAF CCN1CCN(C(=O)c2sc3ncnc(N4CCCC[C@@H]4C)c3c2C)CC1 58176048 QELIQWUAUMHWOF-AWEZNQCLSA-N 387.553 3.156 0 1 GGAF COc1ccc([C@@H]2OC(c3ccc(N(C)C)cc3)=NN2C(C)=O)c(OC)c1OC 27518617 OBRPHHUADXKYNX-NRFANRHFSA-N 399.447 3.018 0 1 GGAF CC(=O)N1N=C(c2c(O)n(C)c3ccccc3c2=O)C[C@H]1C=Cc1ccccc1 2356814272 BZICNIPIJILJSQ-QGZVFWFLSA-N 387.439 3.282 0 1 GGAF COc1cc(OC)nc(Nc2nc([C@@H](N)c3ccccc3Cl)cs2)n1 61906731 FZYLPZHXFIFXQB-AWEZNQCLSA-N 377.857 3.395 0 3 GGAF O=c1cc(-c2ccc(I)cc2)oc2cc(O)cc(O)c12 72181729 NAMLIVNJQKOMQA-UHFFFAOYSA-N 380.137 3.476 0 1 GGAF Cc1c([C@@H]2NS(=O)(=O)c3ccccc32)c2cc(Cl)ccc2n1CC(=O)O 49035513 MQFYWGYSTUZJSG-GOSISDBHSA-N 390.848 3.069 0 1 GGAF O=C(CCc1noc2c1CCc1cc(O)ccc1-2)NC1=C(C(=O)O)CCCC1 40414369 CEEDKNHIBNHBQW-UHFFFAOYSA-N 382.416 3.107 0 1 GGAF c1ccc(Cn2ccc3c(OC4CCN(Cc5cn[nH]c5)CC4)ncnc32)cc1 84602377 DEFYYJBNXILWEC-UHFFFAOYSA-N 388.475 3.246 0 1 GGAF CCN(CC)CCN(C(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 49916536 XUUACLBJNWOVGS-UHFFFAOYSA-N 389.521 3.047 0 1 GGAF O=C([C@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O)N1CCCC1 45317010 OMUNXMLDEXCDQI-GOSISDBHSA-N 386.835 3.071 0 1 GGAF OCCCNc1nccc([C@H]2CCCN(CCc3c[nH]c4ccccc34)C2)n1 40914015 ICPZFNKFNRZFTD-SFHVURJKSA-N 379.508 3.174 0 1 GGAF in-vitro C[C@]12CCCO[C@@H]1[C@]1(COC(N)=N1)c1cc(-c3cncc(Cl)c3)ccc1O2 145535274 XKHSLMZGDKHDCD-IHPCNDPISA-N 385.851 3.272 0 1 GGAF O=C1N(Cc2cccnc2)CCCC12CCN(c1cnc3ccccc3n1)CC2 96173101 ORBUGKQTLNFKCT-UHFFFAOYSA-N 387.487 3.434 0 1 GGAF Cc1ncccc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1 96175490 ULTWIAJZMAADKN-UHFFFAOYSA-N 385.431 3.344 0 1 GGAF Cc1ccccc1-c1nc(CN2CCC[C@H](C(=O)NC[C@H]3CCCO3)C2)c(C)o1 618007115 IIXBLWVBOZKUMB-RBUKOAKNSA-N 397.519 3.466 0 1 GGAF C=CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 621477365 IWCLVQCRDYVMOV-HNNXBMFYSA-N 394.880 3.268 0 1 GGAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc3ccccc3cc2[nH]1 587227734 UPXJGEXNSSLCDT-UHFFFAOYSA-N 388.427 3.259 0 1 GGAF Fc1c(F)c(F)c2[nH]c(-c3nccnc3I)nc2c1F 587186001 CNJHTIQJJNVAAE-UHFFFAOYSA-N 394.069 3.181 0 1 GGAF CC(=O)C[C@]1(c2cnn(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587761647 BPGVVOXNEIKPKR-BMLIUANNSA-N 380.261 3.079 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(F)ccc12 587737085 YDUKOPIJFXJEPP-QPFGOUBPSA-N 379.204 3.457 0 1 GGAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 587234315 DVZKCUDHKGHPKP-NWDGAFQWSA-N 382.395 3.082 0 1 GGAF CCO[C@@H](C)c1nc(C)c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)s1 587013864 CPHIKZDGBWQLKH-NSHDSACASA-N 394.522 3.343 0 1 GGAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2nc(Br)c[nH]c-2n1 586915453 DGFVAUJBORQWGH-APPDUMDISA-N 387.237 3.283 0 1 GGAF COC[C@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345218 YVNDUJXPBLYXPC-TZIWHRDSSA-N 382.391 3.166 0 1 GGAF Brc1cnc2c(-c3nc4ccc(Br)nc4[nH]3)cnn2c1 587006441 NPUWXOVUKMDXAQ-UHFFFAOYSA-N 394.030 3.193 0 1 GGAF Cc1c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074741 WWFNDDLHSLQIHA-UHFFFAOYSA-N 379.811 3.413 0 1 GGAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccns2)c1F 1772580001 DISYLOLDVKNHSA-JOYOIKCWSA-N 383.876 3.471 0 1 GGAF Cc1cc(=O)oc2cc(OCCCN3CCN(c4ccccn4)CC3)ccc12 13486992 YJWDNOICKTZNCG-UHFFFAOYSA-N 379.460 3.088 0 1 GGAF O=C(O)CNC(=O)C(=O)CCCCCCOc1ccc(-c2ccccc2)cc1 13553321 XMIGRRJORIZJQM-UHFFFAOYSA-N 383.444 3.453 0 1 GGAF CC(C)C(CC(=O)OC[C@@]1(CO)C/C(=C\c2ccc(O)cc2)C(=O)O1)C(C)C 13704251 JKERAVGYQRGKNA-IXNCKXOBSA-N 390.476 3.315 0 1 GGAF CCOC(=O)[C@@]1(C)N[C@H](c2ccc(O)cc2)c2c1c(O)n(-c1ccccc1)c2O 169690072 ZYFJGXGUXWEZIS-GCJKJVERSA-N 394.427 3.065 0 1 GGAF Cc1cnc(CNC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)o1 167108723 WAINGHMRPZCBEP-UHFFFAOYSA-N 376.416 3.461 0 1 GGAF O=C(Nc1cccc(Cl)c1)C1=COC2=NC(=O)N(Cc3ccccc3)CCN12 205226895 KQHLBVXMEPQFJW-UHFFFAOYSA-N 396.834 3.444 0 3 GGAF C/C=C(\C)C(=O)O[C@H]1CC[C@@](C)([C@@H]2C=C[C@@](C)(O)CC2)O[C@@]1(C)COC(C)=O 205254382 OYQMZQOODNGOAA-JWZWSQIASA-N 394.508 3.473 0 1 GGAF OC[C@H]1CCCCN1c1nc2ccccc2c(=NCCc2ccc(F)cc2)[nH]1 1857542442 SCHPUEQTGOIIQS-GOSISDBHSA-N 380.467 3.197 0 1 GGAF COc1ccc2cc(C(=O)N[C@H]3CC[C@H](NCC(F)(F)F)CC3)cnc2c1 1857555014 JGXVDOWRYMSPCA-SHTZXODSSA-N 381.398 3.436 0 1 GGAF CNC(=O)c1cccc(-c2ccc3ncc(-c4ccc(NC(C)=O)cc4)n3n2)c1 1857577277 DMJAYWVMTKHPQC-UHFFFAOYSA-N 385.427 3.381 0 1 GGAF CN(C)C1=N[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)NC(=N)N1 1857581032 FNOWJPPYROGETC-SFHVURJKSA-N 393.882 3.236 0 1 GGAF CCOC(=O)C(C)(C)Oc1ccc(C(=O)[C@@H]2Cc3ccccc3OC2=O)cc1 1857762745 NOJSNEIWZKRZEU-KRWDZBQOSA-N 382.412 3.368 0 1 GGAF CCNC(=O)NC[C@@H]1C=C(C)[C@@H](CC(=O)NCc2ccccn2)C[C@H]1C(C)C 2356316492 QEWLSSDNSHSBHT-HBFSDRIKSA-N 386.540 3.262 0 1 GGAF Cc1ccc(-n2nc3c(c2NC(=O)Cc2ccc(F)cc2)C[S@@](=O)C3)cc1 2724849 OMAJBLTWQAVOPI-MHZLTWQESA-N 383.448 3.263 0 1 GGAF C[C@@H]1c2cc(OCCCC(=O)N(C)C3CCCCC3)ccc2NC2=NC(=O)CN21 26850465 UJUZJSOMBBIXMJ-OAHLLOKOSA-N 398.507 3.321 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CO[C@H](CC)[C@H](OC(C)=O)[C@]2(C)CC[C@](O)(C(C)C)[C@@H]12 2356441122 GERFPXQSALCMIE-HZEQZJDJSA-N 396.524 3.408 0 1 GGAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](C)c4ccoc4C[C@@H]3[C@]12C 2356605100 UAUZSKBZFMNDSP-DTGKHBIKSA-N 376.493 3.425 0 1 GGAF O=c1[nH]c2ccc(Cl)cc2c(N[C@@H]2CCNC2)c1-c1nc2ccccc2[nH]1 34804005 JRIHGYFVJLYMSJ-GFCCVEGCSA-N 379.851 3.499 0 1 GGAF COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(C(C)=O)cc1 6357064 ONSWELOJVNEFMS-LJQANCHMSA-N 379.416 3.276 0 1 GGAF biogenic CC(C)(C)OC(=O)N1CCC(Cc2cc(-c3cccnc3)no2)(C(=O)O)CC1 36384220 XESRTJMINHVHBK-UHFFFAOYSA-N 387.436 3.381 0 3 GGAF O=S(=O)(NCCCN1CC[C@H]2CCCC[C@@H]2C1)c1ccc2ncccc2c1 73169105 UFCRUQMUSOIQNF-IEBWSBKVSA-N 387.549 3.415 0 1 GGAF CCN(CC)C(=O)[C@H]1OC2(CCN(c3cc(N)ccn3)CC2)c2ccccc21 40949985 SHEDQJAJKFPZHY-FQEVSTJZSA-N 380.492 3.099 0 1 GGAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(OC(C)C)nc12 140957081 DQSXIULXVLEYIP-UHFFFAOYSA-N 395.442 3.310 0 1 GGAF O=C1[C@H]2CCCN2C(=O)N1CCCCNCCOc1ccc2ccccc2c1 96933071 ATXMAJPZWMYNTG-HXUWFJFHSA-N 381.476 3.015 0 1 GGAF CCS(=O)(=O)c1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587156984 QDANZPYNHWTDTN-LJQANCHMSA-N 387.436 3.287 0 1 GGAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cccc(NC(C)=O)c1)[C@@H](C2)C3=O 587430622 WDLWYXQCBPZAQL-BVVUSLJFSA-N 392.455 3.372 0 1 GGAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(F)cc(C(=O)O)c2[nH]1 587065498 RWYBBOMJYLCSBP-UHFFFAOYSA-N 378.743 3.454 0 1 GGAF CS(=O)(=O)c1ccc2[nH]c(-c3cccnc3)c(C(=O)c3cccnc3)c2c1 587650641 AUSSYDKREIFLIQ-UHFFFAOYSA-N 377.425 3.259 0 1 GGAF COC(=O)CCC[C@@H]1CCC[C@]2(C1)N[C@H](C(=O)O)Cc1cc(C)c(O)cc12 963473189 SDSOZRIAZCOEEB-DAESXHAQSA-N 375.465 3.028 0 1 GGAF COc1ccc(C(=O)O[C@@H]2C=CO[C@@H](C)[C@H]2OC(=O)c2ccc(OC)cc2)cc1 5810396 OEHLTPIDZCHVKH-VHKYSDTDSA-N 398.411 3.387 0 1 GGAF Cc1cccc(C(=O)N2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)n1 12161757 URBUKNXWHJMSKX-UHFFFAOYSA-N 391.393 3.284 0 1 GGAF COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)o2)CC1 13743849 JXDSOXXEBRBDKD-UHFFFAOYSA-N 383.492 3.123 0 1 GGAF COc1ccccc1/C=C1\CNC[C@@H]2C1=NC(=O)N[C@H]2c1ccccc1OC 169730013 KVPXGHJEZWPAPE-ZWPJVJPNSA-N 377.444 3.212 0 1 GGAF Cc1ccc(CSc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)cc1 1857595592 MJQXBXMOKJTIBS-KRWDZBQOSA-N 380.469 3.048 0 1 GGAF COc1ccc2c(OCc3nnc4sc(-c5ccc[nH]5)nn34)ccnc2c1 1857628822 CXFZCYJLYMEVPT-UHFFFAOYSA-N 378.417 3.317 0 1 GGAF O=C(O)c1ccnc(-c2cn(CCNCc3ccccc3C(F)(F)F)cn2)c1 225938946 OQLLMIKQRVHOSV-UHFFFAOYSA-N 390.365 3.452 0 1 GGAF O=C(O)C[C@@H]1CCN(Cc2ccccn2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356302666 LJCRJVBGLBOGBY-LSDHHAIUSA-N 382.439 3.253 0 1 GGAF CC(C)(C)C(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 2356349128 SKFMRUUULSNIFK-OLZOCXBDSA-N 375.444 3.230 0 1 GGAF COc1ccc(OC)c(NC(=O)CCCN2C(=S)NC(C)(C)C[C@@H]2C)c1 8690766 SVBGPDUXMRNGLY-ZDUSSCGKSA-N 379.526 3.170 0 3 GGAF O=C1CSc2cc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)ccc2N1 20509139 GPDALZKVUBPOIE-UHFFFAOYSA-N 386.498 3.209 0 1 GGAF COc1cccc([C@@](C)(O)c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1 61906419 RQHRXXNPEMLLBX-LJQANCHMSA-N 389.498 3.478 0 3 GGAF O=C(O)CCN1CCN(c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)CC1 72106017 JBAIOGDQCNHLJT-UHFFFAOYSA-N 384.520 3.457 0 1 GGAF CC(C)S(=O)(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2Cl)CC1 40892823 LREVUDJPGUCZPB-UHFFFAOYSA-N 393.336 3.060 0 1 GGAF CC(C)CCNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](C)N2 82206942 RFJSWQGHJLGQIM-INIZCTEOSA-N 392.503 3.484 0 1 GGAF C[C@H](O)c1ccc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)cc1 145197578 YCLUGUDLKDZCCR-AWEZNQCLSA-N 399.454 3.313 0 1 GGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(Cc3ccc(F)cc3)[C@H]2CNC(C)=O)cc1 95871958 LKYIBOOWNAJWFE-FNSWMDHOSA-N 382.479 3.324 0 1 GGAF Cc1ccc2c3c(c4c(nc13)CC[C@@H]1[C@@H](C(=O)O)NC[C@H]41)-c1ccccc1C2=O 587097835 SWXVOKYTGLJBPA-ODIUBACGSA-N 384.435 3.457 0 1 GGAF CCOC(=O)[C@@]1(CC(N)=O)CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587508011 FCBLFSHDGVZODW-XZOQPEGZSA-N 399.487 3.268 0 1 GGAF COC(=O)c1cc2nc(-c3ccc(F)c(Br)n3)[nH]c2cc1OC 587154611 CFKGLSZTAOJDMK-UHFFFAOYSA-N 380.173 3.322 0 1 GGAF Cc1csc([C@](O)(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)C(F)(F)F)n1 587094057 IYVQZOIHEYGDPL-TZMCWYRMSA-N 385.371 3.044 0 1 GGAF Nc1cccc(C(=O)O)c1-c1nc2cccc(I)c2[nH]1 587248826 XIZFRTAQVLOMAH-UHFFFAOYSA-N 379.157 3.115 0 1 GGAF O=S(=O)(NCc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(F)c(F)c1F 587133839 CQRWYZOQPQJXQL-UHFFFAOYSA-N 393.749 3.251 0 1 GGAF Cn1nc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(F)c1O 587154662 GIXQLVOTQDEMRG-UHFFFAOYSA-N 390.010 3.333 0 1 GGAF CCOC(=O)[C@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436684 AFTMOVKFPLJJHS-QRQCRPRQSA-N 377.396 3.383 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(C(N)=O)cc1 587861876 DHXADWLHFAYDOY-UHFFFAOYSA-N 389.333 3.365 0 1 GGAF Oc1nc(O)c2nc(COc3ccc4ccccc4c3Br)[nH]c2n1 587001063 KWJGCLSQSYJIJL-UHFFFAOYSA-N 387.193 3.259 0 1 GGAF FC(F)(F)Oc1cc2nc(C[C@@H]3COCCO3)[nH]c2cc1Br 586908929 CWKXYFPCWZZSEZ-SSDOTTSWSA-N 381.148 3.182 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1 587871725 BVJDWMMOBPUJHI-BZUAXINKSA-N 389.471 3.473 0 1 GGAF COC(=O)[C@@H]1C(=O)Cc2nc3ccc(O)c4c3c(c2[C@@H]1C)-c1ccccc1C4=O 586992721 SHGKGDZUTUARMW-YPMLDQLKSA-N 387.391 3.170 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C(/C=C\C(=O)O)=COc4ccc(F)cc41)[C@@H](C2)C3=O 587426570 DDSPCQBNDUCMTP-UFLFQIPGSA-N 394.354 3.394 0 1 GGAF O=C([C@H]1Cc2ccccc2[C@@H](c2cnc3[nH]ncc3c2Cl)N1)C(F)(F)F 962761131 GMKZBMPSHNOLLQ-OCCSQVGLSA-N 380.757 3.346 0 1 GGAF O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@@H](NC[C@@H]1CCCO1)CC3 1772590622 PPVKCYNGBYJSIK-IRXDYDNUSA-N 395.528 3.132 0 1 GGAF COc1cc(-c2nc(CN(C[C@H]3CCC(=O)N3)C(C)C)c(C)o2)ccc1F 11843525 BFIRRXAHBASMLR-OAHLLOKOSA-N 375.444 3.287 0 1 GGAF COc1ccc(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)c(C)c1 12303141 MUUJUVUMJALEKQ-HNNXBMFYSA-N 391.464 3.426 0 3 GGAF COc1ccc(OCCCCCCCC(=O)O)cc1Cc1cnc(N)nc1N 13471960 XSIRJSGFRAEBEG-UHFFFAOYSA-N 388.468 3.044 0 1 GGAF O=C(/C=C/C1=CC=CN2N=C(c3ccccc3)C[C@@H]12)N1CCCC[C@H]1CCO 13491874 VYLXLPRFXILGDM-IDEPHGCFSA-N 377.488 3.238 0 1 GGAF Nc1cc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)ccn1 13759016 RAVFPWNPAGEFFU-UHFFFAOYSA-N 381.455 3.056 0 1 GGAF c1cc(-c2ccc3ncnc(N=c4cccn[nH]4)c3c2)cc(N2CCOCC2)c1 1857748500 PFNSBSRTXYTNDC-UHFFFAOYSA-N 384.443 3.089 0 1 GGAF O=S(=O)(c1ccc2c(c1)OCO2)N1CCC(c2nc3ccccc3o2)CC1 32553790 MQFRNLCBADNGMH-UHFFFAOYSA-N 386.429 3.125 0 1 GGAF O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2 4105671 KVLJAOPQXXERKU-HHHXNRCGSA-N 387.411 3.094 0 3 GGAF CCCn1c(-c2ccc(F)cc2)nc2c(N3CC[C@@H](N(C)C)C3)nc(C)nc21 7991796 QUDPCPXEKIQZTR-QGZVFWFLSA-N 382.487 3.491 0 1 GGAF CC1=NO[C@H](Cn2cc(C(=O)C(=O)Nc3cc(C)ns3)c3ccccc32)C1 29462894 ODPBHBDIVZTTSM-ZDUSSCGKSA-N 382.445 3.392 0 1 GGAF O=C(NCC(=O)N(CCO)C1CCCCCC1)c1cc2cc(Cl)ccc2[nH]1 28134247 KGUMFSYEDHFVOC-UHFFFAOYSA-N 391.899 3.095 0 1 GGAF CC=C(C)C=CC(=O)N[C@H](C(=O)O[C@H](C)[C@H](C)C(=O)O)[C@@H](C)c1ccccc1 2356400285 VVPVXDHEFAYPAR-LJCCNALRSA-N 387.476 3.450 0 1 GGAF COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc1ccc(S(C)(=O)=O)cc1 28862813 WQICEOXZEMHCJI-UHFFFAOYSA-N 387.457 3.037 0 1 GGAF CCCC[C@](C)(O)C/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)CO 27763330 KZRFFIVMBRBAAB-SVFLKNJDSA-N 382.541 3.342 0 1 GGAF CC[C@@H]1CCCCN1c1ccnc(N2CCC(C(=O)NCc3ccco3)CC2)n1 65239699 WUYDLDFNENTBDW-GOSISDBHSA-N 397.523 3.371 0 1 GGAF CCN1CCC[C@H]1CNC(=O)c1c(Br)c(Cl)cc(O)c1OC 64453471 XZJGINKCKLOPKC-VIFPVBQESA-N 391.693 3.031 0 1 GGAF O=C(c1ccc(F)cc1)C1CCN([C@H]2CCN(Cc3ccccc3)C[C@@H]2O)CC1 72180785 JJVDBCCVPCVKPZ-GOTSBHOMSA-N 396.506 3.356 0 1 GGAF O=C(O)c1cn(Cc2ccc(-c3ccc(F)cc3)cn2)c2c(c1=O)[C@H](O)CCC2 49072805 LYBSBOMFEFIOAX-LJQANCHMSA-N 394.402 3.166 0 1 GGAF O=C(CCCN1c2ccccc2[C@H]2C[C@@H]3CNCCN3C[C@@H]21)c1ccc(F)cc1 40592396 IIYOGQVRYCSVTF-LSWJPFSZSA-N 393.506 3.439 0 1 GGAF CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCNCC2)cc1 144124536 DWHANZZHQUPPRN-AATRIKPKSA-N 389.547 3.418 0 1 GGAF O=S(=O)(NC1CCCC1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 95593268 HPWJOWKSDZBHEL-UHFFFAOYSA-N 383.901 3.312 0 1 GGAF CN1C(=O)[C@@H]2[C@@H](C[C@]3(COc4ccccc4)OC[C@H]2/C3=C\c2ccccc2)C1=O 95868007 WCXACJXUMYUOHE-SDVTWDFKSA-N 389.451 3.169 0 1 GGAF CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CNCCc3ccc(O)cc3)[C@@H]2CC1 299807079 KJGCXABWIPKWFF-DDTUGOMQSA-N 385.504 3.360 0 1 GGAF COc1cc2c(cc1OS(=O)(=O)O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 31706288 HKVMUVAMCRTTDB-MKUCUKIISA-N 382.478 3.094 0 1 GGAF biogenic CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 299875434 CYGBEFLDXZSMEE-ZMSDIMECSA-N 378.881 3.380 0 1 GGAF C[C@]1(c2ccc3nnnn3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344005 FCWUORJJBYFOGD-TZIWHRDSSA-N 390.374 3.243 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(O)ccc12 587791559 KAXWWKVIDNGDKX-WNWIJWBNSA-N 377.213 3.024 0 1 GGAF CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587393373 HJGVBLWXNCKCDQ-FDDCHVKYSA-N 394.471 3.371 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCc2nnc(CC)n2C1 587872649 PQDNOEKSDUFCOU-AWEZNQCLSA-N 383.427 3.145 0 1 GGAF CS(=O)(=O)c1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1 586983329 YXUXNCNLFSKGET-UHFFFAOYSA-N 379.235 3.208 0 1 GGAF Fc1cccc(Cn2nnc(-c3nc4c(S)nc(S)nc4[nH]3)c2Cl)c1 587161404 NKELWAGFLYYFMX-UHFFFAOYSA-N 393.860 3.030 0 1 GGAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2ccccn2n1 587658973 XBMUTGBPNOVNNJ-UHFFFAOYSA-N 375.338 3.374 0 1 GGAF CCN(CC)c1ccc(-c2nn(CC(C)(C)O)c(=O)c3ccccc23)c(O)c1 587665188 OFVKAHPQNYOSIR-UHFFFAOYSA-N 381.476 3.386 0 1 GGAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(N)c(N)cc2[nH]1 587112134 HKJWJPDQFDRQSX-QGZVFWFLSA-N 377.370 3.146 0 1 GGAF CN(C)C(=O)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587007260 XLBZFRWWDBNEAW-UHFFFAOYSA-N 384.237 3.342 0 1 GGAF CC(C)(C)c1cccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c12 586955649 QXMACFMMJFFCSX-UHFFFAOYSA-N 398.532 3.427 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(N1CCOCC1)CC2 587592071 HMDDZIXMWLFXTR-VRVFXRSRSA-N 395.455 3.367 0 1 GGAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 587040770 BNHYHZULVSAHNY-QGZVFWFLSA-N 388.537 3.015 0 1 GGAF COc1ccnc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 587868222 XTXYGJKFRKNPAS-UHFFFAOYSA-N 378.310 3.065 0 1 GGAF CCN1C=C(C(=O)O)[C@]2(NCCc3ccc(F)c(C)c32)c2ccc(OC)cc21 962094423 SNGDVQXTBYSIAD-JOCHJYFZSA-N 382.435 3.340 0 1 GGAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2sc(O)nc2Cl)N1 962696328 KMXPHTRORDJSFH-BDAKNGLRSA-N 396.749 3.348 0 1 GGAF COC(=O)CC[C@@]1(C(C)C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962721731 WHXMEVWBXVQLSX-PBHICJAKSA-N 391.361 3.248 0 1 GGAF Cc1noc(C)c1C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167687506 JWJFLQOWJMJSRO-UHFFFAOYSA-N 378.432 3.097 0 1 GGAF CCCCC[C@@H](O)CCCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 3815968 XZWDACYVXIULCX-LJQANCHMSA-N 376.497 3.098 0 1 GGAF O[C@@H]1CO[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@@H]1O 3827144 SDZMSNFGAHMREZ-SFGWALBWSA-N 388.427 3.093 0 1 GGAF O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 4264378 PYFRIGCEASSYSU-UHFFFAOYSA-N 387.779 3.179 0 1 GGAF CCCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1 4437423 BRYWIJUNDHGCQL-UHFFFAOYSA-N 398.507 3.015 0 3 GGAF Cc1c2cnn(CC(=O)N3CCCCC3)c(=O)c2c(C)n1Cc1ccc(F)cc1 6807933 DJKHVRKJTNIQER-UHFFFAOYSA-N 396.466 3.015 0 1 GGAF O=C(OCCCc1ccccc1)[C@@H]1[C@@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccccc1 27306171 KIOGMUGRDVHMLR-DYXWJJEUSA-N 399.512 3.404 0 1 GGAF Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@H]2COc3ccc(F)cc3O2)CC1 27887796 QMKVMMPDZOBAFD-KRWDZBQOSA-N 397.450 3.254 0 1 GGAF O=C(O)CCCNC(=O)[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)O 26500359 QJELJDHYIVQIJV-WOJBJXKFSA-N 397.471 3.160 0 1 GGAF O=C(O)c1sc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1ccccn1 28374078 CQJRGESCDMIWCA-UHFFFAOYSA-N 378.406 3.448 0 1 GGAF O=C(CN1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)C1CCCC1 22940497 HLLLGKYQEQQFSS-VWLOTQADSA-N 392.543 3.451 0 1 GGAF COc1ccccc1N1CCN(CCCN2C(=O)CSc3ccccc32)CC1 27524233 QEEWJKZQASXBDH-UHFFFAOYSA-N 397.544 3.346 0 1 GGAF C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)C(F)(F)F)OCO3 25987731 CTMXSOSYRJUFRS-SNVBAGLBSA-N 391.349 3.085 0 1 GGAF COc1ccc(C[C@@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCCO3)cc1OC 2356606496 RQLDIROHMXEAOI-IRXDYDNUSA-N 384.428 3.049 0 1 GGAF CS(=O)(=O)Nc1cccc(-c2cc(-c3ccccc3)cc(C(N)=O)c2N)c1 28703772 NPWNVMHFIHQSNR-UHFFFAOYSA-N 381.457 3.073 0 1 GGAF CC1=CC=C[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H](C(=O)c3cccs3)N12 73168591 SFCREXJHGOKVDR-BVBHFADKSA-N 390.464 3.263 0 1 GGAF CN1C[C@H](c2cn(C)cn2)[C@H]([C@@H](OC(=O)c2ccccc2)c2ccccc2)C1=O 14953272 VEEGOOQCXICNQB-NRSPTQNISA-N 389.455 3.190 0 1 GGAF biogenic CCOP(=O)(OCC)[C@H](OC(C)=O)c1cc2cc(C)ccc2n2nnnc12 49112082 LUMFUUKOIZNZGX-KRWDZBQOSA-N 392.352 3.414 0 1 GGAF O=C(NCc1ccccc1)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1 82140931 HNWSUWJOJYSYRP-UHFFFAOYSA-N 392.434 3.049 0 1 GGAF Cn1cc(-c2cc3c(-c4cc(N5CCC(F)(F)C5)ncn4)n[nH]c3cc2F)cn1 225563861 WKHMBCBBCVCCSH-UHFFFAOYSA-N 399.380 3.405 0 1 GGAF Cc1cc(S(=O)(=O)c2ccc(N)cc2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 96175193 DMYYRYKPLPEGAQ-KDOFPFPSSA-N 381.501 3.251 0 1 GGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cncc(C)c2[nH]1 586934487 ADYFZKLREBGUDT-AWEZNQCLSA-N 376.507 3.039 0 1 GGAF CCOC(=O)COc1cccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587441175 RTHLERKVXVVWMD-VGOFRKELSA-N 382.412 3.300 0 1 GGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(CN(C)S(C)(=O)=O)o1)CC2=O 587483948 GUGUZVBWZWXWPQ-SFHVURJKSA-N 393.461 3.036 0 1 GGAF CO[C@@H](C)COC1CCC(c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)CC1 587951258 GLAIKIHOZOUZRH-MUYFXNHWSA-N 386.540 3.392 0 1 GGAF COc1ccccc1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599619 GYCLOABFYWANSJ-PGRDOPGGSA-N 392.363 3.343 0 1 GGAF COC(=O)C[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587772394 NRUKQICAAAUYLX-VOJFVSQTSA-N 393.256 3.324 0 1 GGAF COc1cc(N)c(I)cc1-c1nc2ccc(O)cc2[nH]1 587179445 XJXIGFUHIGWVJM-UHFFFAOYSA-N 381.173 3.131 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2C(CCC(=O)O)(CCC(=O)O)N1 587825446 DJTOWOXORZRDRB-SECBINFHSA-N 388.233 3.047 0 1 GGAF CN=c1[nH]c(Cl)ncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552260 PFQQXDRWPLRUAP-YOEHRIQHSA-N 383.791 3.002 0 1 GGAF O=C1CC(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587603551 NIZOYKAOOHBMPT-REWPJTCUSA-N 386.359 3.405 0 1 GGAF O=C(Cc1cc(=O)n(-c2ccc(F)cc2)[nH]1)n1nc2cc1Oc1ccc(F)cc1-2 587873152 CUBBENSMGQIWAM-UHFFFAOYSA-N 394.337 3.296 0 1 GGAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccnc(O)c3[nH]2)C[C@@H]2CCCC[C@@H]21 586959470 KYLJWAVXYLDOSD-JQFCIGGWSA-N 398.488 3.358 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccc(F)cc1)(c1cccnc1)NCC2 962924794 LYXDIQTWZNCSBQ-QHCPKHFHSA-N 375.447 3.360 0 1 GGAF CN1C(=O)C[C@H]2CN[C@H](c3ccncc3NC(=O)C(C)(C)C)c3cccc1c32 963035495 RWDROJPCGWDKOR-RNODOKPDSA-N 378.476 3.209 0 1 GGAF C[C@H](O)[C@]1(c2ccco2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963169056 GRZHNRJJFDABQN-VCAYMJSRSA-N 389.757 3.175 0 1 GGAF O=C1Nc2ccc3ncsc3c2/C1=C/Nc1ccc2c(c1)CS(=O)(=O)C2 12354992 DOXLZSAKRJWFJV-MLPAPPSSSA-N 383.454 3.130 0 1 GGAF in-vitro CN1CCN(c2ccc(Nc3ncc4ccn(-c5cccnc5)c4n3)cc2)CC1 14954873 LIVPFCSSZNEUQL-UHFFFAOYSA-N 385.475 3.311 0 1 GGAF CSc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2ccccc2)s1 169689026 ZTUWNGSSKBLNAG-OLZOCXBDSA-N 399.453 3.009 0 1 GGAF CCOc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)cn1 169709211 ZBFXQFPWBLMOFY-KBXCAEBGSA-N 387.455 3.474 0 1 GGAF CN(Cc1ccccc1)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C)C1=O 11840112 ZIOUQLKDKKZNFS-NRFANRHFSA-N 384.863 3.015 0 1 GGAF CN1CC2=C(C1=O)[C@@H](c1ccc(F)c(Br)c1)C1=C(O)CCC1=N2 13579987 YIGJRKCCUZVEJT-AWEZNQCLSA-N 377.213 3.458 0 1 GGAF C[C@H]([C@@H](O)c1ccc2c(c1)CCC(=O)N2)N1CCC(O)(c2ccc(F)cc2)CC1 13905140 FDCWDCYSJSNMNL-IVZQSRNASA-N 398.478 3.116 0 1 GGAF COc1cc(-c2cn[nH]c2)cc2c(=O)[nH]c([C@@H]3COc4ccc(C)cc4C3)nc12 66074384 OVQKKYZBVKEEAC-HNNXBMFYSA-N 388.427 3.349 0 1 GGAF CN(C(=O)Cc1ccccc1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 71340955 APOZPXDYEILLTC-QGZVFWFLSA-N 376.456 3.284 0 1 GGAF Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c(O)c1 72128697 MGUKBYXVNDLSKG-UHFFFAOYSA-N 397.378 3.220 0 1 GGAF COC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2)n1 82074554 HKTGZQDVAJPQIL-KRWDZBQOSA-N 396.468 3.298 0 1 GGAF CCCS(=O)(=O)c1ccc2[nH]c([C@@H]3CN(c4ccccc4)CCO3)nc2c1 95574983 BJTUQCMBCTVKDE-IBGZPJMESA-N 385.489 3.325 0 1 GGAF O=C1[C@H]2ON3c4ccccc4C(=O)[C@@]3(c3ccccc3)[C@@H]2C(=O)N1c1ccccc1 102951075 MFGKNCXXMLCDSY-MZLICYQSSA-N 396.402 3.088 0 1 GGAF Oc1ncnc2[nH]c(-c3cccc(N=c4[nH]c(-c5ccccn5)cs4)c3)nc12 587020696 DVXRXJKWGKQUAJ-UHFFFAOYSA-N 387.428 3.410 0 1 GGAF C[C@@]1(c2nc(Cl)cnc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553203 UJOXULVZPRHTCI-AUUYWEPGSA-N 383.791 3.295 0 1 GGAF CNC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570472 IYAJACCAVSEKDO-UGKGYDQZSA-N 377.396 3.174 0 1 GGAF CN(C)/C=C/[C@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578497 AKZYADVORVURDX-DKARIYQYSA-N 391.427 3.058 0 1 GGAF Cc1ccc(N2C[C@H](C(=O)n3ncc4ccc(Cl)cc4c3=O)CC2=O)cc1 587655192 VSDUGEMRQGCUSJ-CQSZACIVSA-N 381.819 3.052 0 1 GGAF CCOc1ccc(-c2nn(C(=O)CCCO)c(=O)c3ccccc23)cc1OCC 587671130 KGOARGHBGIOYMC-UHFFFAOYSA-N 396.443 3.274 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)CCO)nc2)N1 587739927 IOOAZQSFEJNRBY-ADLMAVQZSA-N 394.288 3.035 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3cnccn3)c2)N1 587759727 MKPKLLNSZSUSHI-DYZYQPBXSA-N 388.244 3.188 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2cnn(C)c2)N1 587763984 NUUDLQCEVGSLBV-DYZYQPBXSA-N 380.261 3.344 0 1 GGAF CCOC(=O)[C@@]1(CC(=O)CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800207 VYAKJQCFLDUBCC-BTDLBPIBSA-N 386.261 3.250 0 1 GGAF Cc1c2c(nn1C)[C@H](c1ccccc1C(F)(F)C(F)(F)F)N[C@H](C(=O)O)C2 962720037 YIRVFQMDJRCXEX-STQMWFEESA-N 389.324 3.071 0 1 GGAF Cc1ccccc1NC(=O)c1cc2n(n1)CCCN(C(=O)c1occc1C)C2 1772580417 GARXLIVTRCDCIH-UHFFFAOYSA-N 378.432 3.391 0 1 GGAF CN1CCN(C(=O)c2cn(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3)nn2)CC1 1772590616 PEDJJGOXDIAIDB-UHFFFAOYSA-N 397.567 3.309 0 1 GGAF CC(=O)CCCON1C(=O)[C@@H](NC(=O)OCCCCC2CCCCC2)[C@@H]1C 1772607823 KZQUBFOHMUQJDH-WMZOPIPTSA-N 382.501 3.363 0 1 GGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(NC3CCC3)c2cn1)c1ccccc1 1772608023 ZEKORFHHGZBTBT-QGZVFWFLSA-N 380.452 3.432 0 1 GGAF NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCCC[C@H]2c2ccccc2)c1 1772620420 OYMPEFYJMLRGHQ-HSNDNRACSA-N 377.444 3.034 0 1 GGAF Cc1cc(O)nc(-n2ncc(C(=O)N(C)[C@@H]3CCCc4ccccc43)c2C)n1 1857592343 UOQNQZBKWUOOGJ-GOSISDBHSA-N 377.448 3.134 0 1 GGAF COC(=O)CC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 1857592619 NSEQIIAOPXHHRM-UHFFFAOYSA-N 391.221 3.203 0 1 GGAF CN1CCN(C[C@H](OC(=O)c2ccc3ncccc3c2)c2ccccc2)CC1 1857756556 KQSSHDVTSGWPBS-QFIPXVFZSA-N 375.472 3.380 0 1 GGAF COc1cc2c(cc1OS(=O)(=O)O)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 2356319915 SCVLBAOQZXPGMZ-FAYLSGKYSA-N 380.462 3.302 0 1 GGAF C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@@H]2[C@@H]1CC[C@H]2CCC[C@@H]2N1 2356431862 HODLMSIRHTYEFG-NSPOJEGQSA-N 378.516 3.081 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@]3(OC)C[C@@]12O 2356452622 XNOMSXWCVIAZGH-JCWNOEHKSA-N 378.465 3.042 0 1 GGAF COc1cccc2c1N(C(C)=O)C13CCC4(CC1)[C@H]1N(CC[C@H]4OC)CC[C@]213 2356672103 XEEOVAZKEUVSCZ-GIJQCDDRSA-N 382.504 3.105 0 1 GGAF CC=C(C)C(=O)O[C@H]1c2cc3ccc(=O)oc3cc2OC(C)(C)[C@@H]1OC(C)=O 2356308026 KSKGUGPVFXWEJL-RBUKOAKNSA-N 386.400 3.446 0 1 GGAF Cc1cccc(C)c1NC(=O)NC1(C(=O)N2CCN3CCC[C@H]3C2)CCCCC1 4982216 PGWKOKLUPUBLHE-IBGZPJMESA-N 398.551 3.434 0 3 GGAF O=C(NC[C@H]1CCCO1)c1onc(CSc2cccc(Cl)c2)c1C(=O)O 8829362 SZYGMQYPOVLUQJ-LLVKDONJSA-N 396.852 3.227 0 3 GGAF CNC(=S)Nc1ccc(S(=O)(=O)Nc2nc3ccc(F)cc3s2)cc1 28899367 ODGPJRBNXNAEQL-UHFFFAOYSA-N 396.494 3.152 0 1 GGAF OC1=C2C(=Nc3nc(O)nc(O)c3[C@@H]2c2ccc3c(c2)OCO3)c2ccccc21 104091476 KTDJZJJPZYXTLI-CQSZACIVSA-N 387.351 3.166 0 1 GGAF CNc1nc2cc([C@@]3(O)c4ccccc4C(=O)N3Cc3ccccc3)ccc2[nH]1 116254834 WCKJQTNVFAFOSR-HSZRJFAPSA-N 384.439 3.454 0 1 GGAF c1ccc(CNC[C@@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)cc1 2356601438 VYJVATHJFMOXJG-GOSISDBHSA-N 377.444 3.010 0 1 GGAF COc1cc([C@@H]2c3cc4c(cc3C=C3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC 13371270 HMOQGLNIZXPXJE-UXHICEINSA-N 396.395 3.143 0 1 GGAF biogenic C[C@@H](Nc1cnc2c(c1)OCCO2)C(=O)Nc1ccc(Br)cc1 1911574445 TXQJPKJZSLXBIE-SNVBAGLBSA-N 378.226 3.054 0 1 GGAF CCOC(=O)C1=C(OCC)C(=O)O[C@@H]1C1=C(Cl)c2ccc(C)c(C)c2OC1 1911577479 RDLOLEXURBBGMG-QGZVFWFLSA-N 392.835 3.425 0 1 GGAF Cc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2F)oc1C 82175708 VLRNJWRTMKWVKE-AWEZNQCLSA-N 395.438 3.256 0 1 GGAF Nc1ncc(-c2ccc(C3(c4noc(-c5cncs5)n4)CCC3)cn2)cn1 96175528 KBDPCDICNLCRQN-UHFFFAOYSA-N 377.433 3.097 0 1 GGAF OCCn1cc(-c2cc(F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 142071414 ATVQODSMTYLUGV-SFHVURJKSA-N 378.325 3.460 0 1 GGAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2(C)COC2)cn1 143108488 WDZSJJQVQXUBKN-UHFFFAOYSA-N 379.416 3.143 0 1 GGAF Nc1nccc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CCO2 261175845 UVRQFGJPJNQVEI-SHTZXODSSA-N 395.459 3.452 0 1 GGAF NC1=N[C@](c2ccncc2)(c2cccc(-c3cn(O)cn3)c2)c2cccc(F)c21 299854174 VKFOXBUPASJWFA-JOCHJYFZSA-N 385.402 3.332 0 1 GGAF CC(=O)Nc1sc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1C(=O)O 587411680 UJWDXEUMQUOPPV-IBGZPJMESA-N 388.445 3.484 0 1 GGAF COC(=O)c1ccnc2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c12 587022993 HKOCXDSVSAZYQN-UHFFFAOYSA-N 375.410 3.215 0 1 GGAF CCN(c1ccc(-c2csc(CCn3nccc3C)n2)cc1)S(C)(=O)=O 587922365 CPAHPFVPYLOWLY-UHFFFAOYSA-N 390.534 3.344 0 1 GGAF COC(=O)CC[C@H](N)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587258539 MSBWEZKJVDQMOO-ZETCQYMHSA-N 396.163 3.177 0 1 GGAF COc1ccccc1[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805757 HPJDCLKRMFAPPQ-YPMLDQLKSA-N 394.240 3.459 0 1 GGAF CCOC(=O)c1coc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587775205 PQVOSHKTVGYRQO-CLAHSXSESA-N 383.217 3.377 0 1 GGAF Cc1c(O)ccc2c1[C@@](CCCCCC(=O)O)(C1CCC1)N[C@H](C(=O)O)C2 963522563 FLPVKAXVXFOATG-HRAATJIYSA-N 375.465 3.330 0 1 GGAF Cc1ccncc1[C@@]1(C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963137791 GJMVURPKNJPPTJ-KUHUBIRLSA-N 389.477 3.356 0 1 GGAF CCCN1C(=O)COc2cc(CN3CCN(Cc4ccccc4)CC3)ccc21 103245195 WICQACBBOHTLKR-UHFFFAOYSA-N 379.504 3.140 0 1 GGAF C[C@]1(O)CC(=O)O[C@@H](CSc2nc(-c3ccccc3)n(-c3ccccc3)n2)C1 27438373 GJDBVNRPTNZLSR-DYESRHJHSA-N 395.484 3.483 0 1 GGAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(C(=O)c1ccccc1C(=O)O)C2 2356523517 UVGIOOZKUKIGCQ-OAHLLOKOSA-N 380.400 3.065 0 1 GGAF N[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@@H](NC(=O)Nc2cccc3ccccc23)C1 27989602 LRINXVSRRIIMQL-HLIPFELVSA-N 380.492 3.080 0 1 GGAF CCCCOc1ccc(C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)cc1 28001401 OKPACELMVBBRER-KRWDZBQOSA-N 395.419 3.143 0 1 GGAF CC[C@]1(C)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 26488130 DZHKGYPDWJRPGC-TZIWHRDSSA-N 382.416 3.258 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)[C@H]1c1ccc(C)cc1 72137754 BVNNYQFBVOYTPB-IBGZPJMESA-N 389.448 3.369 0 3 GGAF CCCC[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)/C(=C6\OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 70454848 DTVYAHOULQCSMS-AWXODLJESA-N 387.476 3.090 0 1 GGAF biogenic,in-vitro COC(=O)c1ccc2c(c1)c1c(n2CCCN2C[C@H](C)N[C@H](C)C2)CCCC1 73162001 MEKIPWOBJHZJOO-CALCHBBNSA-N 383.536 3.379 0 1 GGAF CC(C)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](C)N2 82206948 CGQHLYCBMNXQGX-HNNXBMFYSA-N 378.476 3.093 0 1 GGAF COc1ccc([C@@H]2NC(=S)N[C@@H](c3ccc4c(c3)CCCC4)C2=O)cc1OC 49088062 LKCKVHMDLOUBCB-PMACEKPBSA-N 396.512 3.412 0 1 GGAF COc1ccccc1OCCNCCN1C(=O)c2cccc3cccc(c23)C1=O 96928016 SHIILLPPZNZCME-UHFFFAOYSA-N 390.439 3.113 0 1 GGAF COc1ccc2c(c1)C[C@@](NC(=O)c1cccc(C)c1OC(C)C)(C(=O)O)C2 146719110 ZFNNJCNJQGPLHU-JOCHJYFZSA-N 383.444 3.143 0 1 GGAF COc1ccccc1C(=O)N1C[C@H]2CN(c3nccc(-c4ccccc4)n3)[C@H]2C1 261120047 JKDJAMNOQDSZFM-PXNSSMCTSA-N 386.455 3.113 0 1 GGAF CCOC(=O)c1nn(C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587762760 FXNXBQFRAWEXFI-BJOHPYRUSA-N 396.260 3.122 0 1 GGAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cccc(F)c2[nH]1 586946393 PQDARRSUMNIAPL-ZDUSSCGKSA-N 389.452 3.135 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1ccccc12 587765139 BMOSJXKQKHFVAG-YPMLDQLKSA-N 375.241 3.342 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C)c1SCC(=O)O)CC2=O 587493555 RYRCAKOKPJBHQU-OAHLLOKOSA-N 390.461 3.270 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)cc1S(C)(=O)=O)[C@@H](C2)C3=O 587448475 JMWILGXKCUQFSZ-UGSOOPFHSA-N 378.833 3.241 0 1 GGAF CCOC(=O)[C@]1(c2ccc[nH]2)N[C@H](C)Cc2cc(Br)c(F)cc21 587789392 DAIVYQYSCHVFGG-QGHHPUGFSA-N 381.245 3.257 0 1 GGAF CN1N=C(C(=O)O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518572 LJYYIRJXPMYZMC-JOCHJYFZSA-N 376.412 3.317 0 1 GGAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587235185 GBTULBQINWDDRR-CHWSQXEVSA-N 395.481 3.361 0 1 GGAF CCOC(=O)c1c(C)[nH]c([C@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1C 963015729 AEAACAPQXMYVKX-JLCFBVMHSA-N 381.476 3.125 0 1 GGAF COc1cccc2cc3c(nc12)[C@@](C[C@@H]1COCCN1)(c1ccccc1)NCC3 963061444 CALMEJPFTUFJQI-HYBUGGRVSA-N 389.499 3.011 0 1 GGAF CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]cnc3-c3ccccc3)cc21 13641285 WMNVYPIDBPUURP-UHFFFAOYSA-N 381.461 3.262 0 1 GGAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 15895072 AGWNTSAXKRGTBH-DBRQCVRVSA-N 378.472 3.307 0 1 GGAF O=C([C@@H]1CCC(=O)N1Cc1ccccc1)N1CCN(c2ccccc2Cl)CC1 169340817 YUHBZCQWXJRJMH-FQEVSTJZSA-N 397.906 3.180 0 1 GGAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-n2cccn2)n1 167857115 CMOIZFQRFFEJJY-NVXWUHKLSA-N 392.459 3.394 0 1 GGAF CN(C)CCCN=c1nc(-c2c(-c3ccc(F)cc3)nc3ccccn23)cc[nH]1 1857600805 XJXFNNSNBNTPIF-UHFFFAOYSA-N 390.466 3.383 0 1 GGAF O=C(NCc1cccnc1)c1cccn2c(=O)c3c4c(sc3nc12)CCCC4 4907173 PLSVZMHDEAVHOP-UHFFFAOYSA-N 390.468 3.113 0 3 GGAF Cc1cc([C@@H](C)Nc2ccc(F)cc2)c2nc(N3CCOCC3)cc(=O)n2c1 114827462 KJQNZPUIHHINMX-OAHLLOKOSA-N 382.439 3.152 0 1 GGAF COc1ccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)s1 117704905 DKQUDOVNDMRXNZ-CYBMUJFWSA-N 384.436 3.271 0 1 GGAF CC(C)N1CCC[C@@H](O)[C@@H](NC(=O)c2ccc(OCc3ccccc3)cc2)C1 2356809179 AOCMCLMWRVBFEG-FCHUYYIVSA-N 382.504 3.229 0 1 GGAF c1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NCC5CCCCC5)CO[C@@H]34)n2)cc1 2356810602 AZFAJCQJKRSIIJ-CBPXPLCBSA-N 394.519 3.260 0 1 GGAF CC1=C[C@H](CN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356827700 IONRYONYBJWANN-OTWHNJEPSA-N 399.539 3.199 0 1 GGAF COc1ccc(CCNc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1 35077831 GBANCUMWMKNVHG-UHFFFAOYSA-N 375.476 3.406 0 1 GGAF COc1cc([C@@H]2CC(=O)c3c(cc(OC)c(OC)c3OC)O2)cc2c1OCO2 14436428 HTRVCOZULPJGLN-LBPRGKRZSA-N 388.372 3.156 0 1 GGAF biogenic Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)[C@H]3C)n1 218937127 WVMPHKVLGBDWHJ-QMMMGPOBSA-N 392.847 3.115 0 1 GGAF C[C@H]1CN(c2cc(-c3n[nH]c4ccc(-c5cn[nH]c5)cc34)ncn2)C[C@@H](C)O1 225563451 HCZZYEGANIFLGS-BETUJISGSA-N 375.436 3.024 0 1 GGAF COc1ccc([C@H]2NC(=O)N[C@@H](c3ccc4c(c3)CCCC4)C2=O)cc1OC 49785369 QSNWREZNTJHSCO-VQTJNVASSA-N 380.444 3.247 0 1 GGAF Cc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1N1CC[C@@H](O)C1 199270307 RYMJINBIDFXFLZ-SJLPKXTDSA-N 375.513 3.012 0 3 GGAF O=c1c(NCC2CC2)c2n(c(=O)n1CC1CCCCC1)[C@H](c1ccccc1)CN2 82209508 NFMBITANBIAGTE-IBGZPJMESA-N 394.519 3.427 0 1 GGAF O=S(=O)(c1ccccc1)c1cc(Cn2cccn2)c2oc3c(c2c1)CNCC3 143638245 NWSWKKWZYMYYPX-UHFFFAOYSA-N 393.468 3.156 0 1 GGAF CC(C)C[C@@H]1C(=O)N([C@@H](Cc2ccccc2)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 473199265 YVDGEXSSVKMMEG-SLFFLAALSA-N 395.455 3.203 0 1 GGAF CN(C)c1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 653859649 HRSXIKPVKMZYNS-UHFFFAOYSA-N 390.443 3.078 0 1 GGAF CN(C)/C=C\[C@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578500 AKZYADVORVURDX-MRBIBDDXSA-N 391.427 3.058 0 1 GGAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cnnc(O)c3[nH]1)N2 587030950 KEURJWNFBGFNLZ-VUMIPSPVSA-N 388.478 3.185 0 1 GGAF CS(=O)(=O)c1cccc(-c2nc3ccc(I)cc3[nH]2)c1 586925500 GDIKHQZVPOFUGZ-UHFFFAOYSA-N 398.225 3.238 0 1 GGAF CCOC(=O)C[C@@]1(COC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346218 IARLYZUDDMXCRE-FPOVZHCZSA-N 388.391 3.229 0 1 GGAF O=C(O)CC[C@@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589776 QQPTVAHJLGQPMD-RXVVDRJESA-N 379.368 3.442 0 1 GGAF CC1=C(c2ccc3nc([C@@H](N)Cc4ccccc4Cl)[nH]c3c2)NNC(=O)C1 587059385 RBKUMGHREMFAII-HNNXBMFYSA-N 381.867 3.214 0 1 GGAF CCOC(=O)[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587794140 GANGVFHVNRKRDJ-YHYSRRTLSA-N 386.261 3.106 0 1 GGAF CCOC(=O)[C@@]1(CC(=O)C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587799887 UQZJZDGHJMYXPG-MGNBDDOMSA-N 398.272 3.250 0 1 GGAF COc1cc2c(cc1OC)[C@@H](C1CCOCC1)N(C(=O)c1ccccc1N)CC2 963142394 PKTDKUBHYKDYNH-JOCHJYFZSA-N 396.487 3.452 0 1 GGAF C[C@]12C[C@H](C[C@H]3C(=O)O[C@H](c4ccoc4)[C@@H](OC(=O)c4ccccc4)[C@H]31)OC2=O 169651353 JLFUOYRQSZADHD-ZTEUENLZSA-N 396.395 3.061 0 1 GGAF COc1cc([C@H]2NC(=S)N=C(C)[C@@H]2C(=O)OC(C)C)ccc1OC(C)C 169688815 MGDCUCOGFRYHED-DLBZAZTESA-N 378.494 3.440 0 1 GGAF O=C(Nc1ccc(O[C@@H]2CCN(C(=O)C3CC3)C2)cc1)N1Cc2ccncc2C1 166838190 SLHUTUPTISMNHP-HXUWFJFHSA-N 392.459 3.019 0 1 GGAF COc1ccccc1C(=O)Nc1nc(NCc2cccc(C)c2)c2ncnc-2[nH]1 1857574285 ZMXJVJKXQYPPOE-UHFFFAOYSA-N 388.431 3.486 0 1 GGAF CCCc1ccc(OCC(=O)N(CCNC(=O)c2cccnc2)C(C)C)cc1 1857600734 NWFMXNYYHOKDSR-UHFFFAOYSA-N 383.492 3.080 0 1 GGAF COc1ccccc1CCN=c1[nH]c(N2CCCC[C@H]2CO)nc2ccccc12 1857618784 PRGNSTWODNNTOW-SFHVURJKSA-N 392.503 3.066 0 1 GGAF CC(=O)Nc1cccc2c1C(=O)c1c(-c3ccc(N4CCOCC4)cc3)n[nH]c1-2 12355137 YUPJUWXUIUHQKD-UHFFFAOYSA-N 388.427 3.083 0 1 GGAF CCN(C[C@@H]1CCCO1)C(=O)c1cc(COc2cccc3cnccc23)on1 14972741 ZYLISRDDOZGIEA-INIZCTEOSA-N 381.432 3.443 0 1 GGAF O=C(NC1CCCCCC1)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 15786789 PJGFZEXXXNIOOV-UHFFFAOYSA-N 397.884 3.150 0 1 GGAF C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 22941263 JIFUZIJTCAAWNY-KRWDZBQOSA-N 383.923 3.435 0 1 GGAF COc1cc2nc3c(c(N)c2cc1OC)CC[C@@H](CNC(=O)c1ccccc1)C3 27550705 NMJHFHBUIVGITI-CQSZACIVSA-N 391.471 3.369 0 1 GGAF O=C(Cc1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12)N1CCOCC1 28704765 WVHGXWRNENLRJN-UHFFFAOYSA-N 382.847 3.385 0 1 GGAF O=C1NCc2ccc3c(c21)C[C@@H](NCCCCc1c[nH]c2ccc(F)cc12)CO3 45348147 SDTOSYQWYBTBGQ-QGZVFWFLSA-N 393.462 3.466 0 1 GGAF CCN(C(=O)c1ccc(-c2ccc(OC)cc2)[nH]c1=O)c1ccc(OC)nc1 49073465 AYGBCOPDQGTTDR-UHFFFAOYSA-N 379.416 3.121 0 1 GGAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CC[C@H](F)C3)ns2)n1 66102719 QZCMKSLZWAYEFU-ZDUSSCGKSA-N 398.471 3.172 0 1 GGAF O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccnc(N2CCOCC2)c1 95920771 DLOAYIHJIDPKJJ-UHFFFAOYSA-N 376.416 3.358 0 1 GGAF in-vitro CCOc1ccc(-n2c(SCC(N)=O)nc3c4ccccc4nc-3c2O)cc1 100086846 IVRJFRBOQOPDCD-UHFFFAOYSA-N 394.456 3.207 0 1 GGAF O=C(Nc1ccccc1)c1c(-c2ccccc2)[n+]([O-])c2ccc(F)cc2[n+]1[O-] 101640918 KVFGLMRSLHSSDG-UHFFFAOYSA-N 375.359 3.165 0 1 GGAF COc1ccc2c(n1)N(C1CCN([C@H]3/C=C/CCCCC3)CC1)C(=O)CC(=O)N2 114073266 NEQQBFAZUUAWQM-YERXGYGTSA-N 398.507 3.119 0 1 GGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccccn4)C[C@@H]3C2)n1 116825073 IBTOYHUCRVSPJX-RTBURBONSA-N 399.498 3.364 0 1 GGAF CCCN/C=C1\N[C@@H]2CN=C(c3ccccc3)c3cc(Cl)ccc3N2C1=O 169319024 HMUZGUISRAIGGK-GTVARFKMSA-N 380.879 3.294 0 1 GGAF C[C@@]1(c2sc(Br)cc2Cl)CS(=O)(=O)C2(CCC2)C(N)=N1 217745326 BFFXPMHURKDIDG-NSHDSACASA-N 397.747 3.088 0 1 GGAF CNCCc1cc(OC)c(OC)cc1C(=O)Cc1ccc(OC)c(OC)c1C 238766737 ZJZWNKNHBBTRRN-UHFFFAOYSA-N 387.476 3.217 0 1 GGAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O 299876487 FUNHIYOIEIVJNW-XUVXKRRUSA-N 385.508 3.485 0 1 GGAF CC(=O)OC[C@]1([C@@H]2C[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]3(C)O2)O[C@H]1CO 473087960 GWONDNYOBDCCGQ-GROCBPGISA-N 380.525 3.470 0 1 GGAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cccc(C(F)(F)F)c2[nH]1 586951700 VOERRJDQZGVABZ-UHFFFAOYSA-N 376.385 3.385 0 1 GGAF N=c1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c2ccccc2[nH]1 587254612 VQAIOLSWMLXFFU-UHFFFAOYSA-N 383.415 3.250 0 1 GGAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)([C@@H](C)Oc1cccnc1)[C@@H](C2)C3=O 587428301 JQCSROSLGNMNED-APLDHQJNSA-N 380.444 3.119 0 1 GGAF COC(=O)c1cc(C=O)n2c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cccc12 587434818 BDSYMHDVDWNXTE-QVKFZJNVSA-N 391.379 3.036 0 1 GGAF CN1CCOc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc21 587585124 CKQMRMKWFRWETI-WIYYLYMNSA-N 390.395 3.319 0 1 GGAF CCOC(=O)c1c(C2CN(C(=O)OC(C)(C)C)C2)[nH]c2c(C(=O)O)cccc12 587639322 RKFHOCNBLFTACD-UHFFFAOYSA-N 388.420 3.377 0 1 GGAF O=C(NCC(F)(F)F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655544 MCRREBGDAPYHTJ-UHFFFAOYSA-N 383.276 3.462 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2S(C)(=O)=O)N1 587848882 JDBBLJBKFBPZFT-VFVAKGGASA-N 390.318 3.305 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1csc(=N)[nH]1 587863622 FIPKNVSIHGUJAV-UHFFFAOYSA-N 382.367 3.329 0 1 GGAF CC(C)(C)n1cc(O)c([C@@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)n1 962730203 MHHUCIBDLMIRLA-UGSOOPFHSA-N 381.398 3.253 0 1 GGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](Cn2ccnc2)(c2ccc(Cl)cc2)N1 962906674 HTPNJCVGWNYLNL-AZUAARDMSA-N 385.826 3.218 0 1 GGAF COC(=O)/C(=C/c1ccccc1)CN1C(=O)[C@@H](OC)[C@H]1c1cccc(Cl)c1 1772640411 YYAZXYIBXCCHHG-SBSMOFILSA-N 385.847 3.495 0 1 GGAF COc1cc([C@@H]2C(=O)NC(=O)N2c2cnc3ccccc3c2)cc(OC)c1OC 1857640225 HLOYZGBVGJZHSE-GOSISDBHSA-N 393.399 3.058 0 1 GGAF CN(C)c1ccc(C(=O)NCCCCN2CC[C@H](c3cccc(O)c3)C2)cc1 1857756496 UVSNDTNJIHHUPU-FQEVSTJZSA-N 381.520 3.458 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CCC2=C[C@]3(O)OC(=O)C(C)=C3[C@H](OCC)[C@]2(C)[C@@H]1C 2356565455 CKEDEJUNOHYEPP-QIUPBARTSA-N 390.476 3.208 0 1 GGAF O=C(NCc1ccc(Cl)cc1)c1cccc2c1C(=O)N(C[C@H]1CCCO1)C2 6770048 TUYHBRHINUANJA-QGZVFWFLSA-N 384.863 3.405 0 3 GGAF O=C(NCC1CCOCC1)c1cc(COc2cccc(C(F)(F)F)c2)on1 11813650 BAPRQHMQVGTENB-UHFFFAOYSA-N 384.354 3.429 0 3 GGAF O=C(c1cccnc1)[C@H]1CCCN(Cc2nc(Cc3ccccc3F)no2)C1 12712072 WTHVDGWKXLQHIG-KRWDZBQOSA-N 380.423 3.289 0 3 GGAF CC(=O)c1cc(NC(=O)c2cccs2)ccc1OC[C@H](O)CNC(C)(C)C 25977962 WVGAOPSZYMBUJB-OAHLLOKOSA-N 390.505 3.331 0 1 GGAF COc1ccc2c(n1)NC(=O)CC(=O)N2C1CCN([C@H]2C=CCCCCC2)CC1 114073111 YWAUKNYPCVZKBR-INIZCTEOSA-N 398.507 3.119 0 1 GGAF O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCNc1ccc(O)cc1 103208680 WMYPLIJMQZYLSG-UHFFFAOYSA-N 387.439 3.300 0 1 GGAF O=C(NO)N[C@H](Cc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 28113105 NPTHOOKTFAASMN-HXUWFJFHSA-N 389.455 3.192 0 1 GGAF CC(C)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4COC(=O)[C@H](C)O)[C@@]3(C)CC[C@]2(C)CC1 2356483548 OKWCARPZJVGRQP-PPFXMEKISA-N 390.520 3.497 0 1 GGAF C[C@]1(O)CCN(C(=O)C2CC2)[C@@H](c2ccccc2)[C@H]1NC(=O)c1ccc(F)cc1 2356706084 RCWPBTWKZRVOCB-MZKRTTBSSA-N 396.462 3.059 0 1 GGAF Nc1nc(Br)ncc1-c1c[nH]c2c(Br)ccc(O)c12 14681613 SWLZULYWCMNADW-UHFFFAOYSA-N 384.031 3.438 0 1 GGAF biogenic c1ccc(CN2CC[C@H]3CN(c4ncnc5oc(-c6cccnc6)nc45)C[C@@H]32)cc1 36338424 MVBXUSCMBDMSDB-OALUTQOASA-N 398.470 3.391 0 1 GGAF CC(C)CCNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)CCN2 82204588 BIVLGPJUZTZYHC-UHFFFAOYSA-N 378.476 3.095 0 1 GGAF C/N=c1\[nH]c2cnc(Nc3cc(C(F)(F)F)ccc3F)cc2n1CCOC 82083017 OTMIGUNBKOYION-UHFFFAOYSA-N 383.349 3.443 0 1 GGAF O=C(O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144732640 NUSLEGAFNXGXOX-LPHOPBHVSA-N 391.345 3.154 0 1 GGAF C[C@]12C[C@@H]3C[C@H](C1)C[C@@](CC(=O)OCCN1CCN(c4ncccn4)CC1)(C3)C2 299810520 CCGVFRIKBZBWQY-PVTAMDAMSA-N 398.551 3.138 0 1 GGAF Cc1cc2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc2c(C)n1 586941927 DYOLMCHHGJLBIK-UHFFFAOYSA-N 399.303 3.403 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 586904457 UHKXOOJNFFGVMX-QFBILLFUSA-N 385.489 3.162 0 1 GGAF CCCS(=O)(=O)N1CCC(c2nc3c(Cl)cnc(Cl)c3[nH]2)CC1 586951984 FPYJGGDURSXLRZ-UHFFFAOYSA-N 377.297 3.184 0 1 GGAF Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N(C)C)n1 587573886 UYVNYBKBXDCGOG-FXAWDEMLSA-N 377.400 3.260 0 1 GGAF COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n2c(C=O)cccc12 587393748 LGHRWNGITOLVQC-IBGZPJMESA-N 378.384 3.136 0 1 GGAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)n1 587079912 OXRTXPCAZKHBHJ-JTQLQIEISA-N 381.889 3.301 0 1 GGAF CC1=C[C@]2(NCCc3c(C(=O)O)cccc32)c2cc(Cl)ccc2N1CC(=O)O 963122422 NAEJYZNAHLSSMC-OAQYLSRUSA-N 398.846 3.236 0 1 GGAF COCCCN1CCc2ccc(OC)cc2[C@]12CC[C@@H](C(F)(F)F)C[C@H]2N 961319325 HSNPVCJNNVXJQW-LZQZEXGQSA-N 386.458 3.475 0 1 GGAF CC1(OC(=O)N2CCC3(CC2)C[C@H]3CNC(=O)N2Cc3ccncc3C2)CCC1 1772599219 JXAXUBCGFYHKMH-SFHVURJKSA-N 398.507 3.288 0 1 GGAF COc1cc(=O)oc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc12 13486989 LMTBBOFCAUHANH-UHFFFAOYSA-N 394.471 3.393 0 1 GGAF CCOC(=O)c1cccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)c1 13600505 HIBQAJOMQYQQOK-UHFFFAOYSA-N 388.427 3.137 0 1 GGAF CN(C)c1ncc2nc(-c3cccs3)c(=O)n(CCc3ccccc3)c2n1 4239129 SZWBWDUGODDURF-UHFFFAOYSA-N 377.473 3.224 0 1 GGAF CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)c2ccco2)C1 4545984 SBVGJYYNDNJKSQ-FUHWJXTLSA-N 388.439 3.135 0 1 GGAF CO[C@@H]1O[C@@H]2C[C@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@@H]3CCC[C@@H]1[C@@]23CO 2356385641 SUPRLOYYPNFRNB-XBINPKIRSA-N 376.449 3.060 0 1 GGAF COC(=O)CCCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1 26397640 FATGGDUQYMCXMY-UHFFFAOYSA-N 385.416 3.456 0 1 GGAF CC1(COc2ccc(S(=O)(=O)[C@@H]3SC(=O)NC3=O)cc2)CCCCC1 29214372 ZNSPMWGVRCKWFV-HNNXBMFYSA-N 383.491 3.119 0 1 GGAF O=C(COc1ccc(F)cc1Cl)Nc1nnc(-c2ccc3c(c2)OCO3)o1 66136482 PDEAJUFHUAEQOR-UHFFFAOYSA-N 391.742 3.275 0 1 GGAF O=C(O)c1cccc(Cn2c(=O)n(Cc3nc4ccccc4[nH]3)c3ccccc32)c1 28569618 WQESIYWGLIDXDC-UHFFFAOYSA-N 398.422 3.474 0 1 GGAF COc1ccc(-c2cc(=O)c3ccc(OC[C@@H](O)CNC(C)C)cc3o2)cc1 29563401 WIZWSDWBLIVDBD-INIZCTEOSA-N 383.444 3.206 0 1 GGAF Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)N1CCC1 29038032 VZJCDUVIHBZYEA-FUHWJXTLSA-N 376.522 3.042 0 1 GGAF Cc1nc(C2CCCC2)cc([C@H]2CN3CC[C@H]2C[C@H]3CNC2CCOCC2)n1 2356852679 QSFXAQOYCNIYAD-JBACZVJFSA-N 384.568 3.389 0 1 GGAF CCN1C(NCc2ccc(OC)cc2)=N[C@@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C 36379132 RRRSUCJOBAJYGE-HBGVWJBISA-N 395.503 3.395 0 3 GGAF COc1cc2c(cc1OC)[C@@H]1O[C@H](OC)c3c(ccc4c3OCO4)[C@H]1NCC2 33833244 JEUAVYPZVKRQOZ-DYXWJJEUSA-N 385.416 3.036 0 1 GGAF endogenous,in-man CS(=O)(=O)c1ccc([C@@H]2SCCC(=O)N2CCc2ccccc2)cc1 71281315 WNYAMJLZANBXDA-IBGZPJMESA-N 375.515 3.297 0 1 GGAF CC(=O)Nc1ccc([C@H]2N[C@H](C(=O)NC34CC5CC(CC(C5)C3)C4)CS2)cc1 45358286 BPIQFTBQNIPKFV-PGYLWRKESA-N 399.560 3.434 0 1 GGAF CC(C)Oc1cc2c(-c3cc(N4CCN(C)[C@H](C)C4)ncn3)n[nH]c2cc1F 221317726 WUDJYJSQNZGFJX-CYBMUJFWSA-N 384.459 3.087 0 1 GGAF COc1ccc(NC(=O)[C@@H]2c3ccccc3OCC(=O)N2Cc2ccco2)cc1 199207048 DYVUFELHNPORLV-NRFANRHFSA-N 392.411 3.389 0 3 GGAF O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2cccc(F)c2)cs1 82193428 JQENZKMECBISCC-RDJZCZTQSA-N 375.469 3.213 0 1 GGAF CCCC[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 96061838 DTVYAHOULQCSMS-NPBMAUCESA-N 387.476 3.090 0 1 GGAF COc1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)cc(-c2ccncc2)n1 261162805 REGOWOYDZSFURZ-IBGZPJMESA-N 391.427 3.406 0 1 GGAF CCOC(=O)c1cc2c(nc1OC)-c1cnn(-c3ccc(OC)cc3)c1CC2 473082308 HAZDGVODARRNKQ-UHFFFAOYSA-N 379.416 3.227 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NC[C@H](O)CC 299881585 OFOIALDYHPDZDC-LKUPVBHCSA-N 382.460 3.064 0 1 GGAF CCS(=O)(=O)c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1 587178251 XFCQXMZYKRFPNI-UHFFFAOYSA-N 384.230 3.320 0 1 GGAF COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccc(N2CCOCC2)cc1 587636769 HYEWHIRINJMVMV-UHFFFAOYSA-N 382.391 3.161 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCCC(=O)O)c(OC)c1)[C@@H](C2)C3=O 587439491 BAEBZWIWBJHXOR-NYHFZMIOSA-N 398.411 3.220 0 1 GGAF COC(=O)C[C@]1(c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587776445 CSOCQOPOFHZSCU-BBATYDOGSA-N 393.256 3.324 0 1 GGAF O=C1C[C@H](Cc2nc3cc(F)cnc3[nH]2)c2c(Br)cccc2O1 587001903 AFKRYUBTGHDAMQ-QMMMGPOBSA-N 376.185 3.495 0 1 GGAF NNc1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587657520 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CC(C)c1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)[C@](C)(O)OC2=O)cc1 13488602 ILRGQKBXWMOPOJ-OAQYLSRUSA-N 386.469 3.390 0 1 GGAF C[C@]1(c2cc(NC(=O)c3cnc(Cl)s3)ccc2F)N=C(N)OC[C@@H]1F 169702962 VVDUWXONJNQSOT-XHDPSFHLSA-N 386.811 3.086 0 1 GGAF NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(OCc4ccccc4)cc23)c1 204678015 WANHTVLKRBRQNN-UHFFFAOYSA-N 379.441 3.456 0 1 GGAF N[C@H]1CCCN(c2cncc(-c3n[nH]c4cnc(-c5cccnc5)cc34)c2)CC1 205251441 RKQKFCKHAXUXEH-KRWDZBQOSA-N 385.475 3.400 0 1 GGAF CCOCCCNS(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CC(C)(C)C3 9685549 NSQPKNNPZKIIMW-UHFFFAOYSA-N 392.521 3.336 0 3 GGAF NC1=N[C@@]2(CS1)c1cc(-c3cncc(Cl)c3)ccc1O[C@@H]1CCOC[C@H]12 103253340 SPXWEKUGALJTSG-SUMDDJOVSA-N 387.892 3.456 0 1 GGAF COc1cccc(N2CCN(C[C@H](O)c3ccc(Br)cc3)CC2)c1 103464948 CWZALOIEIACJHL-IBGZPJMESA-N 391.309 3.313 0 1 GGAF Cc1ccc(CN2CCN([C@@H]3CCc4cccc5c4N(C3=O)[C@@H](C)C5)CC2)cc1 22927121 DKBPJHJAUABOCD-WMZHIEFXSA-N 389.543 3.405 0 1 GGAF O=C(N[C@@H]1N=C(c2cccc(Cl)c2)c2ccccc2NC1=O)c1ccco1 28572264 UDLVISZTTALEGL-SFHVURJKSA-N 379.803 3.479 0 1 GGAF COc1ccc(CNCCCn2cnc(C(=O)Nc3ccc(C)c(C)c3)n2)cc1 61936038 ZDAUTYBOEXHOQU-UHFFFAOYSA-N 393.491 3.336 0 3 GGAF NC[C@@H]1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 39142786 IQUZMJQNGTWIKG-JTQLQIEISA-N 393.846 3.002 0 1 GGAF COc1cc(Br)cc(C(=O)NC[C@@H]2CCCN2CC2CC2)c1OC 38796682 RQQHKEIJFYJFJI-AWEZNQCLSA-N 397.313 3.071 0 1 GGAF Cc1c(C(=O)N(C)CCN(C)C)nn(-c2ccc(Cl)cc2)c1-n1cccc1 1911583781 XPTOLHRASXLFLK-UHFFFAOYSA-N 385.899 3.258 0 1 GGAF COc1ccc(NC(=O)O[C@@H](c2ccc(OCCO)cc2)[C@H](C)CCO)cc1 95785342 AYZZQGYRUATFAV-FOIQADDNSA-N 389.448 3.375 0 1 GGAF CS(=O)(=O)Nc1cc(N)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1 95573055 YEDQGZUQPKJALZ-UHFFFAOYSA-N 379.445 3.246 0 1 GGAF O=C(NC1CCCC1)[C@H]1c2ccccc2OCC(=O)N1CCc1ccccc1 95602309 IYPAZXNNLMUXLT-JOCHJYFZSA-N 378.472 3.250 0 3 GGAF CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2cccc(C(C)=O)c2)ON1C 95589028 LVMMQYLANCGNKM-CVEARBPZSA-N 384.369 3.056 0 1 GGAF COc1ccccc1OCCNC[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 96939684 XVFGNLLUHQRAFB-LIPMQLJGSA-N 389.536 3.258 0 1 GGAF Cc1n[nH]c2c1[C@@H](c1ccc(F)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O 261176290 UXOOYKGHOJVFQB-GOSISDBHSA-N 394.385 3.406 0 1 GGAF COC1=CC(=O)C[C@H](C)[C@@]12Oc1c(Cl)c(OC)c(Cl)c(OC)c1C2=O 32177727 VOYKFNUPFUJNKL-BWKAKNAASA-N 387.215 3.464 0 1 GGAF biogenic O=C(N[C@@H]1CCC[C@H]1C(=O)O)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 95597062 OPOPYFWSNGVSOW-ZIAGYGMSSA-N 391.855 3.067 0 1 GGAF COc1ccccc1N1CCN(CCCCc2cn(-c3ccccc3)nn2)CC1 299818582 ADUUVPPWHWVJFK-UHFFFAOYSA-N 391.519 3.421 0 1 GGAF CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)[C@H](O)C[C@H]1N1CCOCC1 299849262 BKTMHLZVNAXAGT-SSGKUCQKSA-N 383.488 3.023 0 1 GGAF Cc1nn(C)c(N(C)C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587760031 WPDQJLGSDDYBGJ-XXFAHNHDSA-N 381.293 3.320 0 1 GGAF N=c1[nH]c2nc(/C=C\c3cc4c(cc3Br)OCO4)nc-2c(Cl)[nH]1 586998472 KSLJVGPMGTZQGQ-UPHRSURJSA-N 394.616 3.032 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ncccn2)N1 587740619 DOYKYLUHXAWOMQ-BTDLBPIBSA-N 393.260 3.156 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(S(=O)(=O)NC)c1)CC2=O 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GGAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N3CCOCC3)nncc2c1 40953558 OZELIFLDRWQKKG-UHFFFAOYSA-N 388.471 3.334 0 1 GGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCCc1ccc(F)cc1 4547722 LQERMJMIYLBEEC-SAJVYSHOSA-N 390.499 3.237 0 1 GGAF COc1c(OCC2CC2)ccnc1C[S@@](=O)c1nc2cc(F)ccc2[nH]1 13603896 XTMPNUUZUDMAAN-SANMLTNESA-N 375.425 3.202 0 1 GGAF O=C1NC(=O)[C@@]2(CN(Cc3nc4ccccc4s3)c3ccc(Cl)cc32)N1 28229384 FAZBQMIONFTMSA-SFHVURJKSA-N 384.848 3.005 0 1 GGAF CC1CCN(C(=O)c2cccc(S(=O)(=O)c3ccccc3Cl)n2)CC1 29050380 ISSSYSHNTUVYNT-UHFFFAOYSA-N 378.881 3.440 0 1 GGAF CCOC(=O)C1=C(Nc2ccccc2F)N=C(c2ccccc2)N2CCN=C12 45287033 PCMVZCGZHWXAGP-UHFFFAOYSA-N 378.407 3.187 0 1 GGAF COc1ccc(OC)c([C@H](CC(=O)c2cccc(NC(C)=O)c2)NC(C)=O)c1 72113847 VSOTTZCLSMTQRK-IBGZPJMESA-N 384.432 3.112 0 1 GGAF CCN(C[C@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)C(=O)c1cccnc1 95895779 OBYQZMKDECEVCN-ZLNRFVROSA-N 391.515 3.228 0 1 GGAF O=C(COc1ccc(CO)cc1)N1CC[C@H](Oc2ccccc2C(F)(F)F)C1 141811494 MZYNHNDFHWNIIU-INIZCTEOSA-N 395.377 3.256 0 1 GGAF in-vivo O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C\COc2ccc(Cl)c1c2 169313213 PRQVABJPYZFCOM-LPQSXRFUSA-N 387.819 3.093 0 1 GGAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1cccs1 169351537 MMZREDUOHGGEFD-ZEKOZNNASA-N 376.474 3.332 0 1 GGAF COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(Nc5ccccc5)[C@@H](C2)N(C)CC[C@@]314 169372994 QMZAHWGFWQZOLK-OYYPCOLYSA-N 390.483 3.168 0 1 GGAF Cc1noc(C)c1-c1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1 225555610 UAXFIJDFSHNAMT-UHFFFAOYSA-N 376.420 3.128 0 1 GGAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O 299878775 JSRMNRTUYSQWLH-JEEBJRHZSA-N 394.471 3.207 0 1 GGAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC 299884909 UQYSELMHEXNYNV-HZGQWHLTSA-N 396.487 3.310 0 1 GGAF CCCOC(=O)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 473082673 KRTKBGVAKDCIEF-HXUWFJFHSA-N 377.444 3.302 0 1 GGAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cnccc2[nH]1 586934566 BQLHANZNGDHAFM-HNNXBMFYSA-N 390.534 3.347 0 1 GGAF CNS(=O)(=O)c1ccc(CCc2nc3ccc4nc(C)ccc4c3[nH]2)cc1 586946605 MWRFPODIZZECMG-UHFFFAOYSA-N 380.473 3.113 0 1 GGAF COc1cc(Br)c([C@H](N)c2nc3cc(Cl)cnc3[nH]2)cc1OC 586976481 UTHIQNVEAJKFPC-ZDUSSCGKSA-N 397.660 3.439 0 1 GGAF O=C1Cc2nc3nc(O)nc(O)c3cc2[C@H](c2cccc(C(F)(F)F)c2)C1 587368331 NPQNVJTYLYWVFR-NSHDSACASA-N 375.306 3.102 0 1 GGAF COc1ccc(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587386843 LYOAAATVPBBYHB-OAQYLSRUSA-N 384.432 3.347 0 1 GGAF CCOC(=O)COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587401455 RDVCNABAAMWLFN-SFHVURJKSA-N 385.416 3.234 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCOCC4)c(F)c1)[C@@H](C2)C3=O 587426661 OSHRBGYPJDAZIL-AOMKIAJQSA-N 383.419 3.334 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)N(C)C)CC2)N1 587767021 IBUKRDMARXAGJB-NSHDSACASA-N 384.293 3.095 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3c(c2)OCCN3C)N1 587774440 NPZWIAIEZJGARI-BMLIUANNSA-N 392.272 3.435 0 1 GGAF CCOC(=O)[C@@H]1CC[C@]2(CO1)N[C@H](C)Cc1ccc(F)c(Br)c12 587831324 IAUOMUQUZHBLOO-ANTHHZPCSA-N 386.261 3.060 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)N1CCOCC1 587867046 QREGNJWHBFBFPA-UHFFFAOYSA-N 385.411 3.433 0 1 GGAF COc1cccc2oc3c(c(=O)c12)CC[C@@H]1[C@H]2CCCN4CCC[C@@H](CN31)[C@@H]24 1857584032 AADQTZYPFHEAIQ-GAPZROTKSA-N 380.488 3.427 0 1 GGAF CCC[C@H](CO)[C@@H]1CC[C@@](CCc2ccc(O)c(OC)c2)(OC(C)=O)C[C@@H]1O 2356373748 HHIUIIAWEHLAIJ-YSNWRPKNSA-N 394.508 3.205 0 1 GGAF NS(=O)(=O)Oc1ccc2sc(C34CC5CC(CC(C5)C3)C4)cc(=O)c2c1 3982039 MMOYUOZEYZMXCN-UHFFFAOYSA-N 391.514 3.312 0 1 GGAF Cn1ccnc1[C@@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1 117894731 LJXPYHXSPQXFKB-DLBZAZTESA-N 379.370 3.234 0 1 GGAF CN1C(=O)c2cc(Br)c(Br)n2[C@H]2[C@@H]1C2(Cl)Cl 28819709 YVBOXWNZWXPTHZ-RITPCOANSA-N 388.874 3.196 0 1 GGAF COc1ccc([C@@H]2OC[C@H]3O[C@@H](c4ccccc4)[C@H](OC)[C@@H](OC)[C@@H]3O2)cc1 28572048 LQPNKTSVPKKUOH-NPQLIOMISA-N 386.444 3.279 0 1 GGAF COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC(=O)[C@]2(O)[C@H](C)O)C1 2356424156 KYGPNWVAMZIKIS-OVZMFXCOSA-N 394.552 3.309 0 1 GGAF COc1ccc2c(c1)CN(C(=O)c1ccnc(Cl)c1)CC[C@@H]1COC(=O)N21 2356531316 VQWXBMDRNXANOP-CQSZACIVSA-N 387.823 3.115 0 1 GGAF Cc1cccc(CN2CCC(COc3cccc4nc(N)nc(N)c34)CC2)c1 28971706 VPGUMRXGEXEOBQ-UHFFFAOYSA-N 377.492 3.394 0 1 GGAF CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1ccc2ccccc2c1 27311673 AXTKUUGLRMYPBN-QZTJIDSGSA-N 399.468 3.137 0 1 GGAF COc1c(CC=C(C)C)cc([C@H]2COc3cc(O)cc(O)c3C2=O)c(O)c1O 14648405 ZJCPPBADWSSZIL-CQSZACIVSA-N 386.400 3.385 0 1 GGAF biogenic CCN1C(NCCc2ccccn2)=N[C@@H](c2cccs2)C(C(=O)OC)=C1C 36381732 CFEHMLBOAUUWKQ-SFHVURJKSA-N 384.505 3.155 0 1 GGAF CC1CCN(c2nc3n[nH]c(N)c3c3c2CN(Cc2ccccc2)CC3)CC1 49069054 LFMDMGSQINGLBB-UHFFFAOYSA-N 376.508 3.335 0 1 GGAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(C(=O)O)cc3)C[C@H]1C=N2 49807913 SQUFTZRTPQGSHW-HNNXBMFYSA-N 378.384 3.374 0 1 GGAF CCN(CC)c1nc(NCCNC(=O)c2ccc(F)cc2)c2ccccc2n1 40802244 GPVSSMXTGGDIAA-UHFFFAOYSA-N 381.455 3.457 0 1 GGAF CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H]2C[C@@H]([C@H]3C[C@H](C)C(=O)O3)N3CCCC[C@@H]1[C@H]23 255214342 GYOGHROCTSEKDY-LOLNYAPOSA-N 375.509 3.015 0 1 GGAF Cc1ccc(N=c2c(C(N)=O)c[nH]c3ccc(-c4csc(=N)[nH]4)cc23)cc1 473125581 RDWQYWIYZZWNTJ-UHFFFAOYSA-N 375.457 3.344 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CN2CCN(C)CC2)N1 587764279 CWZRALLLYUEOGU-FZKQIMNGSA-N 398.364 3.437 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(O)ccc(N)c41)[C@@H](C2)C3=O 587430693 AYUAYVXXCQSEDA-OWJWWREXSA-N 399.402 3.219 0 1 GGAF CN(C)CCOc1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1 587178009 LPMGCSGBGNYLDH-UHFFFAOYSA-N 379.233 3.467 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1cc(F)ccc12 587731888 LYHKQEQXNLJTHZ-DYBLOJMWSA-N 393.231 3.482 0 1 GGAF COc1cc(/C=C\c2nc3c(O)nc(=N)[nH]c3[nH]2)cc(Cl)c1OCC(C)C 587046306 FKFIADPZYVQVFR-PLNGDYQASA-N 389.843 3.338 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(O)cc2)N1 587830915 FVJKXHRSBIFIDP-XYZCENFISA-N 380.213 3.156 0 1 GGAF COc1cc(NC(=O)c2cccnc2NCc2ccncc2)cc(OC)c1OC 1772622470 BZSVKKXVJCVDAX-UHFFFAOYSA-N 394.431 3.367 0 1 GGAF O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc(O)cc(Br)c12 1772610088 JKAWTKSLLNVOJM-UHFFFAOYSA-N 379.254 3.279 0 1 GGAF CC[C@@H](C)O[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 169369148 WSZQVSPKYXOCEM-XJKCOSOUSA-N 380.876 3.479 0 1 GGAF Nc1nnc(-c2ccc3[nH]cc(-c4cccc(N5CCOCC5)n4)c3c2)s1 204761566 PHEIFHNTKMTUTE-UHFFFAOYSA-N 378.461 3.167 0 1 GGAF O=C(NCc1cc[n+](Cc2cccc(F)c2)cc1)c1cc2ccccc2oc1=O 1857536326 ALKSPJVZRZJGIG-UHFFFAOYSA-O 389.406 3.198 0 1 GGAF CC(=O)c1ccc(-c2cccc(NC(=O)CCc3ccc4c(c3)COB4O)c2)cc1 1857555550 RBKNWIBRQAKIKA-UHFFFAOYSA-N 399.255 3.345 0 1 GGAF CN1CCN(Cc2cn(C)c3ccc(C(=O)Nc4ccc(F)cc4)cc23)CC1 1857602231 NCGJQNMFYUVYGX-UHFFFAOYSA-N 380.467 3.317 0 1 GGAF Cc1coc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)n1 1857638770 MANCXBFBQYGYHX-SFHVURJKSA-N 379.416 3.459 0 1 GGAF CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N(C)C)c1 770320 YPDHQDRMJFXLJM-PZJWPPBQSA-N 381.476 3.331 0 1 GGAF COC(=O)C1=C(C)N2CCCO[C@@]2(C)[C@@H](C(=O)OC)[C@H]1c1cccc(Cl)c1 17220887 AEIJDYWCBYHIFL-QKLQHJQFSA-N 393.867 3.112 0 1 GGAF CC(C)Oc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 28949369 NOHPDTAMJLRXKX-UHFFFAOYSA-N 385.493 3.137 0 1 GGAF COc1ccc(-c2cnc3nc(N)nc(NCc4ccccc4)c3n2)cc1OC 34097322 GSKATBVIQVYFLP-UHFFFAOYSA-N 388.431 3.298 0 1 GGAF O=C(N[C@H](Cc1nc2ccc(F)cc2[nH]1)C(=O)O)c1cc2ccccc2s1 35859430 ZFIXGUXXPXWZHV-CQSZACIVSA-N 383.404 3.342 0 1 GGAF CN(C(=O)c1ccc(F)cc1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 71332395 YQQWBAZTWWZARI-MRXNPFEDSA-N 380.419 3.495 0 1 GGAF Cc1cccc(-c2nc(N3CCOCC3)ncc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 82146281 BQBNQLRAILMFKB-ROUUACIJSA-N 394.519 3.407 0 1 GGAF O=S(=O)(c1ccccc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 100094135 TWMVEFPSPBRJHB-NUNAXRQHSA-N 390.508 3.482 0 1 GGAF COc1ccccc1N1CCN(CC[C@@H]2CCc3ccc(N)cc3[C@H]2O)CC1 103232415 IGSCNTHMJYUKQD-MBSDFSHPSA-N 381.520 3.086 0 1 GGAF C[C@@]1(N)CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1 205257434 STVHGQTYZJFQHJ-JOCHJYFZSA-N 385.475 3.400 0 1 GGAF O=C(NCc1ccc(OC(F)(F)F)c(F)c1)[C@@H]1CCOc2ncsc21 220871274 LMUVWJJNEXSQGT-SECBINFHSA-N 376.331 3.363 0 1 GGAF COc1nccc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c12 586986109 WATROJRPDFBBLO-CQSZACIVSA-N 389.253 3.149 0 1 GGAF N[C@H](c1ccsc1)c1nc2c(I)cnc(Cl)c2[nH]1 587026497 YUWPRXHEJBAXJE-SSDOTTSWSA-N 390.637 3.326 0 1 GGAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587028150 LGDACOREUSLTCE-UHFFFAOYSA-N 387.490 3.240 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c2c1 587059071 MAHRIQGGNLOZTI-KRWDZBQOSA-N 393.896 3.329 0 1 GGAF CN(C)S(=O)(=O)c1cccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c12 587138335 IBAITMBFBRIZJE-UHFFFAOYSA-N 383.395 3.016 0 1 GGAF NC(=O)c1cccc(C[C@H](N)c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587260558 UNONPBJYQRYEQP-IBGZPJMESA-N 386.455 3.483 0 1 GGAF COc1cc2c3c(c1)O[C@H]([C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587435282 FCXJTYNOPZMSPJ-DEYYWGMASA-N 389.448 3.183 0 1 GGAF O=C(O)c1[nH]nc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554238 WMKCTRFQJXPYOB-WBMJQRKESA-N 386.747 3.170 0 1 GGAF CCOC(=O)[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585527 FJJZYJYHMQUVON-PGRDOPGGSA-N 391.379 3.207 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccn(C)n2)N1 587761638 BMFHPPAMBWLSGN-UULLWKHXSA-N 393.304 3.175 0 1 GGAF COc1cccc2c3c(cnc12)CCN[C@@]31c2cc(Cl)ccc2OC[C@@H]1N 963041906 ZSCZPNKHGAVPFC-GHTZIAJQSA-N 381.863 3.006 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc4c3OCCO4)C2)cc1 1772631432 ZEBNPUHTHRJQCR-HNAYVOBHSA-N 382.460 3.313 0 1 GGAF O=C(Nc1nccs1)c1cc(S(=O)(=O)NC2CCCCC2)ccc1F 1857634333 DRHOZRONTKLWLH-UHFFFAOYSA-N 383.470 3.146 0 1 GGAF COc1ccc(-c2coc3c(CC=C(C)CO)c(O)cc(O)c3c2=O)cc1O 2356459633 UCKSAYIMWMIZQJ-UHFFFAOYSA-N 384.384 3.067 0 1 GGAF CC(=O)[C@H](C)[C@](C)(O)C(=O)OC1=CC(C)=CCCC(C)=C[C@@H]2OC(=O)[C@@H](C)[C@H]12 2356517754 SWEZMQZVOMKDJW-JOHRIFJGSA-N 390.476 3.254 0 1 GGAF COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)cc1OC 1379643 SLAPHRBVZIXONL-INIZCTEOSA-N 375.469 3.149 0 3 GGAF Cc1ccn(CC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)n1 11880040 KPSYTGZFFOHSLF-GOSISDBHSA-N 381.455 3.346 0 3 GGAF COc1ccc(-c2cccc(N3CCN(c4ccccn4)CC3)n2)cc1OC 61896008 CQDNUGAGOYBFQL-UHFFFAOYSA-N 376.460 3.487 0 3 GGAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N(C)C 4076702 PDUVFKWYGYVGRG-CTNGQTDRSA-N 381.476 3.331 0 1 GGAF C[C@H]1CN(C)[C@@H]2C[C@H](NC(=O)CCN3CCCCC3)C[C@@]1(c1cccc(O)c1)C2 29478557 GZHJRJMEXYUULM-IKQBDLNTSA-N 399.579 3.125 0 1 GGAF O=C(Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1)c1ccc(Cl)c(Cl)c1 103199755 NHFFGDFTHNSCDJ-AWEZNQCLSA-N 395.267 3.128 0 1 GGAF C[C@@]1(C(=O)NCc2ccco2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61908076 PLUWANWPJASBIT-NRFANRHFSA-N 378.384 3.080 0 3 GGAF COc1ccc(CN(CCCCN)Cc2ccc(OC)cc2OC)c(OC)c1 27656820 LFUMEEGLXXWAKD-UHFFFAOYSA-N 388.508 3.462 0 1 GGAF CN1C(=O)c2cc(Br)c(Br)n2[C@@H]2[C@H]1C2(Cl)Cl 28819707 YVBOXWNZWXPTHZ-NTSWFWBYSA-N 388.874 3.196 0 1 GGAF CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccncc3)CC[C@@H]12 38389072 GCOQAARUFVDXHC-PMACEKPBSA-N 376.504 3.172 0 1 GGAF O=C1CS(=O)(=O)N(Cc2cccc(F)c2)c2ccc(Br)cc21 36382972 GAJRPNDXZQPFIR-UHFFFAOYSA-N 384.226 3.121 0 3 GGAF CC(C)n1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205104 WMEZPFCMVJVDRQ-KRWDZBQOSA-N 396.516 3.301 0 1 GGAF CCCCc1nc2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2[nH]c1=O 82231594 UHDSDNQJSRYMLP-UHFFFAOYSA-N 381.455 3.126 0 1 GGAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)co1 82072796 MPGCFCPHHDXEOT-GOSISDBHSA-N 379.416 3.164 0 1 GGAF CC(C)c1nn(-c2nc(N)nc(-c3ccccn3)n2)c(N)c1C1CCCCC1 230565233 MNQIVQDBRKXHEM-UHFFFAOYSA-N 378.484 3.455 0 1 GGAF OC[C@@H]1[C@@H](c2ccccc2)C2(CN(CCC(F)(F)F)C2)N1Cc1cccnc1 95796796 DTGNUWWJEOCQPO-RTBURBONSA-N 391.437 3.049 0 1 GGAF CC(=O)N1CCc2[nH]c(/C=C3\C(=O)Nc4ccc(C(F)(F)F)cc43)cc2C1 96272955 OQBJXGADOAMRSR-NVNXTCNLSA-N 375.350 3.431 0 1 GGAF CCO[C@@H](CC(=O)NS(C)(=O)=O)c1ccc(OCc2ccccc2C)cc1 473108274 LVYRVKSUBHYBIC-IBGZPJMESA-N 391.489 3.118 0 1 GGAF CCOC(=O)[C@H]1[C@@H](C(=O)c2ccc(OC)cc2)[C@]12C(=O)Nc1ccc(Cl)cc12 473152664 UYVHOFFHBDHGRB-FVJLSDCUSA-N 399.830 3.231 0 1 GGAF NS(=O)(=O)c1cccc(-c2n[nH]c3cc(NC(=O)c4cccs4)ccc23)c1 299824541 HNRWRQXKGQOHEA-UHFFFAOYSA-N 398.469 3.191 0 1 GGAF Oc1ccc(Nc2ncc(Br)c(NC[C@@H]3CCCO3)n2)cc1F 299852267 PPQZOWQQGCUORP-JTQLQIEISA-N 383.221 3.418 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1COCCN1C(=O)OC(C)(C)C)CC2=O 587474355 FJKRCTWMWAPWMT-CRAIPNDOSA-N 391.464 3.314 0 1 GGAF CCOC(=O)[C@@]1(c2cc(F)c(F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587382952 WAQDACWRFVQWNY-IBGZPJMESA-N 379.334 3.418 0 1 GGAF Cc1cc(C)n(Cc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)n1 587653650 ZUVOPGVSHKLTPY-UHFFFAOYSA-N 382.807 3.193 0 1 GGAF O=C1COc2cc3[nH]c(-c4nnn(-c5ccc(F)cc5)c4C4CC4)nc3cc2N1 587168846 OUAGVDCNMYIJLB-UHFFFAOYSA-N 390.378 3.158 0 1 GGAF COc1cc(OC)c2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(C(=O)O)[nH]c2c1 587397086 RUPBEZPWLIAOME-MRXNPFEDSA-N 396.399 3.480 0 1 GGAF COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CN(C)C)cc1F 587650350 SPJYDVUHRLLIPI-UHFFFAOYSA-N 376.453 3.448 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3ccccc3OC2=O)N1 587838146 ASQNGKXVLQDHGP-MLCYQJTMSA-N 376.225 3.479 0 1 GGAF COc1ccc([C@]2(CO)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587806692 IKAFDANOCVJREP-VOJFVSQTSA-N 380.257 3.367 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1ccc(F)cc12 587735251 SRUWRQOZHKBMQA-YYSFKGJASA-N 393.231 3.482 0 1 GGAF CCc1ccc2nc(CCC(=O)Nc3cccc(C(=O)NCCOC)c3)[nH]c2c1 587231767 QFSYGZVEINIITR-UHFFFAOYSA-N 394.475 3.073 0 1 GGAF CCOC(=O)C(C)(C)[C@@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962709615 QWRCLPREDCQYRB-GUYCJALGSA-N 391.361 3.248 0 1 GGAF Fc1cc(I)cc([C@H]2NCCc3nc4ccccn4c32)c1 962989366 ZXBIOGUHOOSKHN-OAHLLOKOSA-N 393.203 3.313 0 1 GGAF CCOC(=O)CC[C@]1(C(F)(F)F)NCCc2cnc3c(OC)cccc3c21 963049239 BJZSTOMWVOGAIL-SFHVURJKSA-N 382.382 3.490 0 1 GGAF O=S(=O)(Nc1cc(Cl)ccc1O)c1cc(Br)ccc1O 1857568923 NVBGVGWRMDACKA-UHFFFAOYSA-N 378.631 3.315 0 1 GGAF COc1cccc(CO)c1-c1cc(F)cc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772618913 MZVXPDLNWZZEDL-MRXNPFEDSA-N 386.379 3.292 0 1 GGAF CCC(=O)N1CC[C@H](Oc2cnnc3ccc(-c4ccc(OC)nc4)cc23)C1 1772616243 GUMGLKLUNYWZLM-INIZCTEOSA-N 378.432 3.090 0 1 GGAF Cc1c(Sc2ccccc2)n(COCCNc2ccccc2)c(=O)[nH]c1=O 5930280 QUFNPTFSHIXHPR-UHFFFAOYSA-N 383.473 3.082 0 1 GGAF CCCOc1ccccc1Cn1cnc2c(OC)c(OC)c(OC)cc2c1=O 12360799 NDXCJLVHTUXRFB-UHFFFAOYSA-N 384.432 3.259 0 1 GGAF CCOc1cc(Cc2cnc(N)nc2N)ccc1OCCCOc1ccccc1 13532899 QGCOTQUIEYWUEI-UHFFFAOYSA-N 394.475 3.478 0 1 GGAF COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC2)CC1 169303099 APPCZJXBJAFQOV-UHFFFAOYSA-N 382.302 3.132 0 3 GGAF C[C@]12Cc3c(n[nH]c3S(C)(=O)=O)C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 169315719 ZDVQIHHSZCHGCK-QMDQOEIISA-N 392.565 3.132 0 1 GGAF COC1CCC2(CC1)Cc1ccc(-c3cccnc3)cc1[C@]21N=C(N)N(C)O1 169700345 KRSRADYOCUBYFY-FQUBMZHMSA-N 378.476 3.225 0 1 GGAF CCOc1ccc(F)cc1[C@H](C)NC(=O)NS(=O)(=O)c1ccc(C)cc1 1857634996 GOUDJOOBCKGEDP-ZDUSSCGKSA-N 380.441 3.282 0 1 GGAF Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccn3)c3ccccc3N(C)C2=O)c1 13732989 FEOFIDRZRJFJTQ-OAQYLSRUSA-N 399.454 3.352 0 1 GGAF CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc(Cl)cc2)c1=O 25230585 FNAOMYVDVAEQEO-HIFRSBDPSA-N 388.920 3.477 0 1 GGAF biogenic CCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cc(C(F)(F)F)ccc21 26578250 FBHOZQQLUQDXLO-UHFFFAOYSA-N 389.377 3.408 0 1 GGAF NCc1noc(-c2nn(Cc3cccc(OC(F)(F)F)c3)c3ccccc23)n1 40876697 SAEGRDNWMKHMDI-UHFFFAOYSA-N 389.337 3.492 0 1 GGAF CCc1nc2ccccc2c(=O)n1NC(=O)Nc1ccc(Br)cc1 45301715 PJVQHUGNOJZXNY-UHFFFAOYSA-N 387.237 3.497 0 1 GGAF COc1ccc([C@@H]2NC(=S)N[C@H](c3ccc4c(c3)CCCC4)C2=O)cc1OC 49088064 LKCKVHMDLOUBCB-UXHICEINSA-N 396.512 3.412 0 1 GGAF O=C1COc2ccc([C@]3(O)c4ccccc4C(=O)N3c3cccc(F)c3)cc2N1 59203334 FHABBMMGGOBOLS-QFIPXVFZSA-N 390.370 3.010 0 1 GGAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCC[C@H]2C1CNC1 81052779 GXNKIGSOSHHNIC-SFHVURJKSA-N 389.459 3.017 0 1 GGAF CCOC(=O)c1c(-c2cccc(OC)c2)[nH]c2cc(OC)c(OC)cc2c1=O 95552297 WCVOTBHYYQWYRD-UHFFFAOYSA-N 383.400 3.398 0 1 GGAF COC(=O)[C@H]1[C@@H](c2cccc(I)c2)C[C@H]2CC[C@H]1N2C 101778956 XUBVUMLIQBPHGD-TUVASFSCSA-N 385.245 3.031 0 1 GGAF COc1ccccc1[C@H]1CC(c2ccc(N3CCOCC3)cc2)=NN1C(C)=O 103204467 ISCQGDUQTYCHFI-OAQYLSRUSA-N 379.460 3.229 0 1 GGAF COc1cc(NS(=O)(=O)c2ccccc2OC)ccc1-n1cnc(Cl)c1 103235431 GIGQYZYDRZCGMX-UHFFFAOYSA-N 393.852 3.344 0 1 GGAF COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@H]3C[C@@H]12 149663332 DTDADHMBRZKXSC-GHHTXBMSSA-N 382.460 3.187 0 1 GGAF O=C(O)CCC(=O)N[C@@H](CC(=O)O)Cc1ccc(-c2ccc(Cl)cc2)cc1 165976615 FQVJMVQKEAEUSI-QGZVFWFLSA-N 389.835 3.374 0 1 GGAF CCOc1cc([C@H]2NC(=O)N=C(C)[C@@H]2C(=O)OCc2ccccc2)ccc1O 169687861 RUMGUDLNKZKREJ-RBUKOAKNSA-N 382.416 3.376 0 1 GGAF CN1C[C@H](Cn2cc(O)[nH]c2=O)C[C@@H]2c3cc(C(C)(C)C)cc4[nH]cc(c34)C[C@H]21 169715796 PPTOLRVWTPEUES-VVFCZOMOSA-N 394.519 3.321 0 1 GGAF CCN(C)c1ncc(C)c(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 261192939 ZUHLCRNRNPBDED-OXJNMPFZSA-N 397.523 3.096 0 1 GGAF COc1ccccc1OC(=O)C[C@@H]1C=NN2c3cc(Cl)ccc3[N+](=O)N[C@H]12 377605802 QOYVWYKKYMNDJL-ZMZPIMSZSA-N 387.803 3.021 0 1 GGAF COc1ccccc1CCNC[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@]3(C)[C@@H](O)[C@@H]21 504517466 XTTGKVUTQFWVDF-PKZVKVJXSA-N 399.531 3.112 0 1 GGAF biogenic COc1cc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cc1F 587094085 JMJZHXWNUBVYQH-CQSZACIVSA-N 375.347 3.468 0 1 GGAF O=C1COc2cc3[nH]c(Cn4nc(C(F)(F)F)c5c4CCCC5)nc3cc2N1 587119545 DWRPIAMNNZKOGZ-UHFFFAOYSA-N 391.353 3.036 0 1 GGAF Cc1nc2[nH]c(CCNC(=O)OCc3ccccc3)nc2cc1Br 587228153 HDVFLDWKOBVSJY-UHFFFAOYSA-N 389.253 3.498 0 1 GGAF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 587234318 DVZKCUDHKGHPKP-VXGBXAGGSA-N 382.395 3.082 0 1 GGAF C[C@]1(c2cnc(C(=O)O)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337634 LZFYOXUZKXOGEV-GHTZIAJQSA-N 394.358 3.294 0 1 GGAF C[C@]1(c2cc(C(=O)O)no2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347888 QLEUFUCIUULONU-YLJYHZDGSA-N 383.331 3.492 0 1 GGAF COc1cc2c3c(c1)OC1(CCN(C(=O)c4cccc(C)c4)CC1)[C@@H](C2)C3=O 587439087 SVKBZIQXTOMQFP-SFHVURJKSA-N 377.440 3.426 0 1 GGAF Cn1nnnc1COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587517189 IPFXNRPWKVDMNH-HXUWFJFHSA-N 390.443 3.374 0 1 GGAF COc1ccc(CCCc2nc3nc(Br)c[nH]c-3n2)cc1OC 587925548 FBFZNUWEQQMGJO-UHFFFAOYSA-N 377.242 3.260 0 1 GGAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 587937585 PPMSAGIGNXSSMK-VFNWGFHPSA-N 381.476 3.241 0 1 GGAF Fc1ccc(-c2noc([C@H]3CCc4c(nnn4-c4ccc(F)nc4)C3)n2)cc1 653753987 KJEWSUMYPRQCGB-LBPRGKRZSA-N 380.358 3.263 0 1 GGAF CCOc1cccc2cc([C@]3(C)NCCc4c3c(C(C)C)nn4C)c(=O)oc12 962915021 SXKGROKSJVRLJO-QFIPXVFZSA-N 381.476 3.458 0 1 GGAF CC(=O)Oc1ccccc1[C@]1(C(F)(F)F)NCCc2c1c(C(C)C)nn2C 962915394 HSRRQEDRJVWLOF-SFHVURJKSA-N 381.398 3.420 0 1 GGAF CCOC(=O)c1cc([C@@]2(C)NCCc3c(C(=O)O)cccc32)ccc1OCC 963135171 XHKQGVYGZKURMB-JOCHJYFZSA-N 383.444 3.369 0 1 GGAF CCc1c(CC2CCCCC2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O 1772614528 KUPJEQQZAHHOQC-UHFFFAOYSA-N 390.455 3.246 0 1 GGAF CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1cccnc1)[C@@H]23 1772646044 IQTQEKPNPISQRL-NBYUQASBSA-N 377.554 3.135 0 1 GGAF CC(C)OC(=O)c1c(NC(=S)N2CCN(C)CC2)sc2c1CCCC2 1857548093 YTHOHXPIDWGUCB-UHFFFAOYSA-N 381.567 3.136 0 1 GGAF COC(=O)C1=NN(c2ccc(C)cc2)[C@]2(C)C[C@@H](c3ccccc3)N(C)CCN12 2356834548 KCKDVBHHSKMPEC-NZQKXSOJSA-N 392.503 3.397 0 1 GGAF O=C1Nc2ccccc2[C@](O)(C(=O)NC2CC2)N1c1ccc(Cl)c(Cl)c1 3665934 JKXNEWQEOGIYSJ-SFHVURJKSA-N 392.242 3.469 0 3 GGAF COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2C)CC1 4035288 WNNUKGVPJHKUEM-UHFFFAOYSA-N 382.508 3.337 0 3 GGAF Cc1ccc(NC(=O)c2ncn(CC(=O)NC[C@@H](C)c3ccccc3)n2)cc1C 61945193 CPAWJELSSYRAIS-QGZVFWFLSA-N 391.475 3.067 0 3 GGAF O=C1N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3c(=O)n2-c2ccccc21 61949281 HGQMJTMJFMBRAN-IBGZPJMESA-N 383.407 3.119 0 3 GGAF CC(C)N1C(=O)CN(Cc2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)C1=O 13492833 KRZZBQZXBOVMQQ-UHFFFAOYSA-N 384.219 3.346 0 1 GGAF N=C(NCCCc1c[nH]cn1)NCC[C@@H](c1ccc(F)cc1)c1cccnc1 13816221 KTMAFZLSQIGBSH-FQEVSTJZSA-N 380.471 3.213 0 1 GGAF CC[C@](O)(c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 26009371 PDFMFDPALQMUDC-OALUTQOASA-N 375.831 3.256 0 1 GGAF CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)C(=O)Nc1ccccc1 27323582 ZVPAIELEHKCIBT-QGZVFWFLSA-N 399.472 3.123 0 1 GGAF COc1cc2c(cc1OCc1ccccc1)N=C[C@@H]1CC(CCO)=CN1C2=O 29546573 VETTVCNQYMHBGV-KRWDZBQOSA-N 378.428 3.471 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@@H](CN1CCC(O)(c3ccccc3)CC1)CC2 38192518 OEMZSJXPCJVMGB-GOSISDBHSA-N 395.499 3.433 0 1 GGAF COC(=O)c1ccc(OC)c(CSc2nc3ccccc3n2CC(=O)O)c1 38267895 RPGPNPQJGLKDDR-UHFFFAOYSA-N 386.429 3.208 0 1 GGAF CN(Cc1ccc(F)cc1)c1ccc2ncc(-c3ccc(C(N)=O)cc3)n2n1 40429402 ARTKECIZSLAWRG-UHFFFAOYSA-N 375.407 3.271 0 1 GGAF O=C(CNc1ccc(Cl)cc1)N1CCCN(Cc2nc3ccccc3[nH]2)CC1 49088489 JVZXMVGBGQXARZ-UHFFFAOYSA-N 397.910 3.363 0 1 GGAF C[C@H](N)CNc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1 66167122 AFCBIBSYJSKCST-ZDUSSCGKSA-N 380.473 3.308 0 1 GGAF CC(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)c1cccc(F)c1)C2 95573742 QEFBVYLOMXSXBT-UHFFFAOYSA-N 392.390 3.091 0 1 GGAF CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)cs2)CC1 100830511 AUBOGZYAGLUUGF-JNSHFYNHSA-N 383.514 3.469 0 1 GGAF O=C1[C@@H]([C@H](O)c2ccc3c(c2)OCCO3)CCCN1C/C=C/c1ccccc1 103280842 IZTBJFHZCNUHHX-DYQYTNFYSA-N 379.456 3.443 0 1 GGAF Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCC3)n2)cc1C1CC1 148071527 YUDQOIVNJQZVLQ-NGRWLJPCSA-N 391.519 3.174 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)N4CCCC4)cc1)[C@@H](C2)C3=O 587440628 BMSXRYIWGLWJMN-FDDCHVKYSA-N 393.439 3.185 0 1 GGAF CCn1ncc(C(=O)c2c(C(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)c1C 587650308 RLZYBALHGPFPQP-UHFFFAOYSA-N 381.404 3.265 0 1 GGAF CCOC(=O)[C@]1(CC(=O)C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587799889 UQZJZDGHJMYXPG-MLCYQJTMSA-N 398.272 3.250 0 1 GGAF Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1 653696884 SLIPPDWMEGYOAJ-UHFFFAOYSA-N 382.763 3.084 0 1 GGAF COc1cc(OC)c2c(=O)cc(NCCc3ccc(OC)c(OC)c3)oc2c1 653707841 XIMPKBGBRDGPHU-UHFFFAOYSA-N 385.416 3.482 0 1 GGAF COc1cccc([C@]2(c3cccc(C)n3)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962919764 LNEUXVHQUMYYDV-REWPJTCUSA-N 392.430 3.429 0 1 GGAF Cc1ccc2ncc([C@@H]3N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)n2c1 962967584 BKUDUWFNCVEVPW-SJCJKPOMSA-N 377.778 3.263 0 1 GGAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](N[C@H](C)CO)(c1ccccc1)C(=O)N2 1772598203 JQGLKQWMMRCIIG-DMZKTXOQSA-N 377.444 3.125 0 1 GGAF CC(C)n1c(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)nc2ccccc21 1772609801 KUGMRYQSBMQBBH-WJDWOHSUSA-N 398.488 3.276 0 1 GGAF CN(CCN(C)C(=O)n1cccn1)Cc1ccc(OCc2ccccc2)cc1 1857599948 JZCSJUKKBQNHDL-UHFFFAOYSA-N 378.476 3.494 0 1 GGAF Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1nc(O)cc(C(C)(C)C)n1 1857618861 FBBYDPGXOJXJTA-UHFFFAOYSA-N 391.475 3.172 0 1 GGAF CC1(C)[C@@H](c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1noc(-c2ccc(F)cc2)n1 1857648758 JOIPVKADAABUBT-JKSUJKDBSA-N 387.436 3.430 0 1 GGAF C[C@@H](O)c1onc(-c2cccs2)c1C(=O)N1CCN(c2ccccc2)CC1 2356303476 VVLRYORXWANBFE-CQSZACIVSA-N 383.473 3.419 0 1 GGAF CCCC[C@@H]1[C@H]2C[C@@H]3[C@@H]4C(=C[C@@H](CN13)O2)OC(=C1OC(=O)C(C)=C1OC)[C@H]4C 2356471320 OWMYSJJZAWEDSL-FCTVGVJYSA-N 387.476 3.256 0 1 GGAF O=C(COc1cccc2c1CCN(Cc1ccccc1)C2=O)NCc1ccco1 2716353 XDXCOAOQOLLTPL-UHFFFAOYSA-N 390.439 3.173 0 3 GGAF COc1ccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1O 103268891 UAODLIKHAONUEI-UHFFFAOYSA-N 391.474 3.270 0 1 GGAF COc1ccc2c(c1)[C@@H](NCCN1CCN(c3ccccc3OC)CC1)CCC2 22937537 JCKQMQMMZHMRFM-QFIPXVFZSA-N 395.547 3.493 0 1 GGAF C[C@H](CCCO)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356490992 BMSROUVLRAQRBY-RCLXOORFSA-N 394.596 3.356 0 1 GGAF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)COC2=O)cc1OC 49113011 NSERFLUCMWRPGI-UHFFFAOYSA-N 386.400 3.197 0 1 GGAF C[C@]1(C(=O)Nc2cccnc2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61895473 KQXNQCRNSLZYBL-OAQYLSRUSA-N 375.384 3.205 0 3 GGAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](CC4=CN[C](N)C=C4)C3)CC[C@H]1[C@](N)(CCO)C2 2356816048 XNNHYAGAUNVFAL-XIQGKOAISA-N 388.576 3.102 0 1 GGAF Cc1nc(-c2ccco2)cc([C@@H]2CN3CC[C@H]2C[C@H]3CNCc2ccccn2)n1 2356861329 UHROYYKZPVOYCZ-YSIASYRMSA-N 389.503 3.408 0 1 GGAF COc1ccc(COC[C@H](Cn2ccnc2)OCc2ccc(C(=O)O)cc2)cc1 36242177 HZUHJKIQXMNCDR-NRFANRHFSA-N 396.443 3.392 0 1 GGAF CCCCOc1cc(F)c(-c2ccc(CCC(N)(CO)CO)cc2)cc1F 49069932 OZWKWWBMNBOSRJ-UHFFFAOYSA-N 379.447 3.425 0 1 GGAF CC[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82208060 XLTGFMLLKKLNJS-INIZCTEOSA-N 388.487 3.250 0 1 GGAF Cc1ccc([C@](C)(O)CO)cc1-c1nnc2c(C)nc3ccc(C4CC4)nc3n12 145971791 DVLAFODZVUERBN-JOCHJYFZSA-N 389.459 3.034 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@H](C)CN(C)C 299883210 QYEQWAMLFYUAEE-QGCDCVKKSA-N 395.503 3.243 0 1 GGAF Cc1csc([C@@](O)(Cc2nc3cc4c(cc3[nH]2)OCCO4)C(F)(F)F)n1 587092896 BNPFVRNDRQHSOT-HNNXBMFYSA-N 385.367 3.092 0 1 GGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Cl)ncc2[nH]1 587120810 GTUOEPUHPGONPN-UHFFFAOYSA-N 396.760 3.035 0 1 GGAF CC1(C)C[C@@]2(C=C(C(=O)O)O1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617696 QNBWPKWZERAQQV-IIBYNOLFSA-N 382.368 3.260 0 1 GGAF O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccn2N1 587342021 YGDVYBHXBAGBIL-TZIWHRDSSA-N 378.359 3.061 0 1 GGAF CCOC(=O)C[C@@]1(c2sc(C)nc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451324 NETIBMGNCBDNMJ-JLTOFOAXSA-N 387.457 3.365 0 1 GGAF COC(=O)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587775359 ZJMFSVJSSXQHTB-JDNHERCYSA-N 379.229 3.393 0 1 GGAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc3nc(O)[nH]c3cc2[nH]1 587044067 YJXUOMMKSYPBAK-CQSZACIVSA-N 385.836 3.454 0 1 GGAF COc1cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2cc1F 586955539 KHFQPCKBHFKCKF-UHFFFAOYSA-N 395.843 3.425 0 1 GGAF COc1cc2c3c(c1)O[C@H]([C@@H]1CCN(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 587437428 IJPKZWTXTIVJBW-FXCLAUTBSA-N 393.439 3.470 0 1 GGAF COc1c(F)cc([C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c(C)c1Cl 963521375 BPISHPLCKIPMQA-YOEHRIQHSA-N 379.815 3.498 0 1 GGAF O=C(O)c1ccc([C@H](CO)Nc2cc(Br)cc3[nH]ncc23)cc1 1772654351 VUTVNXQZJTXFKK-HNNXBMFYSA-N 376.210 3.169 0 1 GGAF C[C@H]1O[C@@H](n2cc(-c3ccco3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 13809506 SOQZQWGPTCHIQG-CNZTYRRKSA-N 392.415 3.074 0 1 GGAF O=c1c2ccc(-c3cccnc3)cc2n2nc(-c3ccccc3)cc2n1CCO 169350979 KSNWGOKZUICFQD-UHFFFAOYSA-N 382.423 3.371 0 1 GGAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)c1ccc2nccn2c1 205801088 LQAPARJGASQPRL-MRXNPFEDSA-N 384.480 3.101 0 1 GGAF Fc1ccc(-c2nc3ccc(N4C[C@H]5C[C@H]4CN5)nn3c2-c2ccncc2)cc1 1857535109 CFBORTHRXUCBPD-MSOLQXFVSA-N 386.434 3.148 0 1 GGAF NCc1cc(Oc2cccc(C(=O)Nc3cncnc3)c2)nc(C(F)(F)F)c1 1857544032 FPLKJFFVGGPDSH-UHFFFAOYSA-N 389.337 3.394 0 1 GGAF CC(C)S(=O)(=O)N[C@H]1CCC[C@H]1c1ccc(I)cc1 13473548 HIEFOCVVJHTIMX-KBPBESRZSA-N 393.290 3.255 0 1 GGAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 772051 LOTZTURGWJIAKW-PZPSRYQVSA-N 375.856 3.091 0 1 GGAF O=C(O)C[C@H]1CCN(Cc2ccccn2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 2356302664 LJCRJVBGLBOGBY-CABCVRRESA-N 382.439 3.253 0 1 GGAF COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 4043493 HIBHUENMPHKSLF-HKUYNNGSSA-N 387.505 3.059 0 1 GGAF CCN(C(=O)CCC(=O)O)c1nc(CC(=O)Nc2ccc(Cl)cc2)cs1 4187184 NINORNIBHACRCA-UHFFFAOYSA-N 395.868 3.195 0 1 GGAF COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(N(C)C)nc32)c1 4238962 NVJLABOCTFNIAL-UHFFFAOYSA-N 393.472 3.038 0 1 GGAF CC[C@H](C)NC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 6901484 ATFGYUOPCXQOJP-INIZCTEOSA-N 391.537 3.121 0 3 GGAF CCCCN(C)C(=O)Cn1cc2c(n1)-c1c(oc(C(=O)N3CCCC3)c1C)CC2 20510614 OVUQANRKXZWRIS-UHFFFAOYSA-N 398.507 3.045 0 1 GGAF Cc1nc(C)c(CN2CCN(Cc3ccccc3Br)CC2)nc1C 28713659 DYUYMIFEHMNDQO-UHFFFAOYSA-N 389.341 3.482 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)[C@H]1c1cccc(C)c1 72137760 XLJBUMWPIJOOFU-IBGZPJMESA-N 389.448 3.369 0 3 GGAF CCOC(=O)c1cc2c(cc1Oc1c(OC)ccc3c1C(=O)N(C)CC3)OCO2 13385044 DPZCFIAGDKRHBR-UHFFFAOYSA-N 399.399 3.021 0 1 GGAF biogenic Cc1cnc(N)c(CNC(=S)Nc2ccc(OC(=O)OC(C)(C)C)cc2)n1 71295207 DCFABICHFBVXIW-UHFFFAOYSA-N 389.481 3.168 0 1 GGAF COc1ccc2c(c1)-c1cc(OC)c(OC)cc1[C@H]1CN3CCC[C@H]3[C@@H](O)[C@@H]21 1911584530 BJNCGSCVPRHTNV-CQIJRDABSA-N 381.472 3.399 0 1 GGAF COc1ccccc1SC[C@H](O)CN[C@H]1COc2ccccc2SC1 40891863 IMHOUWDBJOYBHV-LSDHHAIUSA-N 377.531 3.291 0 1 GGAF O=S(=O)(c1ccc2nc(N3CCNCC3)oc2c1)c1cccc2ccccc12 40863730 XIXJSYHSMPCRSE-UHFFFAOYSA-N 393.468 3.223 0 1 GGAF CC(=O)C[C@]1(O)C(=O)c2cc3c(c4c(C)cc(O)c(c24)C1=O)O[C@H](C)C3(C)C 40835429 WQZQJCVZIJHWNU-XFNZEKPQSA-N 382.412 3.002 0 1 GGAF Cc1c(-c2ccnn2C)sc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12 223670705 SVJMDUCZJDSJNH-CQSZACIVSA-N 391.504 3.236 0 1 GGAF C=CC(=O)Nc1cccc(Oc2nc(Nc3ccn(C)n3)nc3[nH]ccc23)c1 220381600 ZOLXJDSFGCNIAL-UHFFFAOYSA-N 375.392 3.352 0 1 GGAF O=c1n(CCc2ccc3ccccc3n2)nc2cccc(NCc3cccnc3)n12 147496298 XHGKRIBJRZVCMH-UHFFFAOYSA-N 396.454 3.294 0 1 GGAF O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2nccn2c1 96282791 KBFXHILUYQCFMA-UHFFFAOYSA-N 391.452 3.097 0 1 GGAF CC(=O)N1C[C@@H]2CN(Cc3ccc(Oc4nc5ncccc5s4)cc3)C[C@@H]2C1 95558933 MWUSGACKQRXZRZ-CALCHBBNSA-N 394.500 3.394 0 1 GGAF C[C@@H]1CN(C)[C@H]2C[C@H](NC(=O)CCN3CCCCC3)C[C@@]1(c1cccc(O)c1)C2 253633251 GZHJRJMEXYUULM-KDNSLJGTSA-N 399.579 3.125 0 1 GGAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 299874725 BWFNWTQSSQPUDX-YQQAZPJKSA-N 378.881 3.380 0 1 GGAF Oc1cccc([C@@H](O)c2nc3c(Br)cnc(Br)c3[nH]2)c1 586889487 FTZRVKJTJJYTJE-LLVKDONJSA-N 399.042 3.270 0 1 GGAF C[C@@]1(c2cc(C(=O)O)[nH]n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344165 GCNPGJVNPBRACB-XLIONFOSSA-N 382.347 3.227 0 1 GGAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(N)c(N)cc2[nH]1 587181261 PQKOAOPYDZGGLY-SSDOTTSWSA-N 396.236 3.166 0 1 GGAF Cc1ccc(S(=O)(=O)N2CC3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)cc1 587534229 XRACFDCIMUOYEG-UHFFFAOYSA-N 397.496 3.282 0 1 GGAF Cc1c(I)cnn1[C@H](C)c1nc2cc(Cl)ncc2[nH]1 587182513 QAYWRHREKPBIDB-SSDOTTSWSA-N 387.612 3.330 0 1 GGAF COc1ccc(/C=C/C[C@H](CO)[C@H](O)c2ccc(OC)c(OC)c2)cc1OC 15117462 CTZAPYMTKXSGQH-NZRBFCARSA-N 388.460 3.466 0 1 GGAF CCc1ccc([C@@H]2C[C@H]3CC[C@@H](N3)[C@@H]2C(=O)OC)cc1I 169316814 BSMPOYNWUIFFDN-OCVGTWLNSA-N 399.272 3.251 0 1 GGAF Cc1nn(CCCO)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2 200987736 LDBAVKBZAANCHX-UHFFFAOYSA-N 381.407 3.378 0 1 GGAF Cc1c(C(=O)N2CCC(C(F)(F)F)CC2)ccn1-c1nc(O)c2c(n1)CCC2 1857591922 HBDVCJKUKSIAMC-UHFFFAOYSA-N 394.397 3.185 0 1 GGAF O=C(N=c1nc2nc(-c3ccccc3)ccn2[nH]1)c1cccc(C(F)(F)F)c1 1857597145 FHTFMPYVAZGSJH-UHFFFAOYSA-N 383.333 3.484 0 1 GGAF COc1ccc(C(F)(F)F)cc1N(C)Cc1cnc2nc(N)nc(N)c2c1C 3815017 FUGFIYPWJLQXJO-UHFFFAOYSA-N 392.385 3.161 0 1 GGAF CN1[C@H]2CC[C@H]1CC(NC(=O)c1cc(=O)n(-c3ccccc3)c3ccccc13)C2 100643189 LGKSUDPSBCMQRR-OALUTQOASA-N 387.483 3.346 0 1 GGAF CC(=O)Nc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@@H](C)CNC4=O)cc1 28902176 OWRNCFRCJDGGCG-NSHDSACASA-N 376.416 3.226 0 1 GGAF c1cc2cc(Cc3cc4ccc(C5=NCCN5)cc4o3)oc2cc1C1=NCCN1 28870061 HZIMLABTEQNOLN-UHFFFAOYSA-N 384.439 3.469 0 1 GGAF CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccc(Cl)cc2)=N1 102007371 SKORVOHLSVUVBH-HOCLYGCPSA-N 394.814 3.296 0 1 GGAF Cc1cccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3S(=O)(=O)c2ccccc2)c1 101837220 QXYZMICFLQFEPP-WOJBJXKFSA-N 398.528 3.499 0 1 GGAF CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnc2n1 28571868 PFJHXYJLEIZLGQ-UHFFFAOYSA-N 385.349 3.498 0 1 GGAF O=c1[nH]nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1 66259483 LCBNUBGZQBBNPG-UHFFFAOYSA-N 387.443 3.367 0 1 GGAF O=C(Nc1ccc(N2CCOCC2)cc1)c1cccnc1NCc1ccncc1 113809511 VZJQHOLMSQVHAC-UHFFFAOYSA-N 389.459 3.178 0 1 GGAF O=C(NC[C@@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@H]1O)c1ccccc1 2356486630 YNSJHBJTCSDWNJ-VWPQPMDRSA-N 392.455 3.223 0 1 GGAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5n[nH]c(S(C)(=O)=O)c5C[C@@]43C)[C@@H]1CC[C@@H]2O 26186646 ZDVQIHHSZCHGCK-AVHKQUAHSA-N 392.565 3.132 0 1 GGAF CSC1=C(Cc2nc(C(=O)O)cc3c2[nH]c2ccc(O)cc23)N(C)CN1C 2356781712 BSLKRAGGUZRZGM-UHFFFAOYSA-N 384.461 3.029 0 1 GGAF CCOC(=O)CN1C(=O)[C@@]2(CC(C)=C[C@H](C)O2)c2c(Br)cccc21 66114197 WNGRHFOZZPJEOQ-KPZWWZAWSA-N 394.265 3.309 0 1 GGAF CC(C)c1cc([S@@](=O)c2c(Cl)cc(CC(=O)O)cc2Cl)nnc1O 34842581 YNXHQQAZZSIQKZ-DEOSSOPVSA-N 389.260 3.406 0 1 GGAF C[S@](=O)c1[nH]cnc1Cn1c2cnccc2c2ccc(Br)cc21 13452989 DJJPCRDJWUYAND-HSZRJFAPSA-N 389.278 3.461 0 1 GGAF biogenic NC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCO4)n(-c3nccs3)n2)cc1 43121949 WJAQHDZXUISIIT-UHFFFAOYSA-N 390.424 3.490 0 1 GGAF O=C(Nc1ccn(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccccn1 198491085 DLNLCIFGMRPUKZ-UHFFFAOYSA-N 395.362 3.391 0 1 GGAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccccc3F)n2)C1 82150949 AKMHHYNXWJFGMP-HOTGVXAUSA-N 398.482 3.237 0 1 GGAF CN1C(=O)N(c2ccnc(F)c2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl 95565893 RFYKXDCIAXHQEU-AWEZNQCLSA-N 397.237 3.084 0 1 GGAF Cc1cc(-c2cnn(CC(N)=O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144871765 ATFQWTQFMRQWII-LJQANCHMSA-N 387.361 3.122 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)C[C@H]4CCCO4)ncc23)ccn1 261156437 QBDMWBDEIGCWPX-UKRRQHHQSA-N 380.452 3.407 0 1 GGAF COc1cc2c(Nc3ccc(F)cc3C)ncnc2cc1OC[C@@H]1CNCCO1 299823887 AWRZHEOLIDVSKR-HNNXBMFYSA-N 398.438 3.197 0 1 GGAF Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc2nncn12 587776344 WUVMXSCHBRJWSY-HUTHGQBESA-N 390.260 3.132 0 1 GGAF CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(F)ccc21 587568246 GZXKFRYGXFIAEN-PGRDOPGGSA-N 391.354 3.365 0 1 GGAF COc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccn1 587656455 KUIHYEWAXPJBOY-UHFFFAOYSA-N 393.349 3.434 0 1 GGAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O[C@@H](C)C(=O)O 587438281 DTRDQCJBELNWAK-UYWYVWFRSA-N 398.411 3.435 0 1 GGAF COc1cc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ncn1 587780001 XGSICGQLPPVWHG-QGHHPUGFSA-N 380.261 3.379 0 1 GGAF COc1cc(Br)cnc1[C@H]1N[C@@H](C)Cc2c(OC)ccc(OC)c21 963635111 LLGOBXFTKBBMEF-YPMLDQLKSA-N 393.281 3.494 0 1 GGAF COC[C@@H]1CCN(C(=O)c2cc(COc3cccc(C(F)(F)F)c3)[nH]n2)C1 11933582 OMQURDVYZOWZMC-GFCCVEGCSA-N 383.370 3.116 0 1 GGAF Cc1nc(C)n(CC(=O)N2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)n1 13596282 XNMZZQNBJWQRKM-GOSISDBHSA-N 376.460 3.170 0 3 GGAF O=C(Nc1ccc(C(=O)N2C[C@H]3OCC[C@@H]3C2)cc1)N1Cc2ccccc2C1 166791803 MLYZHMWGAPIEOP-UYAOXDASSA-N 377.444 3.095 0 1 GGAF COC(=O)N1N=C(c2cccc(O)c2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 1857610146 FDIDXHRJEOLVJO-MRXNPFEDSA-N 386.404 3.336 0 1 GGAF Cc1cc(C)c2c(=O)n(CC(=O)NCCc3ccc(Cl)cc3)sc2n1 5036199 JQCLKVSUROUXAF-UHFFFAOYSA-N 375.881 3.087 0 1 GGAF COc1cc([C@H]2OC(c3ccccc3N(C)C)=NN2C(C)=O)cc(OC)c1OC 27518511 LNCNMEFDCAUGDP-OAQYLSRUSA-N 399.447 3.018 0 1 GGAF COc1cc(O)c(Cl)c2c1C(=O)O[C@H](C)CCCCC[C@H](O)CC(=O)C2 31167238 OFCMNCCBXOEQGQ-NEPJUHHUSA-N 384.856 3.426 0 1 GGAF biogenic COc1ccc2c(c1)c(CCNC(C)=O)c1n2C[C@H]2Cc3ccccc3N2C1 40860667 UBSQZXKDXDODTC-QGZVFWFLSA-N 375.472 3.273 0 1 GGAF C[C@@]1(c2cc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)COCC(N)=N1 68248427 OKFGZBROUWWARI-KRWDZBQOSA-N 397.237 3.382 0 1 GGAF COc1cc(-c2nc(CN(C)CCc3ccccn3)co2)cc(OC)c1OC 72100952 YMHMDISYVDXRGZ-UHFFFAOYSA-N 383.448 3.437 0 1 GGAF COc1ccc(NN2C(=O)O[C@@](C)(c3ccc(Br)nc3)C2=O)cc1 72108206 GYHJUNIAGJZKOL-INIZCTEOSA-N 392.209 3.074 0 1 GGAF COc1cc2c(cc1OC)-c1ccc(O)cc1[C@H](NC(=O)C(F)(F)F)CC2=O 84615007 IPTWJNDTHYBOBW-CQSZACIVSA-N 395.333 3.382 0 1 GGAF Cc1ccnc(C(=O)N2CCC(Oc3ncccc3C3CCOCC3)CC2)c1 96168909 CCCRIOXICYTJHH-UHFFFAOYSA-N 381.476 3.363 0 1 GGAF Cn1c(=O)n(C)c2cc3c(Nc4cccc(Br)c4)ncnc3cc21 96914113 WNSWFYXOUGADHV-UHFFFAOYSA-N 384.237 3.326 0 1 GGAF OC1CN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)C1 146918174 PRFXFFBSCJDVDB-UHFFFAOYSA-N 397.442 3.197 0 1 GGAF CCc1nn(-c2ccccc2)c2cc(N3CCC(N4CCNCC4)CC3)ccc12 147347872 MGDRTPYXJNVKIU-UHFFFAOYSA-N 389.547 3.462 0 1 GGAF COc1ccc2c(n1)CCN(c1ncnn3c(C)nc(-c4ccccc4F)c13)C2 169711698 MVRUGMLWYASVEK-UHFFFAOYSA-N 390.422 3.205 0 1 GGAF Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O 220339820 ZMFIMBNRJYXBHU-MRXNPFEDSA-N 389.242 3.473 0 1 GGAF CC(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](OC(=O)C(C)C)c3c(C)coc3C(=O)[C@@]12O 238751887 DWWUZDCLOUOJMA-VVUPDRAPSA-N 392.448 3.124 0 1 GGAF CS(=O)(=O)c1ccc(N2CCN=C2c2cccc(Br)c2)cc1 299830607 OIRTZPJKLHLKEP-UHFFFAOYSA-N 379.279 3.119 0 1 GGAF COCCNC(=O)C[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 299870085 LQHCZQAKWAQLJZ-DBGRRDFISA-N 385.504 3.196 0 1 GGAF in-vivo CCS(=O)(=O)c1ccccc1-c1nc2ccc(Br)c(O)c2[nH]1 586921513 BFZNXDPKWQHAAF-UHFFFAOYSA-N 381.251 3.492 0 1 GGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(C(C)=O)cc2[nH]1 586965254 MBEFKNDYQHSYFR-UHFFFAOYSA-N 395.492 3.222 0 1 GGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(F)c(F)c2[nH]1 587120990 MUTAUUPHSWRVLC-UHFFFAOYSA-N 397.307 3.265 0 1 GGAF Clc1cc2nc(-c3nccnc3I)[nH]c2c(Cl)n1 587186685 OUALZKGGVOTXCO-UHFFFAOYSA-N 391.987 3.326 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1cccnc1)CC2=O 587491090 RZWPCLZYKGUOSH-JOCHJYFZSA-N 397.427 3.123 0 1 GGAF O=C(c1ccc(O)cc1O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659839 FTIQCOMZSJKJKJ-UHFFFAOYSA-N 376.343 3.302 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CN2CCN(C)CC2)N1 587764281 CWZRALLLYUEOGU-UGSOOPFHSA-N 398.364 3.437 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1ccccc12 587770391 QGAPLESZHAMBIY-MGNBDDOMSA-N 375.241 3.342 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(CCc3cccc(OC)c3)[nH]c2c1 587930703 JNSRSCNALOQXLZ-UHFFFAOYSA-N 387.505 3.387 0 1 GGAF O=C(O)c1ccc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1F 962975869 ZFKXFBZLSLXHTF-IUODEOHRSA-N 385.725 3.144 0 1 GGAF C[C@]1([C@@H]2C=C(C(=O)O)NN2c2ccccc2)c2c(F)cccc2C[C@H]2CCCN21 963103651 LUWVXDGEZYVJFP-MONBJTKQSA-N 393.462 3.423 0 1 GGAF O=C(O)C[C@H]1CCN(C(=O)Nc2ccccc2)C[C@H]1Cc1nc2cnccc2[nH]1 2356322311 OZGVTMYRCSWLJX-HUUCEWRRSA-N 393.447 3.145 0 1 GGAF C[C@]1(C(=O)NC2CCCC2)CCC(=O)N1C1CCN(Cc2ccccc2)CC1 95566268 JVROMIATNOLDKJ-HSZRJFAPSA-N 383.536 3.091 0 3 GGAF O=C(NCCc1c[nH]c2ccccc12)OCc1cn(-c2ccc(F)cc2)nn1 203462807 LNKUXLNPIFAVDT-UHFFFAOYSA-N 379.395 3.357 0 3 GGAF COc1ccc(-c2nnn3c2Cn2c4ccccc4c(=O)n2[C@@H](C(C)C)C3)cc1 203473863 FPEVFZQSQGFHAW-LJQANCHMSA-N 389.459 3.329 0 3 GGAF CCC=CCC=CC[C@H]1[C@H](C=C[C@@H](O)CC=CCCC(=O)O)[C@@H](O)C[C@H]1O 2356312723 HLOKCEDYFAXGRQ-FCMAGTKHSA-N 378.509 3.375 0 1 GGAF COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1csnn1)CC2 3956197 DJVWPUSRYBZQQL-UHFFFAOYSA-N 386.521 3.065 0 1 GGAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(=O)N(CCN1CCCC1)C2=O 6482691 WKWNJPXBIBKJHF-YOEKFXIASA-N 396.531 3.309 0 1 GGAF COc1cc(-c2nnc([S@@](=O)Cc3ccccc3F)o2)cc(OC)c1OC 29123219 CLMXTGLDVKHSJL-HHHXNRCGSA-N 392.408 3.209 0 1 GGAF CCCCC[C@H](O)/C(F)=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 26022415 FPWBUVYXSURCBY-FPYRARJVSA-N 386.504 3.429 0 1 GGAF CN(c1ccccc1Cl)S(=O)(=O)c1ccc2cc(C(=O)O)n(O)c2c1 73169430 GFLNDMXVTYBORE-UHFFFAOYSA-N 380.809 3.055 0 1 GGAF O=C(NCc1ccccc1)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccco1 95605698 DTYLQRJGMIWVRK-NRFANRHFSA-N 376.412 3.058 0 3 GGAF CCOc1ccc(NC(=O)[C@H]2C[C@H](P(=O)(OCC)OCC)N(C)O2)cc1 95587372 CLZLFFRBOSGBQW-CVEARBPZSA-N 386.385 3.252 0 1 GGAF Cc1cc(C)c(CNC(=O)c2ccn([C@H](C)c3ccccc3)c(=O)c2)c(O)n1 147752808 MRLJERMPALQHNU-MRXNPFEDSA-N 377.444 3.105 0 1 GGAF OCc1cccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1 96168829 IRRFOIIFAOGAQD-UHFFFAOYSA-N 384.439 3.452 0 1 GGAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2C(=O)C2(Cc4ccccc4C2)C[C@@H]3[C@H]1C5 253854630 RTJUCZCOZIOVDY-MGOSVXKISA-N 387.479 3.025 0 1 GGAF COc1ccc(C(=O)Nc2cccc(-c3cnc4c(N)nccn34)c2)cc1OC 653792889 JIYPUOZBHHTNKT-UHFFFAOYSA-N 389.415 3.248 0 1 GGAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2nc(Br)c[nH]c-2n1 587115994 IQDZWJJXONZWAM-UHFFFAOYSA-N 381.543 3.140 0 1 GGAF CN(C)CCOc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586966298 AGZQCQAHBMFUFZ-UHFFFAOYSA-N 396.476 3.241 0 1 GGAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc([C@H](N)N=O)ccc2[nH]1 587038298 GOPMXUWAVONKHP-LLVKDONJSA-N 375.414 3.152 0 1 GGAF Cc1cccc([C@]2(CS(C)(=O)=O)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587531119 IJZCNFZBBXDKHT-OAQYLSRUSA-N 385.485 3.174 0 1 GGAF C[C@]1(c2ccc(O)c(C(N)=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576789 IEAIIBQYFYAHNX-PGRDOPGGSA-N 391.379 3.074 0 1 GGAF CC(=O)Nc1cccc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 587242066 GPIMGZMBISTYTB-UHFFFAOYSA-N 388.431 3.171 0 1 GGAF CCOC(=O)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587706696 RUOQISGVWQKOCM-CPFSXVBKSA-N 384.167 3.443 0 1 GGAF COC(=O)c1cc(Cl)c2[nH]c(CCNC(=O)OCc3ccccc3)nc2c1 587228975 WNBNNYYVSMNFKA-UHFFFAOYSA-N 387.823 3.472 0 1 GGAF COC(=O)CN1C=C[C@@]2(NCCc3cc(C)c(F)cc32)c2ccc(OC)cc21 962089357 GPJDMAOOEPSKDI-JOCHJYFZSA-N 382.435 3.039 0 1 GGAF Cc1sc(Br)nc1[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963525317 LYJGCRXWRRYMDP-QFYYESIMSA-N 397.294 3.090 0 1 GGAF COc1cc(/C=C/C(=O)OCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1O 3252855 XCEBJUDMNQTVSG-NRVQHUCPSA-N 387.476 3.384 0 1 GGAF O=C(NC[C@@H]1CC12CCN(CCc1ccccc1)CC2)N1Cc2ccncc2C1 1772645307 PKLSBKOQCRVIEQ-QFIPXVFZSA-N 390.531 3.452 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC3CCOCC3)c2cn1)c1ccccc1 1772593456 LRRNOABJKBQURE-CYBMUJFWSA-N 380.452 3.432 0 1 GGAF CCCOc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1 1772576787 SHUXGOXNIQPIQZ-UHFFFAOYSA-N 388.431 3.423 0 1 GGAF Nc1nc(N)c2cc3c(nc2n1)CCN(Cc1ccc(Cl)c(Cl)c1)C3 13492109 CIMZNQGMRUUJFW-UHFFFAOYSA-N 375.263 3.054 0 1 GGAF Cc1cccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)c1 13782329 XAQCIJUZYCJYPA-UHFFFAOYSA-N 389.503 3.218 0 1 GGAF C[C@@H](C[C@@H](C)[C@@H](O)CC(=O)c1ccc(N)cc1)[C@H](/C=C/C=C/C(=O)O)[C@@H](C)O 14420093 KCSUEQGOSJTUAZ-FYRICBMMSA-N 389.492 3.059 0 1 GGAF Cc1cc(-n2ccnc2)cc2nc(-c3c(NCc4ccccn4)cc[nH]c3=O)[nH]c12 16052301 GLTRPHMPCVLOJS-UHFFFAOYSA-N 397.442 3.419 0 1 GGAF in-vivo COc1ccc(CCNC(=O)Cn2ncc3c2-c2cc(C)ccc2OC3)cc1 201466638 RJROJKLDYNZDSU-UHFFFAOYSA-N 377.444 3.118 0 3 GGAF COC(=O)c1cc(=O)c2cc(NC(=O)NC34CC5CC(CC(C5)C3)C4)ccc2[nH]1 1857647536 GCJOAIWENCAGKV-UHFFFAOYSA-N 395.459 3.405 0 1 GGAF COc1ccccc1N=c1[nH][nH]c2ccc(NC(=O)[C@@H]3CCC[C@@H](N)C3)cc12 1857746355 HIDWMKJBUOIBEK-ZIAGYGMSSA-N 379.464 3.193 0 1 GGAF CCOc1ccc2nc(N3CCCN(Cc4ccncc4)CC3)nc(C)c2c1 11913479 HUHJVCFVWBEKLO-UHFFFAOYSA-N 377.492 3.444 0 1 GGAF CO[C@H]1c2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)OC(C)(C)[C@@H]1O 13311963 QLZWONVOGYYLGJ-VQTJNVASSA-N 384.384 3.091 0 1 GGAF biogenic Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CN1CCN(c3ncccn3)CC1)O2 13651323 FEJVKMXFWQJHNA-JOCHJYFZSA-N 382.508 3.013 0 1 GGAF O=C(O)c1cn(CCO)c2ccc(Cc3cccc(Cl)c3F)cc2c1=O 13682469 YZIAZOQBKIGPGH-UHFFFAOYSA-N 375.783 3.075 0 1 GGAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccccc2CC3)cc1 26675142 LTAXFLQWGJQFJX-UHFFFAOYSA-N 393.390 3.304 0 1 GGAF CCOC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2cccc(=O)cc21 27762898 ZEQHBPXABMGOEG-KRWDZBQOSA-N 399.443 3.473 0 1 GGAF CC(=O)Oc1ccccc1C(=O)OCCCOc1nonc1-c1ccccc1 27851123 ASTGIVLMSHGQFZ-UHFFFAOYSA-N 382.372 3.288 0 1 GGAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@]4(CC2)CN(Cc2ccccc2)CC[C@]314 29319354 NDPFOBRCDSRAHC-LSUHJGNXSA-N 375.468 3.160 0 1 GGAF Nc1cccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4sccc43)nc2)c1 49072484 VXVFFFFZJJDWBG-UHFFFAOYSA-N 377.425 3.454 0 1 GGAF CCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)c(F)ccc2c1N 71295112 PFZUQESQYBPRGB-UHFFFAOYSA-N 384.411 3.175 0 1 GGAF O=S1(=O)N(Cc2cccnc2)CCN1Cc1cccc(Oc2ccccc2)c1 72127918 VWQGYYFRZKMSAC-UHFFFAOYSA-N 395.484 3.437 0 1 GGAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1C[C@H](O)CN1C(=O)c1cnccn1 72176691 IKTDDYJJPQAFAC-OXJNMPFZSA-N 394.862 3.449 0 1 GGAF C[C@H](C(=O)N[C@H]1CCCc2ccccc21)c1ccc(NS(C)(=O)=O)c(F)c1 73221887 DAXQIKPAMNQFOX-UGSOOPFHSA-N 390.480 3.495 0 1 GGAF C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCCC 82214236 KZZHMYBBWKVXKU-LOYCOBDFSA-N 388.508 3.064 0 1 GGAF CCN1C(=O)[C@H](N2CCN(Cc3ccc(Cl)cc3)CC2)Cc2ccccc21 96299800 BZWQAKCTTBOIKJ-OAQYLSRUSA-N 383.923 3.435 0 1 GGAF Cc1ccc(S(=O)(=O)Nc2cccc(-n3nc(C)c(CC(=O)O)c3C)c2)cc1 96922302 HYAUAJXISKZBTD-UHFFFAOYSA-N 399.472 3.225 0 1 GGAF N[C@H]1CC[C@H](Nc2cncc(-c3cccc(/C=C4\SC(=O)NC4=O)c3)n2)CC1 101507340 UKPXIONZHWFMAU-LAHQVWKISA-N 395.488 3.149 0 1 GGAF COc1cc(Br)cc(-c2noc(C3CCN(C)CC3)n2)c1OC 103285073 RGCSWVHDPHPXKW-UHFFFAOYSA-N 382.258 3.326 0 1 GGAF N[C@H]1CCCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 147027879 HKMWTSWVLZFMSH-LSDHHAIUSA-N 389.463 3.225 0 1 GGAF N=c1[nH]cc2nc(-c3cc(Br)cnc3NCc3ccccc3)nc-2[nH]1 586999994 IQSOTDCGKKAZDR-UHFFFAOYSA-N 396.252 3.154 0 1 GGAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(F)cc(C(=O)O)c3[nH]2)C(F)(F)C1 587131934 GIOYUZTVWINBJI-SNVBAGLBSA-N 385.342 3.370 0 1 GGAF CC(C)(C)OC(=O)NC1(c2nc3c(F)cnc(Cl)c3[nH]2)CCC(O)CC1 587236924 HSEGQJREZYHCEI-UHFFFAOYSA-N 384.839 3.405 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)CCC(=O)O)cc1)[C@@H](C2)C3=O 587432407 LONMPCJIYQIBTM-AOMKIAJQSA-N 395.411 3.161 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4ccnc4)c1)[C@@H](C2)C3=O 587432797 ZFEIYLUNZGKAMT-JTSKRJEESA-N 376.412 3.437 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4noc(C)n4)cc1)[C@@H](C2)C3=O 587439509 VWUIFBNGURHXSM-KKSFZXQISA-N 378.384 3.454 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2ccn(C)n2)N1 587761635 BMFHPPAMBWLSGN-AJFWZDNWSA-N 393.304 3.175 0 1 GGAF COC(=O)c1cc2nc(-c3ccc([C@@H]4C[C@H]4C(=O)OC)cc3)[nH]c2cc1OC 587783842 AWIJXZZGKZVZIY-UONOGXRCSA-N 380.400 3.302 0 1 GGAF COC(=O)c1cc2[nH]c(C3CCC(OC[C@H](C)OC)CC3)nc2cc1OC 587952377 PRCOOCPFZMEMEO-HSBZDZAISA-N 376.453 3.436 0 1 GGAF COc1ccc(OC)c([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1 962668808 OURHQHRLJAZKMR-OFNKIYASSA-N 392.455 3.440 0 1 GGAF CCOC(=O)C[C@@]1(Cc2cccc(C)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962894294 IIFUTTJZPVFKSI-PGRDOPGGSA-N 385.435 3.124 0 1 GGAF Cc1ccc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CC4)CC3)c2)cn1 1772618258 VDLFXWPMYNYUHO-UHFFFAOYSA-N 392.503 3.133 0 1 GGAF C[C@H](O)c1cc2c(c3ncccc13)NS(=O)(=O)N(C)[C@H]2c1ccc(F)cc1 1772639871 OXSHPRQRTWXUSL-WLRWDXFRSA-N 387.436 3.119 0 1 GGAF 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COc1ccc(CCNc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc2C)cc1OC 82204238 IGQDVUYITXPSJN-HOTGVXAUSA-N 386.496 3.070 0 1 GGAF O=C(CN1CCCN(Cc2nc3ccccc3[nH]2)CC1)Nc1ccccc1Cl 49088898 WVAGMVPNWFFVOO-UHFFFAOYSA-N 397.910 3.363 0 1 GGAF Cc1ccc([C@@](C)(O)CO)cc1-c1nnc2c(C)nc3ccc(C4CC4)nc3n12 145971590 DVLAFODZVUERBN-QFIPXVFZSA-N 389.459 3.034 0 1 GGAF Fc1ccn2c(-c3ccc4cccc(O[C@@H]5CCNC[C@@H]5F)c4n3)nnc2c1 96175023 GMEASXSIOIGYFE-GOEBONIOSA-N 381.386 3.162 0 1 GGAF CCC[C@]1(c2cc3c(cc2N)OCCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433017 ONVBACKWUHPTBP-IVZQSRNASA-N 381.428 3.492 0 1 GGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)NC)c(OC)c1)CC2=O 587468250 CQAHUXNYRGYEOT-IBGZPJMESA-N 399.443 3.185 0 1 GGAF COc1nccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587003552 LYVFVBPNMWJNHH-SECBINFHSA-N 388.221 3.364 0 1 GGAF CNC[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587739362 ATMYCXBBMWFRQV-ZMZPIMSZSA-N 379.273 3.291 0 1 GGAF O=C(c1ccc2snnc2c1)c1c(CO)oc2cc(Br)cnc12 587275577 BRJCLIJRWZGNTF-UHFFFAOYSA-N 390.218 3.318 0 1 GGAF Cc1cc2c(cc1O)[C@]1(CN(Cc3ccccc3)CC[C@H]1C)N[C@H](C(=O)O)C2 963523588 IREQISKAKAFKGF-NIJIEXERSA-N 380.488 3.037 0 1 GGAF COc1cc(OC)c([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1Cl 963494271 ZUIWREPEUIXORG-VBKZILBWSA-N 391.851 3.234 0 1 GGAF CS[C@H]1C(=O)N(Cc2ccccc2)[C@@H](SC)C(=O)N1Cc1ccccc1 203553046 KBNKNAKLTFTNCZ-PMACEKPBSA-N 386.542 3.436 0 1 GGAF CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2CC2CC2)C1 1772592173 IFIMPCBCWYNSEK-UHFFFAOYSA-N 390.491 3.342 0 1 GGAF O=C(O)[C@@H](CCCCn1cnc2c1NC=NC[C@H]2O)Cc1ccc(Cl)cc1 13807316 OMOZKOPPDRRUQY-GOEBONIOSA-N 390.871 3.138 0 1 GGAF CCNC(=O)Nc1nc2cc(-c3cccnc3)c(O[C@H]3CCOC3)nc2s1 169340097 BABKJKPOVFNQHK-LBPRGKRZSA-N 385.449 3.062 0 1 GGAF O=C(CCCCCCNC(=O)N1Cc2ccccc2C1)NCC1CCOCC1 166822010 YVLZTCDJHYMNBY-UHFFFAOYSA-N 387.524 3.205 0 1 GGAF O=C(Nc1ccc(C(=O)N2C[C@@H]3CCO[C@@H]3C2)cc1)N1Cc2ccc(F)cc2C1 167270007 XJIHPGKUHNEFIV-OXJNMPFZSA-N 395.434 3.234 0 1 GGAF CCn1c(SCC(=O)Nc2ccccc2N)nc2cc(Cl)ccc2c1=O 1857544420 BTUWPEIHZSXDSQ-UHFFFAOYSA-N 388.880 3.383 0 1 GGAF CCCCNC(=O)c1c(NC(=O)c2ccc(OC)cc2)nc2c(C)cccn12 1857549705 DSPNWMIDZMLIDO-UHFFFAOYSA-N 380.448 3.434 0 1 GGAF O=C(Nc1ccc2c(c1)C(=O)NS2(=O)=O)c1ccc(-c2ccccc2)cc1 1857574567 MUSMQEOVWVXHSZ-UHFFFAOYSA-N 378.409 3.038 0 1 GGAF Cc1cn2c(cc(C)c3c(N)c(C(=O)N[C@@H]4Cc5cccnc5C4)sc32)n1 1857602149 BAYRNIMPWMTFSK-CYBMUJFWSA-N 377.473 3.040 0 1 GGAF CCOC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 8680492 GMCYFEQRZKIATC-UHFFFAOYSA-N 379.488 3.160 0 3 GGAF CC(=O)Nc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@H](C)CNC4=O)cc1 28902174 OWRNCFRCJDGGCG-LLVKDONJSA-N 376.416 3.226 0 1 GGAF O=C(c1cscn1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 64573558 GJEWYBFMWZEOCF-UHFFFAOYSA-N 391.924 3.304 0 1 GGAF C[C@H]([C@H](O)CO)[C@H]1CC[C@H]2[C@@H]3[C@H](F)C(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118921476 XPZYJROOQBSTHN-OIBOODRISA-N 396.543 3.123 0 1 GGAF Cc1cccc2c1OC[C@H](CN1CCC(n3c(=O)[nH]c4cc(F)ccc43)CC1)O2 27900771 ZCRXPOKTXWIWHC-KRWDZBQOSA-N 397.450 3.254 0 1 GGAF CCOCCn1c(N2CCN(CCc3ccccc3)CC2)nc2ccccc21 38142541 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CCN(C(=O)C[C@]1(C)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21)c1ccccc1C 963492372 QHDSYYDTWQSQJY-MBSDFSHPSA-N 396.487 3.266 0 1 GGAF Nc1nc2c(NCc3ccccc3)cccc2n2c(=O)n(-c3ccccc3)nc12 13806263 WTPLIJMXPIILJW-UHFFFAOYSA-N 382.427 3.228 0 1 GGAF COc1ccc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2OC)cc1OC 14502434 NPMMYTVKEWLZKD-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic,in-man C[C@@H]1CCCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)C1 2964680 YPDOTTVWNYUIFC-CABCVRRESA-N 395.906 3.070 0 3 GGAF CCOC(=O)[C@H]1C(C)=C(Nc2ccc(OC)cc2)C(=O)N1c1ccc(OC)cc1 3669285 WGFFYVHZXOTHDR-HXUWFJFHSA-N 396.443 3.368 0 3 GGAF COCCN(C(=O)c1ccco1)c1nnc(-c2ccc(OC)c(OC)c2)s1 4881147 XOJRHTMITLNYTM-UHFFFAOYSA-N 389.433 3.109 0 3 GGAF Cc1cnnc(N2CCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1 28397505 MEEFIYQTDXEJPE-UHFFFAOYSA-N 381.358 3.038 0 1 GGAF CC(C)NC(=O)Oc1cccc(CC(=O)N2CCN(Cc3ccccc3)CC2)c1 66251328 BJNVNXAPSZVNOR-UHFFFAOYSA-N 395.503 3.070 0 1 GGAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@@H]1[C@@]23CCC[C@@]1(C)[C@@H](O)OC3 2356441918 IULNRTXGLGQYFK-JZXQDRNDSA-N 376.449 3.209 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@@H]1c1ccccc1 72119665 JPZBNCHIIWSDBC-GOSISDBHSA-N 375.421 3.061 0 3 GGAF O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CNC[C@@H]1c1ccc(C(F)(F)F)cc1 45323757 ILFDPRBCGOKYQG-HZPDHXFCSA-N 392.377 3.054 0 1 GGAF CN(C)C(=O)[C@@H]1CCCN(c2ccc3[nH]c(-c4cccc(C5CC5)n4)nc3n2)C1 221410413 YKZVSRRANGRYQC-OAHLLOKOSA-N 390.491 3.202 0 1 GGAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C 139116739 CBAPLTCHHBGQDY-NJJMGCRASA-N 376.449 3.058 0 1 GGAF CCNc1ncc(C)c(-c2c[nH]c(C(=O)N[C@@H](CCO)c3ccccc3)c2)n1 89469286 BRXZUYKXXYRWTC-KRWDZBQOSA-N 379.464 3.065 0 1 GGAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NC[C@H](C)c2ccccc2)nc1 199946011 QYFVCWSACJWWHI-AWEZNQCLSA-N 399.520 3.448 0 1 GGAF CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1 95562620 ATGOJZIHHQXMBT-UHFFFAOYSA-N 383.500 3.032 0 1 GGAF C=CCN(C)C(=O)[C@H](C)[C@H]1CCc2c(C)cc(OCCOC)c(C)c2[C@H]1O 36356146 CZYVBKLNNXDTKW-FPDPHYFHSA-N 375.509 3.205 0 1 GGAF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(C(C)(C)C)N1 587845511 BAOQTWBGENGMSB-QLJPJBMISA-N 392.334 3.408 0 1 GGAF COC(=O)[C@@H]1CC(OC)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587807982 GHBYESPLNBVCAP-CIBPLQMKSA-N 384.245 3.041 0 1 GGAF COC(=O)c1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cn1 587120713 DLPBKJFWJFNSOV-UHFFFAOYSA-N 379.220 3.172 0 1 GGAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587241667 GUDGPHQXAQECBI-UHFFFAOYSA-N 393.407 3.258 0 1 GGAF CN(C)C(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342379 DRBKJKMVEJMGBS-IBGZPJMESA-N 398.434 3.406 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCCC2)nc1 587597442 VFQKPCLEXJGJPB-GHTZIAJQSA-N 389.411 3.485 0 1 GGAF O=S(=O)(NCc1nc2ccc(F)cc2[nH]1)c1ccc(Br)s1 586942223 IVWZPCGEHMLRCZ-UHFFFAOYSA-N 390.259 3.005 0 1 GGAF CN1C(=O)C[C@H]2CN[C@@H](c3cccc(OCCn4ccnc4)c3)c3cccc1c32 963037882 YMODSGMKKASEKN-SBUREZEXSA-N 388.471 3.105 0 1 GGAF CC(=O)c1cc(CN2CCC(N3CCC(C(=O)NC(C)C)CC3)CC2)cs1 13595434 OHECOAYNRCUDMO-UHFFFAOYSA-N 391.581 3.152 0 3 GGAF Cc1ccc2c(c1)S(=O)(=O)N(C)C(O)=C2C(=O)Nc1ccccc1Cl 13605543 HWVIMRPVDNZEOH-UHFFFAOYSA-N 378.837 3.148 0 1 GGAF Brc1cnc(NC[C@@H]2CCCO2)nc1Nc1cc(C2CC2)[nH]n1 203006267 VFGFAZVCHWAMKX-JTQLQIEISA-N 379.262 3.174 0 1 GGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc([C@@H](O)CO)cc21 1857578103 VAKHLEFHCGPCBJ-QFIPXVFZSA-N 388.467 3.366 0 1 GGAF O=C1NC(=O)/C(=C/c2ccc(OCc3cn(Cc4ccccc4)nn3)cc2)S1 1857610992 GBIPKCKGILNKEW-ZDLGFXPLSA-N 392.440 3.229 0 1 GGAF COc1ccc([C@H]2SCC(=O)N2NC(=O)[C@@H](C)Oc2ccccc2C)cc1 1863315 HUCRQKDYSDEQSW-JLTOFOAXSA-N 386.473 3.076 0 1 GGAF COC(=O)c1ccc(COc2ncn(-c3ccccc3Br)n2)cc1 2524281 LLKXNRDGNVCJEU-UHFFFAOYSA-N 388.221 3.395 0 1 GGAF CNCc1cncc(-c2cnc3[nH]nc(-c4nc5c(COC)cccc5[nH]4)c3c2)c1 28950087 WLIGHAXZSXWZCO-UHFFFAOYSA-N 399.458 3.429 0 1 GGAF Cc1ccc(NC(=O)N[C@H]2CCN3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3C2)cc1 25180973 BMPPBKQRDYVRDG-PKOBYXMFSA-N 392.459 3.425 0 1 GGAF biogenic Cc1cccc2c1N(C(=O)CN1CCN(Cc3ccc(Cl)cc3)CC1)CC2 22941247 COJAZIUIZFFLJD-UHFFFAOYSA-N 383.923 3.355 0 1 GGAF O=C1c2nc(Cc3ccccc3)[nH]c2N2C[C@@H](Cc3ccccc3)N=C2N1C1CC1 28524860 PXQPUCOWGZFCKB-GOSISDBHSA-N 397.482 3.406 0 1 GGAF CC(=O)O[C@@H]1CCC(C)=CCC[C@](C)(O)[C@H]2C[C@@H](CC[C@@]1(C)O)[C@H](C)C(=O)O2 2356798514 SPTRBEJSAGOVBE-BCOVRFNISA-N 396.524 3.288 0 1 GGAF CN1CC(=O)N2C[C@@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@]2(C)C1=O 2117987 ACHLBUGZAPTWBJ-OYHNWAKOSA-N 393.874 3.483 0 1 GGAF biogenic Cc1ccccc1N1c2ccc(Cl)cc2S(=O)(=O)c2c(N)nc(N)nc21 45484790 ZSVLEQKGNMDSAR-UHFFFAOYSA-N 387.852 3.219 0 1 GGAF Nc1cc(Cc2ccc(O)cc2)cc(C(=O)NCc2ccccc2CC(=O)O)c1 45496143 RQSCVKBJVYRXTG-UHFFFAOYSA-N 390.439 3.122 0 1 GGAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccco2)C1 82142341 QMTINNDLIZJBCM-CVEARBPZSA-N 384.480 3.224 0 1 GGAF Cc1ccc2ncc(C)n2c1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 226066249 AWLDQWBAXSWKMF-BZSNNMDCSA-N 376.460 3.418 0 1 GGAF CCOc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O 95584753 LFLMNCDVMZJBSO-DLBZAZTESA-N 386.444 3.383 0 1 GGAF COc1nc(C)c(Nc2nc(Cl)cn([C@@H](CCF)C3CC3)c2=O)c(OC)n1 95602963 YLHGXHYLULPERQ-NSHDSACASA-N 397.838 3.067 0 1 GGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 587229376 ANGMODPPNSOLMH-STQMWFEESA-N 393.871 3.039 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(=O)O)nc2)N1 587773364 QVXWJJCJVKYPKO-HUTHGQBESA-N 379.229 3.479 0 1 GGAF COC(OC)[C@@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587742091 PZJIPJFIAURIQX-OSXSJPMVSA-N 387.293 3.012 0 1 GGAF N[C@@H](Cc1ccc(I)cc1)c1nc2ccnc(Cl)c2[nH]1 587185133 XPZAQXWIADRXMS-JTQLQIEISA-N 398.635 3.458 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2c1 587244597 QAXXESFRGXMESS-VAWYXSNFSA-N 398.488 3.293 0 1 GGAF COC(=O)c1ccc(NC(=O)C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587432791 NABNKFHZAZVHHT-ZHRRBRCNSA-N 395.411 3.017 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1F)[C@@H](C2)C3=O 587427596 JXAPNJPRYXMFNI-KPHUOKFYSA-N 377.412 3.160 0 1 GGAF CCOC(=O)[C@@H]1CC[C@]2(CO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587831846 ITSRBFZZWDBDDW-GLZQIGESSA-N 386.261 3.060 0 1 GGAF COC(=O)[C@@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)C[C@H]1C(=O)OC 587105879 BHAKUVJMBZFCKI-KUHUBIRLSA-N 387.391 3.048 0 1 GGAF Cc1csc([C@](O)(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)C(F)(F)F)n1 587094054 IYVQZOIHEYGDPL-GXTWGEPZSA-N 385.371 3.044 0 1 GGAF CC(=O)[C@@H]1CCCC[C@@]12c1scnc1C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C 963135524 DSTAWGJHYOPBQN-PJFSTRORSA-N 394.493 3.364 0 1 GGAF CCOC(=O)NC(=O)C[C@@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962722053 YCHHXHOPKHKOPR-YJYMSZOUSA-N 380.485 3.067 0 1 GGAF COCCN(C)C(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C 12031393 FDBNUKHNFASISF-UHFFFAOYSA-N 385.493 3.034 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(N(C)C)ncc3F)C2)cc1 169709897 XIKMMXCCDRASNW-KBXCAEBGSA-N 386.471 3.142 0 1 GGAF C[C@H]1CN(C(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)C[C@H](C)O1 167465625 MCHRKTCZHVBNOL-HOTGVXAUSA-N 379.460 3.484 0 1 GGAF C[C@@H](C(=O)NOCc1ccccc1)N1C(=O)S/C(=C\c2ccccc2)C1=O 1857546353 HQKJFRPWFOLKNJ-VMOJBDSFSA-N 382.441 3.359 0 1 GGAF CC(=O)Oc1ccc(-c2cc3cccc(OC(C)=O)c3oc2=O)cc1OC(C)=O 1857587932 ZNJRRUZTEADZNJ-UHFFFAOYSA-N 396.351 3.236 0 1 GGAF O=C(O)CS(=O)(=O)c1ccc(-c2ccc(C(=O)Nc3ccccc3)cc2)cc1 3600347 LBSPPOJIJNRUTG-UHFFFAOYSA-N 395.436 3.464 0 1 GGAF C[C@H]1CC(C)(C)NC(=S)N1CC(=O)N(C)c1ccc(Br)cc1 3662116 HWTMIOFCLJDYEB-NSHDSACASA-N 384.343 3.159 0 1 GGAF CC(C)CCNC(=O)c1cccc(Nc2nc3ccccc3n3nnnc23)c1 6791074 KUTSETAHTNUGNQ-UHFFFAOYSA-N 375.436 3.192 0 1 GGAF CC(C)C[C@@H]1Nc2ccc(C(=O)NCCCN3CCCC[C@@H]3C)cc2NC1=O 6919961 KCKFIWSXOWQDJC-JXFKEZNVSA-N 386.540 3.460 0 3 GGAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@@H](C)[C@H](C)O)CN(C)[C@H]1C2 7997168 JQYLIGHHVGCTPR-BPNDGJTPSA-N 384.520 3.495 0 1 GGAF CC(C)S(=O)(=O)NC[C@@H]1CC(c2ccc(-c3ccccc3)c(F)c2)=NO1 103248007 BHJYMXYIXWCWLI-INIZCTEOSA-N 376.453 3.314 0 1 GGAF O[C@H](c1ccc(Cl)cc1Cl)[C@@](O)(Cn1cncn1)c1ccc(F)cc1 26013660 OUFWMMBYXWYRDP-IAGOWNOFSA-N 382.222 3.345 0 1 GGAF COc1ccc(-c2nn3ncccc3c2-c2ccc(S(C)(=O)=O)cc2)cc1 28377312 ANTSWWWZZVXJCU-UHFFFAOYSA-N 379.441 3.475 0 1 GGAF O=C(Nc1cc(Cl)ccc1O[C@@H]1CCC[C@@H](O)C1)c1cnn2cccnc12 113654015 ANIBTXRUWMHDCF-ZIAGYGMSSA-N 386.839 3.317 0 1 GGAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N(CC)CC)[C@H](O)[C@@H]2[C@H]1C 2356404413 NDGFAXBERKKHMQ-SSHXTSQHSA-N 395.588 3.002 0 1 GGAF C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356419502 VHYKCGZTQCQHKP-JTQLQIEISA-N 398.346 3.399 0 1 GGAF CC1(C)OC(=O)C(Oc2ccc(C3CC3)cn2)=C1c1ccc(S(C)(=O)=O)cc1 26955436 ZLXJXNJHBCFWAG-UHFFFAOYSA-N 399.468 3.488 0 1 GGAF COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H](C(C)C)n1cccc1 2356763456 JTNWNFZKDCSZLZ-PWRODBHTSA-N 375.557 3.425 0 1 GGAF CC[C@]1(O)C(=O)Cc2c1cc1n(c2=O)Cc2cc3cc(C)c(Cl)cc3nc2-1 26648123 GOCSHQKDKWZYDA-OAQYLSRUSA-N 380.831 3.110 0 1 GGAF Cc1nc2ccn(Cc3ccco3)c(=O)c2cc1C(=O)NCCCc1ccco1 21538672 JOGAFVKJXFYEGD-UHFFFAOYSA-N 391.427 3.302 0 1 GGAF COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccccc2)CC[C@H](N(C)C)C1 34946560 WJGHDFLJHZUCKM-HNNXBMFYSA-N 384.501 3.306 0 1 GGAF COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCC1 36384266 XBAGHGQETJVSOS-PKOBYXMFSA-N 382.460 3.268 0 3 GGAF Cc1cccc(-c2nc(N3CCOCC3)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 82146278 BQBNQLRAILMFKB-HDICACEKSA-N 394.519 3.407 0 1 GGAF CC(C)[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)n2c1nc1ccccc1c2=O 15216253 DNPSVQYQTPYSPH-VQTJNVASSA-N 386.455 3.489 0 1 GGAF biogenic CC[C@@H](C1CC1)n1nc(C)nc(Nc2ccc(OC)nc2C(F)(F)F)c1=O 49036429 FFWHWKFBSHLABO-LBPRGKRZSA-N 383.374 3.474 0 1 GGAF CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C)(C)CC3)CC2)c2ccccc21 49051412 SOBAXTKZXCMWII-UHFFFAOYSA-N 398.551 3.155 0 1 GGAF C[C@@H](CNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O)C(=O)O 146707777 UBEYTGBZRYCLOZ-LBPRGKRZSA-N 391.383 3.055 0 1 GGAF C[C@@H](Oc1cc(-c2ccc3c(c2)CNCC3)cc2ncccc12)[C@H]1CNC(=O)C1 146137028 HNASBONLOOCULQ-DNVCBOLYSA-N 387.483 3.451 0 1 GGAF NC[C@H]1CC[C@H](CNC(=O)c2ccnc3[nH]c([C@H]4C[C@H]5CC[C@H]4C5)nc23)CC1 653667420 GBOWSHXBCIUEIK-DNCCFGNJSA-N 381.524 3.356 0 1 GGAF Cc1cncc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c12 587184913 HLVQQZWYIHFMFM-LBPRGKRZSA-N 378.217 3.113 0 1 GGAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(CO)cc41)[C@@H](C2)C3=O 587448200 AGBVLTRSWSDPBH-CPJSRVTESA-N 398.414 3.423 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(Cc1cc(OC)c(OC)c(OC)c1)[C@@H](C2)C3=O 587445505 ZOTSXLMQGRQQHV-OYHNWAKOSA-N 384.428 3.470 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3[nH]c(=N)sc3C2)N1 587856543 IHQBKCXSXWSEBM-VPTHRUTESA-N 382.302 3.376 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2cnn(C)c2)N1 587756010 CIMDXXGQQMIJMN-XYZCENFISA-N 390.260 3.335 0 1 GGAF COC(=O)c1ccnc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc12 587168391 IYIRWAFIBXSCID-UHFFFAOYSA-N 378.367 3.009 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(NC[C@H]3CCCO3)nc1)CC2=O 587470396 MIXLEXDBVLIDTE-AUUYWEPGSA-N 383.448 3.432 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCC(N)=O)c2)N1 587749707 QEQQTSCILHHPDU-MLCYQJTMSA-N 393.256 3.076 0 1 GGAF CN(C)S(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587151776 ISPBFFIKMXKAIX-OLZOCXBDSA-N 377.416 3.363 0 1 GGAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(Br)c(O)c3[nH]2)c1 586923082 YAOIIKJBGHBZLT-UHFFFAOYSA-N 395.278 3.415 0 1 GGAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(F)cnc2[nH]1 586985220 SKGONWKLYDIODI-ZDUSSCGKSA-N 377.217 3.279 0 1 GGAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cnnc(O)c3[nH]1)N2 587030948 KEURJWNFBGFNLZ-LLIKBPFYSA-N 388.478 3.185 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(O[C@@H](C)C(=O)O)c(OC)c1)[C@@H](C2)C3=O 587441936 VNPHNGGOUXDBEW-ZNUZLIQOSA-N 384.384 3.044 0 1 GGAF CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@@]1(C2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962964988 KLVZKEUZOPMGOP-LCUDELEASA-N 399.821 3.323 0 1 GGAF CCOC(=O)CCC[C@@]1(c2ccccc2OC(C)=O)NCCc2c(C)ccnc21 963071837 LMQYIIVLQNDPMN-QHCPKHFHSA-N 396.487 3.438 0 1 GGAF CC(=O)N1C[C@@H](C)Sc2cc(S(=O)(=O)NCc3ccccc3)ccc21 20509713 IQRULRYIWLUUMG-CYBMUJFWSA-N 376.503 3.012 0 1 GGAF CC(=O)Oc1ccccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 13832027 VKOIPVXLIJCYTF-UHFFFAOYSA-N 392.455 3.196 0 1 GGAF CCO[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OCC(F)(F)F)cc1)C2=O 169702043 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Cc1c(C)c2ccc(O[C@H](C)c3ccc4c(O)nc(O)nc4n3)cc2oc1=O 587562598 HHAKJSOENTYCNJ-LLVKDONJSA-N 379.372 3.299 0 1 GGAF COc1ccc(OC)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 587936936 NRKUSWDHQPNXOK-UHFFFAOYSA-N 380.286 3.009 0 1 GGAF Cc1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2n1 586951554 YGSFWRYMLAYRCF-UHFFFAOYSA-N 385.493 3.199 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CN(C)CC[C@]2(C)O)N1 587763144 XCXDEMDIFBPCGI-HBUMBIOYSA-N 385.321 3.040 0 1 GGAF COc1ccc(NS(=O)(=O)c2ccc3[nH]c(/C=C/C=C\C(=O)O)nc3c2)cc1 587968678 NSCOSYXHQKHDBA-HZDAAVBUSA-N 399.428 3.026 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CN(C)CC[C@@]2(C)O)N1 587763146 XCXDEMDIFBPCGI-JZDMUPLMSA-N 385.321 3.040 0 1 GGAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O 587425388 CGHMBUREXJMRER-LHSJRXKWSA-N 386.375 3.351 0 1 GGAF CCOC[C@@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351026 SSZDBVRBNWAUIZ-PZJWPPBQSA-N 388.391 3.229 0 1 GGAF COc1ccc2c(c1OC)[C@]1(CCc3c(OCCN)cccc31)N(C)[C@@H](C)C2 962640760 RUHYSWZCPICEJC-NPMXOYFQSA-N 382.504 3.108 0 1 GGAF O=C(O)CCC[C@]1(c2cccs2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963231508 MTXGPZBABUPZSA-UWJYYQICSA-N 396.468 3.394 0 1 GGAF O=C(Nc1ccccc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 169303518 MNPKRGHVMCTCKN-COXXTLHVSA-N 384.435 3.496 0 1 GGAF CC(C)Oc1ccc(N2CCC3(CCC(O)(COCCF)CC3)C2=O)cc1 169701644 YCNLXCVDSQLZQU-UHFFFAOYSA-N 379.472 3.488 0 1 GGAF Cc1ccc([C@H](O)SNNc2ncnc3c2cnn3-c2ccccc2)cc1 1857599284 RWWKFLUVQLWJSC-LJQANCHMSA-N 378.461 3.380 0 1 GGAF CC1(C)OC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2C(=O)C[C@H]2C[C@H]4C[C@@]23CC[C@@]4(O)CO)O1 2356323362 BFMJDQAEEZUQAJ-YWMLXINVSA-N 392.536 3.063 0 1 GGAF COC(=O)c1cccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)c1 2096730 AYDNTZNSMPWWQV-JOCHJYFZSA-N 389.411 3.195 0 1 GGAF biogenic O=C(c1ccc(Cl)cc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21 6576828 LSGCURXUUXADFZ-RDGPPVDQSA-N 394.858 3.175 0 1 GGAF COc1ccc2nc(N[C@H](C)c3ncc(F)cn3)nc(Nc3cn(C)cn3)c2c1 103260245 SMHWNMNBXBTYPV-LLVKDONJSA-N 394.414 3.218 0 1 GGAF C[C@@H](c1nc(-c2ccc(S(C)(=O)=O)cc2)no1)[C@H](N)C(F)=C1CCCC1 29126131 ZCZMVYLLMXKMON-BZNIZROVSA-N 379.457 3.369 0 1 GGAF O=C(c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1)N1CCC1 114867699 ADPQAJXGMQOWHJ-UHFFFAOYSA-N 390.487 3.038 0 1 GGAF C[C@@H]1CCCC=C[C@H](O)C[C@H](O)CC=CC=C[C@H](O)CC=CC=CC(=O)O1 2356484279 OUBHFOBEGNBZID-IVAOSVALSA-N 376.493 3.136 0 1 GGAF Cc1c(CC(=O)N(C)C[C@@H]2CCCN3CCCC[C@@H]23)c(=O)oc2cc(O)ccc12 2356762272 KTLRVTCUNAPFBT-JXFKEZNVSA-N 398.503 3.072 0 1 GGAF COc1c(-c2ccc(O)cc2)oc2cc(O)c(CCC(C)(C)O)c(O)c2c1=O 14762760 KEKIPSWUQGMGCC-UHFFFAOYSA-N 386.400 3.289 0 1 GGAF biogenic NC1=N[C@]2(CO1)c1cc(-c3cncc(OCC(F)F)c3)ccc1OCC21CC1 220713921 WQKBRYBBAYLSSQ-HXUWFJFHSA-N 387.386 3.105 0 1 GGAF COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(Nc5ccccc5)[C@H](C2)N(C)CC[C@]314 195367193 QMZAHWGFWQZOLK-ZNEWLNCYSA-N 390.483 3.168 0 1 GGAF O=C(Nc1ncc(S(=O)(=O)Cc2ccccc2Cl)s1)c1ccccn1 198930050 OOYAAXVFYWLSCE-UHFFFAOYSA-N 393.877 3.418 0 1 GGAF CC/C=C\C[C@@H]1[C@@H](O)CC[C@@H]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 238771790 NWLLUBUSXVWCKJ-RKFCMIDYSA-N 398.503 3.413 0 1 GGAF Nc1cnc(-c2ccc(Cl)c(S(=O)(=O)Nc3cccc(F)c3F)c2)cn1 95572394 CKBWCIDORZJJTG-UHFFFAOYSA-N 396.806 3.458 0 1 GGAF CC[C@@H](C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@]2(O)CCC[C@H](C)[C@@]12C 95913585 UDVLOCQBYDZUGP-QHNFPCJYSA-N 380.481 3.121 0 1 GGAF biogenic,in-vitro NC(=O)c1cnn2cc(-c3cnc4ccccc4c3)cc2c1NC1CCOCC1 261103811 HASZFQZHOVRQQI-UHFFFAOYSA-N 387.443 3.239 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(CCCN3C(=O)C(CC)=C(C)N[C@@H]31)CC2=O 587487176 VSHJBOSIIVLIBC-FCHUYYIVSA-N 384.476 3.284 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ncccn2)N1 587740608 DOYKYLUHXAWOMQ-BMLIUANNSA-N 393.260 3.156 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3ccccc3OC2=O)N1 587838148 ASQNGKXVLQDHGP-YPMLDQLKSA-N 376.225 3.479 0 1 GGAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587259760 HYMHJDHPQATSNY-NSHDSACASA-N 398.772 3.456 0 1 GGAF COC(=O)c1ncccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587772956 PUKAEPRAWSQSPW-RFAUZJTJSA-N 379.229 3.393 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(N)ccc(O)c21 587388440 BUVWXZUWNHXJMC-HSZRJFAPSA-N 386.407 3.318 0 1 GGAF CC(=O)N[C@@H](Cc1nc2cc(F)cnc2[nH]1)c1ccc(Br)cc1 586986091 VQCXQZIIRBFOGH-ZDUSSCGKSA-N 377.217 3.279 0 1 GGAF CC(C)(C)OC(=O)NC1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CCC(=O)CC1 587234383 LPXWPDXPBRDTBJ-UHFFFAOYSA-N 399.373 3.186 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](O)c3cccc(N)c32)N1 587746275 LVJVIAHXSHWRGH-QKYSMQOASA-N 377.257 3.385 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc3c(c1)OCCO3)O2 587408221 LAWYLQVNOWHSRF-OAQYLSRUSA-N 383.400 3.074 0 1 GGAF CCOC(=O)Cc1ccc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c1 587246462 GLBOVPKQGBTGFL-JOCHJYFZSA-N 379.460 3.020 0 1 GGAF CCn1cc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C2CC2)n1 962982192 WPEZMZYYWZPTSX-DYVFJYSZSA-N 381.810 3.400 0 1 GGAF COc1ccc([C@]2(CCCCC(=O)O)NCCc3c(C)ccnc32)c(OC)c1 963073527 VHXZZAYFUMONFW-QFIPXVFZSA-N 384.476 3.442 0 1 GGAF COCCNC1=C[C@]2(CC(C)(C)C1)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962731229 QIWSKBAEGSSUHP-FXAWDEMLSA-N 396.453 3.468 0 1 GGAF COc1cc(-c2cc(CO)c3cc4c(cc3n2)OCCO4)cc(OC)c1OC 1772654554 SRFZHHFESUEHQN-UHFFFAOYSA-N 383.400 3.191 0 1 GGAF C[C@@H](O)c1cc2c(c3ncccc13)NS(=O)(=O)N(C)[C@H]2c1ccc(F)cc1 1772639872 OXSHPRQRTWXUSL-WYRIXSBYSA-N 387.436 3.119 0 1 GGAF CC(=O)c1ccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1 14974796 XFAJZTNGOIDMNK-UHFFFAOYSA-N 385.807 3.274 0 1 GGAF COc1ccc(OCCN2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cc1 205942303 FOHGNVLGHIBZAX-UHFFFAOYSA-N 379.460 3.013 0 1 GGAF Cn1c(CO[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2F)nc2ccccc21 2356300382 UYKPSHZRVSRPRO-MGPUTAFESA-N 383.423 3.041 0 1 GGAF O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1)N1CCCCCC1 4874094 IRZAXFGKENBQAS-KRWDZBQOSA-N 392.546 3.040 0 1 GGAF O=C(Nc1cccc(OCCN2CCNCC2)c1)NC12CC3CC(CC(C3)C1)C2 66259267 CVAPSLYNVNEBSW-UHFFFAOYSA-N 398.551 3.061 0 1 GGAF CNC(=O)c1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccc(F)cc1F 28379649 DVMXKPLKWXNNHI-UHFFFAOYSA-N 396.440 3.360 0 1 GGAF CCC[C@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 82196306 CIOBWNWYHLRCTQ-AWEZNQCLSA-N 378.476 3.250 0 1 GGAF c1ccn(C[C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1 199420112 LFHCFZRTMHKCRF-GOSISDBHSA-N 377.492 3.185 0 1 GGAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CNC[C@@H]1c1ccc(F)cc1 49110543 UEICCWGZYSXNNK-CVEARBPZSA-N 385.826 3.262 0 1 GGAF O=C(NN1C(=O)CCS[C@@H]1c1ccccc1Br)c1ccncc1 84636113 DIUVZPCKPAGIHH-MRXNPFEDSA-N 392.278 3.153 0 1 GGAF Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCC[C@@H](O)C3)cc2F)cn1 224758117 NAZOFBBKHRHLHR-OAHLLOKOSA-N 392.434 3.129 0 1 GGAF COc1ccc2c(c1)/C(=C/Nc1ccc(CN3CCCCC3)cc1)C(=O)NC2=O 40938720 ZIZIUNBOJMLGEC-STZFKDTASA-N 391.471 3.404 0 1 GGAF N[C@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@H]1Cc1ccccc1 142543770 JYTFEYCQTQEXGG-YADHBBJMSA-N 384.545 3.258 0 1 GGAF CC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 95874434 BBUYQEWTRUJGII-VABKMULXSA-N 382.479 3.264 0 1 GGAF COc1ccccc1CN1[C@@H]2CN(C(=O)C3CCC3)c3ccccc3[C@@H]2[C@@H]1CO 95893499 DDVCZMQAPAKBKJ-GIWBLDEGSA-N 392.499 3.171 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](CCCNC(=O)C1CCOCC1)CC2=O 587471376 RFLDRNBFLTVDIR-HNNXBMFYSA-N 375.465 3.002 0 1 GGAF CCN(CC)c1ccc(-c2nn(-c3ccncn3)c(=O)c3ccccc23)c(O)c1 587664778 IYGOIXGRIXLJMQ-UHFFFAOYSA-N 387.443 3.395 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCC(N)=O)c2)N1 587750923 VJSGBVJWAMBBTF-YPMLDQLKSA-N 393.256 3.076 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CN2CCN(C)CC2)N1 587764278 CWZRALLLYUEOGU-ACJLOTCBSA-N 398.364 3.437 0 1 GGAF Oc1nc(NCc2ccccc2)c2nc(-c3csc4c3CCOC4)nc-2[nH]1 587031418 GNAXKPLWKMMCSF-UHFFFAOYSA-N 379.445 3.423 0 1 GGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cncc(Br)c2[nH]1 587194578 VLQBQFGWJUDPQC-LLVKDONJSA-N 398.305 3.238 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc(OC(F)(F)F)cc41)[C@@H](C2)C3=O 587422634 PKGMSUURBBRNMC-SGTLLEGYSA-N 391.301 3.189 0 1 GGAF CCOc1ccc(C(=O)[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC 587443103 TXHXYSAYSKWIEU-QRQCRPRQSA-N 382.412 3.492 0 1 GGAF NS(=O)(=O)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587113772 ZYCRZEVZCDWBNF-UHFFFAOYSA-N 392.362 3.444 0 1 GGAF O=C(O)C1=C[C@@]2(C=CO1)NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962955762 LVLPRRDJSCZVPI-GOSISDBHSA-N 381.350 3.065 0 1 GGAF COC(=O)COc1ccc([C@]2(C)N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1 963637474 SIKFLGYNPGMBRH-PEBXRYMYSA-N 385.460 3.053 0 1 GGAF Cc1nc(C(=O)O)c([C@@]2(c3ccccc3)c3ccsc3CCN2C(N)=O)s1 962721442 ZISDHSYJSQTOHN-LJQANCHMSA-N 399.497 3.440 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc4c3OCCO4)C2)cc1 1772631433 ZEBNPUHTHRJQCR-KXBFYZLASA-N 382.460 3.313 0 1 GGAF CN(C)CCCOc1cccc([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1 169726098 XDJQQPBNBLIYAV-RTBURBONSA-N 393.512 3.248 0 1 GGAF Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3C)C[C@H]12 205223807 UHRDYMXNXQJWQF-RDJZCZTQSA-N 390.892 3.380 0 3 GGAF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(C)c(=O)n(C)c2)nc1 209433611 JUBZEVDPPJHGAZ-AEFFLSMTSA-N 392.459 3.045 0 1 GGAF CCOCC(=O)NCCN=c1cc(/C=C/c2ccccc2)[nH]c2ccccc12 1857557880 XFRGTDUYGJIVJQ-OUKQBFOZSA-N 375.472 3.392 0 1 GGAF CN1CCC(SC(=S)NCCCCNC(=O)OCc2ccccc2)CC1 1857577834 AWADVAIAJXQXLW-UHFFFAOYSA-N 395.594 3.395 0 1 GGAF COc1ccc2c(c1)cc(CN(C)Cc1cn(Cc3ccccc3)nn1)n2C 1857580318 FXCDDAUMEMPICT-UHFFFAOYSA-N 375.476 3.459 0 1 GGAF CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2CC3)sc(C)c1C 13132683 YFKSAVBJECMZLF-MXYBEHONSA-N 377.462 3.393 0 1 GGAF Cc1ccc(-c2n[nH]cc2CN2CCC(N3CCC[C@H](CO)C3)CC2)cc1C 46159498 YZYQGUMSMDUEFA-IBGZPJMESA-N 382.552 3.362 0 1 GGAF O=C(O)[C@H]1CCCN(S(=O)(=O)c2cccc(-c3ccccc3Cl)c2)C1 95556585 SBFWCFHPBVYIJM-AWEZNQCLSA-N 379.865 3.492 0 1 GGAF OC[C@H]1[C@@H](c2ccccc2)C2(CN(Cc3ccccc3)C2)N1Cc1ccncc1 95667906 GYURWMFHROKQHH-BJKOFHAPSA-N 385.511 3.297 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(F)c4)cc(O)c31)[C@H]1CC[C@@H](C2)N1 96175342 KFEHIMNFWIMKCC-BLLLJJGKSA-N 386.448 3.205 0 1 GGAF [125I]c1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1 101439987 BHMLFPOTZYRDKA-QTDWGDOFSA-N 393.241 3.400 0 1 GGAF COc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@@H]32)n1 169701357 VBUGEBALXLUROO-YOEHRIQHSA-N 392.484 3.175 0 1 GGAF COC(=O)C(CC1=NO[C@@H]2CCCC[C@@H]2[C@H]1c1ccc(OC)cc1)C(=O)OC 299839028 PLSOHEPIBYFQDX-KFKAGJAMSA-N 389.448 3.076 0 1 GGAF COc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)n1 473097941 DRVFUWPHGJGANW-CYBMUJFWSA-N 382.395 3.226 0 1 GGAF COc1cc2c3c4c1O[C@]1(C)c5c(cc(O)c(c5-4)O[C@]3(C)N(C)CC2)CCN1C 503897972 VPQDNNIKXNLIMG-XZOQPEGZSA-N 394.471 3.174 0 1 GGAF biogenic CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(F)c(C)c2[nH]1 586964421 CQNMQBKWUCIKPC-UHFFFAOYSA-N 385.472 3.467 0 1 GGAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(O)nc(O)nc2[nH]1 587034878 MLHUVGCZWIZLHG-SNVBAGLBSA-N 383.433 3.250 0 1 GGAF O=S(=O)(Nc1ccccc1-c1nc2ccnc(O)c2[nH]1)c1ccc(F)cc1 587170400 PUDPFHDNVSHZJV-UHFFFAOYSA-N 384.392 3.270 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(S(N)(=O)=O)cc3)o1)O2 587407465 AEPIEEVZRSXOAG-IBGZPJMESA-N 398.440 3.191 0 1 GGAF NC(=O)COc1ccc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962693814 DKSQOOZWJWCFLW-YCRPNKLZSA-N 386.492 3.143 0 1 GGAF COc1ccc(-c2c([C@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)cnn2C)cc1 963017359 CKMFJVNUEBQNJD-QRQCRPRQSA-N 388.471 3.238 0 1 GGAF O=C(O)[C@H](Cc1ccccc1)N[C@H](c1ccco1)c1nnnn1C1CCCCC1 1857546690 AGPYNGKUBTTWDZ-PKOBYXMFSA-N 395.463 3.146 0 1 GGAF CCO[C@@H]1OC(C(=O)NC2CC2)=C[C@H](c2c[nH]c3ccccc23)[C@H]1CCCO 13657321 UIHCIMGMERTXLI-HYFFOGBASA-N 384.476 3.196 0 3 GGAF O=C(NCc1cccnc1)c1cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)on1 61929042 BCHCULPTTKTOLU-SFHVURJKSA-N 396.491 3.286 0 3 GGAF CC(C)N1Cc2nnn(Cc3ccccc3)c2-c2cc(F)ccc2S1(=O)=O 96019379 HEYRFMWJYHKMRW-UHFFFAOYSA-N 386.452 3.045 0 3 GGAF CC(C)C[C@H]1CNC(=O)C(=O)N1CC1CCN(CC[C@H](C)c2ccccc2)CC1 199369688 NYCBAZXAFHTKLZ-UGKGYDQZSA-N 399.579 3.265 0 3 GGAF Cc1cccc(CCn2c(=O)c3ccccc3n(CC(=O)C(C)(C)C)c2=O)c1 4907376 LEQVWAJRPRWHQM-UHFFFAOYSA-N 378.472 3.330 0 1 GGAF COc1ccc2nc3n(c(=O)c2c1)CCC/C3=C\c1cc(OC)c(O)c(OC)c1 28568282 VXURYIRTOOPHBF-NTEUORMPSA-N 394.427 3.462 0 1 GGAF O=C1Nc2ccccc2CN1C1CCN(C[C@@H]2COc3ccccc3O2)CC1 27197609 CNAWWTZBCJOLBZ-GOSISDBHSA-N 379.460 3.339 0 1 GGAF COC(=O)[C@H]1[C@H](c2ccc([123I])cc2)C[C@@H]2CC[C@H]1N2C 100522194 SIIICDNNMDMWCI-ZDXHTQQSSA-N 381.247 3.031 0 1 GGAF O=C(O)c1cccc(CCc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 72126114 BQPOAKBKJXVEIQ-UHFFFAOYSA-N 382.441 3.366 0 1 GGAF CC(C)(C)CCN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 2356530542 FFNZVMCAJGQVGJ-NCYKPQTJSA-N 383.536 3.070 0 1 GGAF Cc1cc(C)cc(NC(=O)Cc2ccc(O[C@@]3(C(=O)O)CCO[C@H]3C)cc2)c1 27524841 MIWBKCLSAKCDEU-AOMKIAJQSA-N 383.444 3.496 0 1 GGAF C[C@]1(C(=O)NCc2ccccc2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61906155 HIJAVMHMELRCDN-HSZRJFAPSA-N 388.423 3.487 0 3 GGAF O=C(O)COc1ccc(Cl)cc1[C@@H]1c2scnc2CCN1C(=O)C1CC1 218005832 QFLFZDOYIWCYDQ-MRXNPFEDSA-N 392.864 3.144 0 1 GGAF CN1C[C@H](c2c[nH]cn2)[C@@H]([C@H](OC(=O)c2ccccc2)c2ccccc2)C1=O 13430799 MSVMMGAYQMSSSG-YZGWKJHDSA-N 375.428 3.180 0 1 GGAF biogenic Nc1ccccc1-c1nnc(C(=O)NCc2csc(-c3cccs3)n2)o1 43018270 VMEFKJULFNYVEW-UHFFFAOYSA-N 383.458 3.434 0 1 GGAF COc1cnc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1 45245260 GZLYPLRRKZCYLV-UHFFFAOYSA-N 383.415 3.355 0 1 GGAF in-vitro CCCCNC(=O)CN(C)C(=O)c1csc(-c2ccccc2OCC)n1 82073965 QWYOQISGWGPKEY-UHFFFAOYSA-N 375.494 3.197 0 1 GGAF COc1cc2nc(N3CCN(C)CC3)nc(NCC3CCCCC3)c2cc1OC 82119579 AMPAKKWZBQKQEU-UHFFFAOYSA-N 399.539 3.391 0 1 GGAF Cc1nc2cccnc2n2c(-c3cc(OCC[C@@H](C)O)ccc3Cl)nnc12 145709718 PXBHLHKQTVMFAS-LLVKDONJSA-N 383.839 3.451 0 1 GGAF COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C(=O)c1ccccc1)C2 140899625 FWWZVTDISJWUDM-LTMIRXACSA-N 377.440 3.061 0 1 GGAF Cc1cc(-c2cnn(CC(N)=O)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144871555 ATFQWTQFMRQWII-IBGZPJMESA-N 387.361 3.122 0 1 GGAF CC(=O)NCc1ccc2c(c1)OCCc1sc(-c3ncnn3C(C)C)nc1-2 96269638 PJYQDCJAVFXLCW-UHFFFAOYSA-N 383.477 3.221 0 1 GGAF O=C(Nc1ncc2c(-c3ccncc3)n[nH]c2c1F)N[C@H](CO)c1ccccc1 261096398 FLHUYACLSPDSOE-OAHLLOKOSA-N 392.394 3.014 0 1 GGAF CC(=O)OC[C@@](O)([C@H](O)CO)[C@@H]1C[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@@]32C)C1 473090418 OVDONPAXHCFZKS-DCCLSMNISA-N 396.568 3.293 0 1 GGAF COc1cncc(N)c1-c1nc2c(Br)ncc(Br)c2[nH]1 587252878 RBOXTCLVSOQWIO-UHFFFAOYSA-N 399.046 3.136 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(CC(=O)N(C(=O)OC(C)(C)C)C1(C)C)[C@@H](C2)C3=O 587437533 JIVFXMHGZXWHSK-ZSEKCTLFSA-N 387.432 3.127 0 1 GGAF O=C(c1cc(O)ccc1O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660591 QAOTUASEHYNSOI-UHFFFAOYSA-N 376.343 3.302 0 1 GGAF CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(OCC(=O)O)=CO1 587832751 KTWRUVHTTFGYKZ-VVVCHXIZSA-N 398.228 3.194 0 1 GGAF O=C1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 587610031 OQMWDCGXXZSBKV-SIKLNZKXSA-N 390.347 3.264 0 1 GGAF COC(=O)c1ccnc2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc12 587203956 RGSOVBYREIOLOG-UHFFFAOYSA-N 395.419 3.262 0 1 GGAF COc1ccc(NC(=O)C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 587431524 GSWUSHOWQGPTAB-IVZQSRNASA-N 397.427 3.247 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(C)cc1Br 587870012 XNGGPPJHIXWJOA-UHFFFAOYSA-N 393.216 3.272 0 1 GGAF COC(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2n1 587018965 DDJWYXQFYWICGH-UHFFFAOYSA-N 399.457 3.106 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cnccn2)N1 587739487 HKCSGWNDXKFWEZ-CVNKOXKKSA-N 391.288 3.231 0 1 GGAF COC(=O)c1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587853854 OFXBSSXUVCMHCR-FUXBKTLASA-N 385.258 3.455 0 1 GGAF CCOC(=O)C(C(=O)OCC)[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 587525171 SSBJWVYWGPMTOV-JOCHJYFZSA-N 388.460 3.422 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3cnccn3)c2)N1 587760669 PTGWVPXIYHCLSM-BTDLBPIBSA-N 388.244 3.188 0 1 GGAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(Br)cc3[nH]2)cc1 586946301 JMAMGKQAUMXJAG-UHFFFAOYSA-N 394.294 3.019 0 1 GGAF COC(=O)c1ccc(-n2c(O)cc(-c3ccco3)c2O)c(O[C@@H]2CCOC2)c1 587927772 YAHPIYOYICQRRT-CYBMUJFWSA-N 385.372 3.103 0 1 GGAF COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(Cl)c1O 963239149 ZYQIYLPEAIDGDI-YJBOKZPZSA-N 384.819 3.291 0 1 GGAF Cc1cc2c(cc1O)[C@](c1ccccn1)(c1cc(F)ccc1F)N[C@H](C(=O)O)C2 963466166 CUJDPGIHXBBNGW-PGRDOPGGSA-N 396.393 3.265 0 1 GGAF COc1cc2c(c(OC)c1OC)C(c1cc(Cl)ccc1F)=NCC(=O)N2 208125818 KSCDXKFZODYBMN-UHFFFAOYSA-N 378.787 3.294 0 1 GGAF Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 13560133 JBWGJAYPUVCZHV-UHFFFAOYSA-N 383.536 3.135 0 1 GGAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCO 13586219 YXFCZGALFBWWGX-UHFFFAOYSA-N 386.452 3.424 0 1 GGAF CC(C)C(C/C=C1\C[C@](CO)(COC(=O)c2cccc(O)c2)OC1=O)C(C)C 13704120 NTNNXALVKZRFEK-NSKACUHBSA-N 390.476 3.472 0 1 GGAF Cc1ccc(CSc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)cc1 1857595593 MJQXBXMOKJTIBS-QGZVFWFLSA-N 380.469 3.048 0 1 GGAF Cn1cc(/C=C2\C[C@](CO)(COC(=O)C3CCCCC3)OC2=O)c2ccccc21 1857635303 DPQYCBYVJBHECV-HZUJZGFBSA-N 397.471 3.363 0 1 GGAF C[C@@H](CO[N+](=O)[O-])C[C@@]12CC3CC(N)(C1)C[C@@](C[C@@H](C)CO[N+](=O)[O-])(C3)C2 1857656216 QNZPCORZIYZMEK-AHNUHHOTSA-N 385.461 3.123 0 1 GGAF O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1)N1CCOCC1 768751 OQEKELFQJCYOAC-DOTOQJQBSA-N 376.865 3.352 0 1 GGAF Cc1ccc([C@@H](OCCN2CCN(CCC(=O)O)CC2)c2ccccc2)cc1 29325603 YCZFSUXOSXWFLM-QHCPKHFHSA-N 382.504 3.193 0 1 GGAF CC(C)(C)c1cc(C[C@@H]2CC[C@@H](O)[C@H](CNCc3cccc(F)c3)O2)no1 2356302488 WQPKGYQZSQQOIN-OTWHNJEPSA-N 376.472 3.352 0 1 GGAF O=C(O)C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1Cc1nc2ccccc2[nH]1 2356305797 HWZPIYMCAMTGIU-MSOLQXFVSA-N 391.471 3.288 0 1 GGAF CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356565327 VZSUPVZEJNDVGF-WFSZCQGXSA-N 392.536 3.109 0 1 GGAF O=C(c1ccc(Cl)cc1Cl)[C@](O)(Cn1cncn1)c1ccc(F)cc1 26010978 IJYGNBNBMXUQHJ-KRWDZBQOSA-N 380.206 3.495 0 1 GGAF Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@H](C(=O)NCCc2cccs2)N(C)[C@H]31 36378273 GZZDLQKHHGJFCA-BEVDRBHNSA-N 394.544 3.449 0 3 GGAF Cc1ccccc1-c1nnc(CNc2c(C)n(C)n(-c3ccccc3)c2=O)o1 73166094 BUCGWAGIPANYJJ-UHFFFAOYSA-N 375.432 3.455 0 1 GGAF O=S(=O)(Nc1ccc([C@]23CNC[C@H]2C3)cc1)c1ccc(C(F)(F)F)cc1 35309417 CGYKRSBZMBLFJC-PBHICJAKSA-N 382.407 3.367 0 1 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CN(c1ncc(Cl)cn1)[C@H]1CCc2c(CC(=O)O)c3ccc(F)cc3n2C1 203541111 VFONLEVPAJMEOE-ZDUSSCGKSA-N 388.830 3.302 0 1 GGAF Cc1ccc(-c2nnn(CC(=O)Nc3cc(C)nn3C3CCCCC3)n2)cc1 1857585456 GOYARANKDHAVHB-UHFFFAOYSA-N 379.468 3.297 0 1 GGAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4216326 DJGARSHNWDGLPW-WDSOQIARSA-N 375.469 3.031 0 1 GGAF CCn1cc(-c2cc(C(=O)N(C)Cc3nonc3C)c3ccccc3n2)cn1 23380128 DTTWMVMQJFKEAF-UHFFFAOYSA-N 376.420 3.082 0 1 GGAF COc1ccc(CNCCCCN2CCN(Cc3ccccc3)CC2)cc1OC 69748064 DYKJJWRPCDXUAO-UHFFFAOYSA-N 397.563 3.391 0 1 GGAF CC1(C)OC(=O)C(Oc2cccc(Cl)n2)=C1c1ccc(S(C)(=O)=O)cc1 26942866 FZIZEPNKLINHJQ-UHFFFAOYSA-N 393.848 3.264 0 1 GGAF CC(C)(C)NC(=O)N1CCn2c(Cl)c(-c3cccc(C#N)c3)c(C(N)=O)c2C1 112973625 VVXIZSPQKNUICY-UHFFFAOYSA-N 399.882 3.103 0 1 GGAF N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 28826109 VGVXZBCMHPSFNK-UHFFFAOYSA-N 399.498 3.375 0 1 GGAF O=S(=O)(NCC1CC1)c1ccc(NN2CCCCC2)cc1C(F)(F)F 43197147 SFRXOSJENFVHGX-UHFFFAOYSA-N 377.432 3.207 0 1 GGAF COc1cc(-c2cn[nH]c2)cc2c(=O)[nH]c([C@H]3COc4ccc(C)cc4C3)nc12 66074385 OVQKKYZBVKEEAC-OAHLLOKOSA-N 388.427 3.349 0 1 GGAF CC(C)(C)c1ccc(CNC(=O)c2cc(CN[C@@H]3CCNC3)ccc2O)cc1 45227631 XHGTVSPHIPDEBN-LJQANCHMSA-N 381.520 3.071 0 1 GGAF O[C@](c1ccc(Cl)cc1)(c1cccnc1)c1cnc(OC(CF)CF)nc1 72101690 VKWHIRFDAWKIEO-LJQANCHMSA-N 391.805 3.496 0 1 GGAF O=C(O)CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82072026 XIVBUCLCUZFGCX-UHFFFAOYSA-N 382.216 3.194 0 1 GGAF Cc1cc(C)cc(Oc2c(CO)c(C)[nH]c(=O)c2I)c1 45245069 XTLCKZTVVWESAA-UHFFFAOYSA-N 385.201 3.189 0 1 GGAF COc1ccc(CC[C@H](C)N2C[C@@H](N)[C@@H](c3cn(C)c4cnccc34)C2)cc1 45337841 QQEKXFZDMYYJRD-KNXBSLHKSA-N 378.520 3.330 0 1 GGAF CC(=O)NCCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccccc2)n1 82132793 XHXHGVGCFVALNA-DNVCBOLYSA-N 395.507 3.000 0 1 GGAF CN1CC[C@@H](Oc2ccc3c(c2)C(=O)c2cc(O[C@@H]4CCN(C)C4)ccc2-3)C1 82152050 QUHMNQWOCWGXSJ-QZTJIDSGSA-N 378.472 3.064 0 1 GGAF O=C(O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144733054 NUSLEGAFNXGXOX-QFBILLFUSA-N 391.345 3.154 0 1 GGAF NC(=O)c1ccc(N[C@@H]2CNCC[C@H]2c2ccc(Cl)c(F)c2)c2cncnc12 143734529 NSHZNQHXFGNGRZ-KPZWWZAWSA-N 399.857 3.079 0 1 GGAF Cc1ccccc1N1CCCN(c2ccnc3sc(C(N)=O)c(N)c23)CC1 95603231 VIBIHGVOTAWXLH-UHFFFAOYSA-N 381.505 3.003 0 1 GGAF Cc1cn([C@H]2CCCN(Cc3cccc(Oc4ccccc4)c3)C2)c(=O)[nH]c1=O 95571693 UVSXXFBEAJISCP-IBGZPJMESA-N 391.471 3.474 0 1 GGAF COC1CCC2(CC1)Oc1ccc(-c3ccccc3)cc1[C@]21N=C(N)N(C)C1=O 141472475 VCBWNXHWXUEHCC-JTPBLVHTSA-N 391.471 3.056 0 1 GGAF CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(F)cc2)CC1 95576919 UOXPTNGUNWLGMI-HXUWFJFHSA-N 398.478 3.090 0 1 GGAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cccc(OC)c4[nH]3)c2)o1 586923399 KDOUOFSUPFOMLP-UHFFFAOYSA-N 398.444 3.158 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C[C@@H](N=O)C(=O)OC)(c1cccnc1)CC2=O 587488205 HUCYFSRZBAJRLH-IIBYNOLFSA-N 398.415 3.299 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(N)c(N)c41)[C@@H](C2)C3=O 587434359 UCPGBWZQDMZPDF-FYSMJZIKSA-N 398.418 3.095 0 1 GGAF Cc1ccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352629 LMPQXUUGXRIWNA-OFNKIYASSA-N 394.398 3.405 0 1 GGAF COC(=O)c1cc2nc(/C=C\S(C)(=O)=O)[nH]c2c(F)c1Nc1ccccc1 586927032 RUNUSWIOAZJECV-HJWRWDBZSA-N 389.408 3.248 0 1 GGAF Clc1c[nH]c2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc-2n1 586969554 MFWIXQPOMINGDA-UHFFFAOYSA-N 388.796 3.029 0 1 GGAF CCCCOc1cc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1Br 587971287 YDAQCDAUCJNYBW-XYYAHUGASA-N 397.225 3.003 0 1 GGAF COc1cc(N)c(I)cc1-c1nc2cc(C)cnc2[nH]1 587178370 AJOGTQXDWDWTIQ-UHFFFAOYSA-N 380.189 3.129 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnn2-c2ncccn2)N1 587757920 IAMJYMXOSIDECW-MGPLVRAMSA-N 388.244 3.188 0 1 GGAF Cc1cc(NCCCNc2ccnc3cc(Cl)ccc23)nc(NCCO)n1 204916760 FTNDUXCTYYOYJT-UHFFFAOYSA-N 386.887 3.305 0 1 GGAF O=C1CCc2ccc(OCCCCCN3CCN(c4ccccn4)CC3)cc2N1 1772628320 BCSQVUXITOSZGN-UHFFFAOYSA-N 394.519 3.338 0 1 GGAF COc1ccc(OCc2cc(C(=O)NC3CCOCC3)no2)c2ccccc12 11715211 ZAQFEMSZFVIEOZ-UHFFFAOYSA-N 382.416 3.324 0 3 GGAF COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C 12479572 WFRFSKPWWGWMNK-PKOBYXMFSA-N 386.492 3.375 0 3 GGAF CNC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 13436024 SHBSLLKGHHNCQK-UHFFFAOYSA-N 379.247 3.499 0 1 GGAF C/C=C(/C)C(=O)O[C@H]1c2cc3ccc(=O)oc3cc2O[C@@H]1C(C)(C)OC(C)=O 13461203 JSIFZCDOTCKEGQ-NXIDYTHLSA-N 386.400 3.446 0 1 GGAF O=C(O)c1ccc2c(c1)[C@H](SCCN1CCOCC1)c1ccccc1CO2 13861353 GMXHQPNVKQTICR-HXUWFJFHSA-N 385.485 3.432 0 1 GGAF COc1ccc(C=C2SC(=N)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 1857533559 FGACEBVWLBEPJX-UHFFFAOYSA-N 384.413 3.488 0 1 GGAF CN1C=CN(CCN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1=CN=O 1857535527 HBEKZZYRKMONPU-UHFFFAOYSA-N 398.488 3.161 0 1 GGAF COc1ccc(/C=C/S(=O)(=O)c2cc(OC)c(OC)c(OC)c2)cc1F 1857770961 IWNPUUWOPKIKPQ-BQYQJAHWSA-N 382.409 3.305 0 1 GGAF COc1ccccc1Nc1oc2cc(=O)ccc-2cc1C(=O)NC[C@@H]1CCCO1 4092763 BBNPKZFKUXHAED-INIZCTEOSA-N 394.427 3.406 0 3 GGAF CCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 4533677 JZWGWGWMLLNIFN-PMACEKPBSA-N 398.503 3.428 0 1 GGAF O=C(Nc1ccc(F)cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 6332313 CHYAESKJZJKSFY-SLDRDFCHSA-N 376.387 3.390 0 1 GGAF CNC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccc(Cl)c(Cl)c1 114347489 BYUUFRNHCFTPTI-HNNXBMFYSA-N 390.274 3.408 0 1 GGAF CN1CCN(C2=Nc3cc(F)ccc3Nc3nn(-c4ccccc4)cc32)CC1 26576428 BRPYQZBXHSAXJM-UHFFFAOYSA-N 376.439 3.394 0 1 GGAF CCn1c2ccccc2c2cc(S(=O)(=O)Nc3cc(OC)ncn3)ccc21 28702598 FIUOECDUIMTLTO-UHFFFAOYSA-N 382.445 3.414 0 1 GGAF Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](F)[C@@H]2C/C=C\CCC(=O)O)cc1 28229825 UVAMNKVAWOQLBS-LLUYMHMHSA-N 383.485 3.449 0 1 GGAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](c1ccccc1)(N1CCOCC1)C(=O)N2 219258805 MGWPWQSOMGBAMM-HSZRJFAPSA-N 389.455 3.486 0 1 GGAF Cn1ccnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@H]1c1ccc(F)cc1 117894723 LJXPYHXSPQXFKB-SJORKVTESA-N 379.370 3.234 0 1 GGAF CCOC(=O)[C@H]1C[C@@]23C=C[C@H]1C[C@]21CCN(C)[C@H]3Cc2ccc(OC)c(O)c21 504778954 GQLLOIMJCNXLAN-FMQYXTRESA-N 383.488 3.044 0 1 GGAF biogenic Cn1cc(C2=C(c3coc4cc(O)ccc34)C(=O)NC2=O)c2cc(F)ccc21 45496358 IWZVXJGBFMZTOU-UHFFFAOYSA-N 376.343 3.336 0 1 GGAF COc1cc2nc(N3CCC(C(=O)C4CCCC4)CC3)nc(N)c2cc1OC 84597544 DQIMKQBVWOOREF-UHFFFAOYSA-N 384.480 3.205 0 1 GGAF CSc1nn(-c2ccccc2)c2cc(N3CC[C@H](N4CCNCC4)C3)ccc12 147343701 TYWZMLKLAQFPLI-IBGZPJMESA-N 393.560 3.231 0 1 GGAF Cc1cccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(-c3ccccc3)nn4C)C2)c1 82196114 FFSJGHFSAKRMFM-UHFFFAOYSA-N 398.466 3.436 0 1 GGAF Cc1ccc(NC(=O)N[C@@H]2CCN3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3C2)cc1 25180955 BMPPBKQRDYVRDG-MJGOQNOKSA-N 392.459 3.425 0 1 GGAF biogenic CNS(=O)(=O)c1cccc(Nc2nc[nH]c3nc(-c4ccccc4)cc2-3)c1 146256051 ZDCFCBAJUCODDS-UHFFFAOYSA-N 379.445 3.228 0 1 GGAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(CCC(F)(F)F)C23CN(C(=O)CC)C3)cc1 95794352 VHTXTJHSYJXHGY-UJNJHQOQSA-N 396.453 3.423 0 1 GGAF C[C@H]1Nc2c(cccc2C(=O)NCCCN2CCCc3ccccc32)NC1=O 95920545 XBNNWBHEMSYHTJ-OAHLLOKOSA-N 378.476 3.012 0 1 GGAF in-vitro C[C@H](Nc1nccc(N2CCOC2=O)n1)c1noc(-c2ccc(Cl)cc2)n1 142107632 QTJLTOCUFQQBGG-JTQLQIEISA-N 386.799 3.310 0 1 GGAF C/C=C(\C)C(=O)O[C@@H]1C[C@H](O)[C@H](O[C@H](C)CCCCCCC(=O)O)O[C@H]1C 263614367 IARVMWOCDIKRTC-PNCSZDOMSA-N 386.485 3.191 0 1 GGAF in-vitro CCOc1ccc(C(=O)N(OCc2ccccc2)[C@H]2CC(=O)N2SC)cc1 653723897 JLISRJCMQADAEQ-GOSISDBHSA-N 386.473 3.496 0 1 GGAF O=S(=O)(/C=C/c1nc2ccc(Br)c(O)c2[nH]1)c1ccccc1 586926834 QVBFFQDOFMDZFP-CMDGGOBGSA-N 379.235 3.476 0 1 GGAF O=C(O)c1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587609687 OXPNMTWUFKIXNH-YLJYHZDGSA-N 378.336 3.499 0 1 GGAF O=C(Nc1nc(Cc2nc3nc(Cl)c[nH]c-3n2)cs1)c1cccs1 587019219 HYSFWAWHRLFWHK-UHFFFAOYSA-N 376.854 3.319 0 1 GGAF CCOC(=O)/C(=C\N(C)C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568222 BADMFXCZMRRTHR-ZTIIGVQCSA-N 397.427 3.121 0 1 GGAF Cn1c(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc2c(O)nc(O)nc2n1 587368291 MUEPXXPEGFHDOB-UHFFFAOYSA-N 378.232 3.479 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@H]1CN(C)CCO1)O2 587379480 VEAKLLKTCKKDDR-CTNGQTDRSA-N 386.879 3.422 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CC[C@@H](N)C(=O)O)(c1ccccc1)CC2=O 587471920 XGOYGQWTEQBFBG-VGOFRKELSA-N 383.444 3.398 0 1 GGAF CCCCCCc1c(CC(=O)N[C@H]2CCOC2=O)nc2cccc3c2c1CC3 587214414 ZOHHIVCUHBHBHM-IBGZPJMESA-N 380.488 3.430 0 1 GGAF CC[C@H](c1nc2cncc(OC)c2[nH]1)n1cc(I)c(C)n1 587184249 GWIRMJJMOZYCNS-LLVKDONJSA-N 397.220 3.075 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](CN1C(=O)CCC1=O)(c1ccccc1Cl)O2 587377826 KMKJTFQVORVTSE-NRFANRHFSA-N 398.846 3.240 0 1 GGAF CSc1ccc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1 587206962 PSPGBMGXNFSHEY-MRXNPFEDSA-N 385.445 3.207 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(N)ccc(N)c41)[C@@H](C2)C3=O 587434329 SXDGBHRXXQIYQB-OWJWWREXSA-N 398.418 3.095 0 1 GGAF COc1ccc(C2=Nn3c(nnc3-c3cccc(OC)c3OC)SC2)cc1 13828674 CTBXWOJDFASCAQ-UHFFFAOYSA-N 382.445 3.329 0 1 GGAF COc1ccc(-n2c(O)c(Cc3ccc(O)c(Br)c3)oc2=O)cc1 169725767 KSPJXCWZXDESFT-UHFFFAOYSA-N 392.205 3.204 0 1 GGAF Cn1c(=O)n(CCCCN2CCN(c3ccc(F)cc3)CC2)c2ccccc21 144086672 ZHOKGRSOBIVAGC-UHFFFAOYSA-N 382.483 3.082 0 1 GGAF CCCCNC(=O)CCCN1C(=O)CSc2c1c(C)nn2-c1ccccc1 6751414 IABNSRQDNVTDBL-UHFFFAOYSA-N 386.521 3.316 0 1 GGAF O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C1Cc2ccccc2C1 27074588 HBFPJNMHVFJGAS-PIOJJUFZSA-N 398.499 3.086 0 1 GGAF CCC[C@H](C)Oc1nc(N)c2nc(O)n(CCCCCC3CCNCC3)c2n1 1911577219 NLDBCTLCFNLOHN-AWEZNQCLSA-N 390.532 3.242 0 1 GGAF CCOC(=O)C1=C(OCC)C(=O)O[C@H]1c1c(Cl)c2cc(C)ccc2oc1=O 1911581199 KVFFSNCXMBMVEX-HNNXBMFYSA-N 392.791 3.206 0 1 GGAF CC(=O)O[C@@H]1[C@@H]2[C@H](Cc3occc3[C@@H]2C)[C@@]2(C)CCCC(C)(C)[C@]2(O)[C@@H]1O 199898793 ACCJIJJOPXNXTB-YGMBCQGGSA-N 376.493 3.425 0 1 GGAF O=S(=O)(N[C@@H]1[C@H]2CCCC[C@@]1(C1=NCCN1)CC2)c1ccc(Cl)s1 195090104 OLLQXCBDIMYQRB-SGIREYDYSA-N 387.958 3.021 0 1 GGAF CCC(=O)N1[C@H](CN(C)C(C)=O)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO 95894942 URWWHKBLCURBOC-GIWBLDEGSA-N 398.478 3.036 0 1 GGAF CCC[C@@H](O)CO[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1 96168554 WOLQAMHBUVHCOD-SQWLQELKSA-N 388.386 3.146 0 1 GGAF CCOC(=O)COc1ccccc1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439112 JMAFKUFJLUUISV-ZHRRBRCNSA-N 382.412 3.300 0 1 GGAF COc1ccccc1-c1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)n[nH]1 587655304 ZVRWPRXLDCIQQZ-UHFFFAOYSA-N 380.791 3.137 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCO)(c2ccc(O)cc2)N1 587824924 DNDQJADISVYNJD-ZMZPIMSZSA-N 380.257 3.454 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CC)(/C(=C\N(C)C)C(=O)OCC)CC2=O 587468690 JLPJVTTWBSUSPJ-QTIWRUEGSA-N 375.465 3.467 0 1 GGAF CNC(=O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582322 ZPQTWFXISHDXKG-OFNKIYASSA-N 389.407 3.385 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CN(Cc4ccccc4)C(=O)C14CC4)[C@@H](C2)C3=O 587439914 XOATYXPIFUWOAX-GAJHUEQPSA-N 375.424 3.004 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2cnn(C)c2)N1 587761682 CEEAPVINOMAUDK-WVSSRXBESA-N 393.304 3.175 0 1 GGAF COC(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2n1 587204782 LKSXQJXXEVLAOX-CYBMUJFWSA-N 376.457 3.226 0 1 GGAF CCc1nn(C)c(OC)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581480 LIDDMUBMXVFAMX-XLIONFOSSA-N 380.400 3.400 0 1 GGAF CCOC(=O)[C@@]1(c2ccc(Cl)c(C)c2)NCCc2c1c(C(C)C)nn2C 962907852 JJDBVXFVVBOCBW-FQEVSTJZSA-N 375.900 3.458 0 1 GGAF Cn1c([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)nc2ccc(Cl)cc21 963224455 CJFAEPFUHTZTIH-PKOBYXMFSA-N 392.846 3.463 0 1 GGAF CCc1cc(-c2nc3nc(N4CCC[C@@H](C(=O)N5CCCC5)C4)ccc3[nH]2)no1 1772611867 SYISSJKZORJKLB-CQSZACIVSA-N 394.479 3.014 0 1 GGAF FC(F)(F)C(F)(F)CN[C@H]1CC[C@@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772651826 MTLUDIPPATWNEI-AOOOYVTPSA-N 388.344 3.419 0 1 GGAF COc1ccc(CN2CCOc3ccc([C@H](O)c4cccnc4)cc3C2)cc1O 11996444 SADVSXMWTSZODT-QHCPKHFHSA-N 392.455 3.272 0 1 GGAF CC[C@@H]1CCCCN1C(=O)CCc1nnc(Cc2cc(OC)ccc2OC)o1 12835153 WCNGWJHQJLNOGP-MRXNPFEDSA-N 387.480 3.401 0 3 GGAF O=C(N1CCCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(F)c21 13745309 WKKYCLGHUOCYPV-UHFFFAOYSA-N 394.410 3.475 0 1 GGAF NCCCCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1 14967019 CXISKZTXKGURIN-HNNXBMFYSA-N 399.354 3.452 0 1 GGAF Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3ccccc3Cl)C[C@H]12 206057518 PVSKBSFFIQUJBU-GOEBONIOSA-N 376.865 3.072 0 3 GGAF CCCCNC(=O)CCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 1857548408 LYMHZHTUKGEHMM-HNNXBMFYSA-N 387.480 3.091 0 1 GGAF CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1 1857652657 RLXXRNAVTDWISC-UHFFFAOYSA-N 398.894 3.237 0 1 GGAF O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2s1 3628311 DJTAYQJBASMZPI-UHFFFAOYSA-N 385.264 3.153 0 1 GGAF O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl 4296594 KQNBMLBEURZIPA-DOTOQJQBSA-N 397.233 3.333 0 1 GGAF O=C(NCCN[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Oc1ccccc1)c1ccccc1 102970686 ZBMYESWHXYKLEC-OWZKRDHZSA-N 393.487 3.200 0 1 GGAF Cc1ccc(C(=O)O)cc1NC(=O)CSc1nnc(-c2ccccc2O)o1 103292907 IFMDSZPBOFOANN-UHFFFAOYSA-N 385.401 3.180 0 1 GGAF O=C1CN=C(c2ccccc2)c2cc(Br)ccc2N1C1CCNCC1 27769048 CUKFQVSUKANUNU-UHFFFAOYSA-N 398.304 3.385 0 1 GGAF COc1cc(-c2cc(=O)oc3cc(OC)c(OC)c(OC)c23)cc(OC)c1O 27630940 OCFXVQYNGAIYLH-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF O=C1CSC[C@H]2Nc3ccnn3[C@@H](c3ccc(F)c(Br)c3)[C@@H]12 29248697 YNZQUMXEPSTFGV-DFBGVHRSSA-N 382.258 3.100 0 1 GGAF COc1ccc2ccc(NCCN3CCN(c4ccccc4OC)CC3)nc2c1 29135423 PJMJWAVNRBMQNY-UHFFFAOYSA-N 392.503 3.486 0 1 GGAF CC(=O)O[C@@]1(C)C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CO[C@H](O)C1)O2 38253066 PYWYXDQVIHVOOS-PQFIYUSLSA-N 394.508 3.140 0 1 GGAF biogenic,in-vitro COc1cc(OC)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1OC 1647148 OHFDXRKYUVNEDD-UHFFFAOYSA-N 386.356 3.223 0 1 GGAF biogenic NCC(=O)N1CCn2c(nc(-c3ccc(Cl)cc3)c2Nc2ccc(F)cc2)C1 72142481 MNRGBQRWXKQHQW-UHFFFAOYSA-N 399.857 3.387 0 1 GGAF CCCc1ccccc1OC[C@@H](O)COc1ccc2c(=O)cc(C(=O)O)oc2c1 39213244 FZWITJXPWLXCCZ-HNNXBMFYSA-N 398.411 3.262 0 1 GGAF O=C(CCCN1c2ccccc2[C@@H]2C[C@@H]3CNCCN3C[C@@H]21)c1ccc(F)cc1 40592392 IIYOGQVRYCSVTF-NWSQWKLXSA-N 393.506 3.439 0 1 GGAF Cc1ccc(S(=O)(=O)N2C[C@@H](N)[C@H](c3ccc(Cl)cc3Cl)C2)cc1 40605931 XFWVFJXNYYSICX-DOTOQJQBSA-N 385.316 3.417 0 1 GGAF in-vivo COc1ccc(Cc2cnc(N)nc2N)cc1OCCCOc1ccccc1 45193284 PMUUCHDHBOFSTB-UHFFFAOYSA-N 380.448 3.088 0 1 GGAF CCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(=O)c1ccncc1 95895098 OPNPVISNSSGKSU-DNVJHFABSA-N 391.515 3.228 0 1 GGAF Cc1cc(C)c2nc(O)c(CN(CCO)C(=S)Nc3ccc(O)cc3)cc2c1 261101244 GJJDKMIHKNXATK-UHFFFAOYSA-N 397.500 3.454 0 1 GGAF in-vitro CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 586974944 YVPPIRAHLJFKII-QZTJIDSGSA-N 383.477 3.397 0 1 GGAF CN(C)S(=O)(=O)c1cccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c12 586877613 GYTYHXVXTKGDJE-UHFFFAOYSA-N 397.500 3.242 0 1 GGAF O=C1CCc2cc3nc(-c4cncc(I)c4)[nH]c3cc2N1 587185711 WRYYZMJMMGTRGZ-UHFFFAOYSA-N 390.184 3.114 0 1 GGAF COc1ccccc1OCC(=O)c1c(CO)oc2cc(Br)cnc12 587274510 WZEMRZLCMJMYSY-UHFFFAOYSA-N 392.205 3.353 0 1 GGAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)cc2N1 587124197 LZZVKGRMYGAVMF-UEXBWHTRSA-N 379.346 3.458 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2nn[nH]n2)c1 587592431 HCKXYRGHFDLDGI-XLIONFOSSA-N 386.367 3.275 0 1 GGAF Cc1c(I)cnn1[C@H](C)c1nc2cncc(Cl)c2[nH]1 587183026 UKZBOPNZGMAHGR-SSDOTTSWSA-N 387.612 3.330 0 1 GGAF O=C([C@@H]1Cc2ccccc2[C@H](c2ccc(-n3cncn3)c(F)c2)N1)C(F)(F)F 962762422 IYTHHMLSJFZFBD-RDJZCZTQSA-N 390.340 3.142 0 1 GGAF CC(C)NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O 169325571 HTWDVQUHESBCJB-UHFFFAOYSA-N 389.043 3.456 0 1 GGAF COCCCn1nc(C)c2ccc([C@H](C)N(C(=O)[C@H]3CCNC3)C3CC3)cc21 1772573304 VMLGMUXMAQTLIO-WMZOPIPTSA-N 384.524 3.043 0 1 GGAF CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(Cn3ccnn3)c2cn1 1772608814 IHEDUPSAYQMLJB-UHFFFAOYSA-N 387.447 3.386 0 1 GGAF CN(C)Cc1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651132 JTCIOHMRIDZGSZ-FQEVSTJZSA-N 375.472 3.247 0 1 GGAF CN(C)C[C@H](O)COc1ccc(Nc2nccc(Nc3ccccc3)n2)cc1 13537932 BFEVMCZTMCQMQX-SFHVURJKSA-N 379.464 3.265 0 1 GGAF CC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 763153 LWMHIWKFVJDMLA-MJGOQNOKSA-N 386.492 3.340 0 1 GGAF CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2ccc(C(N)=O)cn12 13801039 UWSLDKSEIJRUES-UHFFFAOYSA-N 378.476 3.291 0 1 GGAF COc1ccc2c(c1OC)CN1CCc3cc(OC)c(OC)c4c3[C@H]1[C@]2(C)CO4 14636299 IHQZGVHNVCMUMQ-XZOQPEGZSA-N 397.471 3.484 0 1 GGAF biogenic CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2)C1=O 15953605 HERFNNTYFIIIDQ-YLJYHZDGSA-N 379.847 3.136 0 1 GGAF biogenic O=c1ccoc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc12 22941721 ZBMIBAPXRWTUAX-UHFFFAOYSA-N 378.472 3.380 0 1 GGAF C[C@H](NC(=O)Cc1ccc(-c2nnn[nH]2)cc1)c1ccccc1N1CCCCC1 27562910 VEBIRGSBGDCOOI-INIZCTEOSA-N 390.491 3.277 0 1 GGAF CC(=O)Nc1ccc(C2=Nn3cc(CO)nc3Cc3ccc(Cl)cc32)cc1 28524647 YDVIFUUKFCXFMO-UHFFFAOYSA-N 380.835 3.192 0 1 GGAF O=C(O[C@@H]1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1ccc(CCF)cc1 29462568 AXYNUUVRRMNNRY-FYYLOGMGSA-N 383.463 3.072 0 1 GGAF CN(C)c1ccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)cc1 33362332 MEJJAMUVOAWDRQ-UHFFFAOYSA-N 377.492 3.107 0 1 GGAF O=C(CN1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCCCn1cccn1 39371804 MCUGYJANCWEKMQ-JOCHJYFZSA-N 390.487 3.025 0 1 GGAF C[C@@H]1CN(Cc2ccncc2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 40899530 WLDFBXGCKXAERK-QGZVFWFLSA-N 387.549 3.274 0 1 GGAF CCOC(=O)C1=C(Nc2ccc(F)cc2)N=C(c2ccccc2)N2CCN=C12 45300828 HIGLPQKUVRBIAC-UHFFFAOYSA-N 378.407 3.187 0 1 GGAF O=C1c2cc3c(cc2OCN1CCc1ccccc1Cl)C(=O)N1CCC[C@H]1O3 72173355 HXCMAFWMROYDLN-LJQANCHMSA-N 398.846 3.329 0 1 GGAF CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Oc1cccc2oc(=O)[nH]c12 95604682 XRKISMIHCPSNKK-CQSZACIVSA-N 398.415 3.163 0 1 GGAF COc1ccc2c(c1)[n+]([O-])c(C(=O)Nc1ccccc1)c(-c1ccccc1)[n+]2[O-] 101650559 ZTOJOSPEZDAFBD-UHFFFAOYSA-N 387.395 3.035 0 1 GGAF CC(=O)[C@@H](C(=O)c1ccc(C)cc1)[C@H]1OC(C)(C)O[C@H]1[C@H]1COC(C)(C)O1 102937389 BZFZGHUYWOTJBG-KCITZHQASA-N 376.449 3.055 0 1 GGAF CCNC(=O)Nc1cc(NCc2cccnc2)c(C(=O)Nc2ccccc2)cn1 144810781 ZOVHLAOQOUHTLL-UHFFFAOYSA-N 390.447 3.482 0 1 GGAF Cc1nc([C@@](C)(CC2CC2)NC(=O)c2cc(OCCF)c(C3CC3)cn2)no1 146300589 KPAGEHBKYZRGRG-HXUWFJFHSA-N 388.443 3.444 0 1 GGAF O=C(C[C@H]1CCOC1)Nc1ccc(NC(=O)N2Cc3ccc(CO)cc3C2)cc1 167136894 IUNZNUUMZNQPTB-MRXNPFEDSA-N 395.459 3.092 0 1 GGAF Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCCC[C@H]4CF)ccc23)cn1 205653622 ITUOJNNMBMMLTR-INIZCTEOSA-N 381.455 3.058 0 1 GGAF CC[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C)c(NC(C)(C)C)nc34)[nH]c21 223422298 RKNBXYNQXGECFV-CQSZACIVSA-N 379.464 3.334 0 1 GGAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4C=CN(C2=O)[C@@H]13 238738592 DJLOEMJGBZHPMQ-IMDACWRGSA-N 380.444 3.219 0 1 GGAF CC(=O)OC[C@]1(O)OC[C@]23CC[C@H]4[C@@H](CC[C@H]5CC(=O)CC[C@]54C)[C@@H]2CC[C@H]13 299850038 KHPQUAVODVOVLY-PAYZTHBLSA-N 390.520 3.476 0 1 GGAF C[C@]1(CC(=O)C(=O)O)[C@H](CC(=O)O)CC[C@@H]2[C@@H]1CC[C@@]1(C)[C@H]2CC[C@]1(C)O 299854378 XMNNXNJNKKPLGA-DARNACAXSA-N 380.481 3.115 0 1 GGAF COc1c(-c2cnc3[nH]cc(C(=O)c4ccc(CO)cc4Cl)c3c2)cnn1C 473089562 RYCCEJFMPINKHD-UHFFFAOYSA-N 396.834 3.349 0 1 GGAF O=C(c1ccccc1)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1 586967365 YJEIYBYGUQONRL-UHFFFAOYSA-N 378.413 3.287 0 1 GGAF FC(F)(F)c1nn(Cc2nc3c(S)nc(S)nc3[nH]2)c2c1CCCC2 587119990 MOJITOBTXREQJP-UHFFFAOYSA-N 386.428 3.073 0 1 GGAF COC(=O)CC[C@H](N)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587258633 PRUOAQGSWPNHRF-QMMMGPOBSA-N 380.164 3.297 0 1 GGAF COCCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351265 TUMUWDGKLQDPNV-TZIWHRDSSA-N 388.391 3.229 0 1 GGAF COc1cccc(-c2cc(CC(=O)NCC(=O)O)nc3c2oc2ccccc23)c1 587360969 SFXKLWVLNZRKLY-UHFFFAOYSA-N 390.395 3.400 0 1 GGAF COc1cc2c3c(c1)O[C@@H](CCC(=O)[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433812 WWDXWZJTSSPNSE-PEYYIBSZSA-N 389.448 3.074 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3cc(C(=O)O)nn3c1C)CC2=O 587479906 ASXBWASJBMBALK-OAQYLSRUSA-N 395.415 3.275 0 1 GGAF CN=c1[nH]c(SC)ncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610607 CYLQUVGAOJDFAV-YJBOKZPZSA-N 395.440 3.071 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1cc(F)ccc12 587731889 LYHKQEQXNLJTHZ-LZVRBXCZSA-N 393.231 3.482 0 1 GGAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587930935 ICHVCZLFFHRQRQ-QRWLVFNGSA-N 385.489 3.267 0 1 GGAF c1cc(-c2cc3ccccc3[nH]2)cc(N2CC[C@H](NCCN3CCOCC3)C2)c1 618012663 VDCIVDCZQJBJJO-NRFANRHFSA-N 390.531 3.335 0 1 GGAF NC[C@H](O)CNc1cc(N2CCC(c3ccccc3)CC2)nc2ccccc12 653823864 UXQGUTZHOUFLOP-IBGZPJMESA-N 376.504 3.350 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@](c1cccs1)(c1ccc(CN)s1)NCC2 962928964 UYOJWWVNDZXNQI-NRFANRHFSA-N 397.569 3.408 0 1 GGAF Cc1c(O)ccc2c1[C@](c1ccc3nc(O)oc3c1)(C(C)C)N[C@H](C(=O)O)C2 963524223 KAGCRUBEZISRBF-YCRPNKLZSA-N 382.416 3.046 0 1 GGAF CCCN1C(=O)[C@@H]2C=N[C@@](c3ccccc3)(P(=O)(OCC)OCC)[C@@H]2C1=O 1857606392 FLAZLPIQMXSVCP-GJYPPUQNSA-N 392.392 3.201 0 1 GGAF COc1ccc2nc(CO[C@H]3CN(Cc4ccc(C(=O)O)cc4)C[C@@H]3F)[nH]c2c1 2356299278 DOFFAGNHOGHQAJ-LPHOPBHVSA-N 399.422 3.009 0 1 GGAF CCNC[C@@H]1[C@H]2C=C[C@H]3[N@]([C@@H]2[C@@H](c2ccc(C=O)cc2)C2CCCCC2)[C@@]13O 2356366772 PZVOQJJAHWFYHS-TXGJRDLWSA-N 380.532 3.330 0 1 GGAF Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)[C@@H]3CCCO3)cc2c1 8586214 OEEDBHZQBUJUTR-IBGZPJMESA-N 380.444 3.446 0 3 GGAF COc1cc(/C=C/CN2CCC(CO)(C[C@@H]3CCCCO3)CC2)ccc1O 12712852 TXKRYNQCROZPKZ-PXPVJAHISA-N 375.509 3.448 0 3 GGAF CC(C)C[C@H](NC(=O)c1cn(-c2ccncc2)c(-c2ccccc2)n1)C(=O)O 103233119 HZXZWURHIFUYLB-KRWDZBQOSA-N 378.432 3.163 0 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O=C(c1ccnn1C(F)F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659250 ZMGILWGSKCDPOJ-UHFFFAOYSA-N 384.317 3.483 0 1 GGAF N=c1[nH]c2c(s1)C[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587618702 PZFNLAQGDGUOIQ-OXJNMPFZSA-N 380.425 3.151 0 1 GGAF COc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)n1 587776319 WNMAJWVHXXQOJO-XLKFXECMSA-N 382.233 3.019 0 1 GGAF Clc1ncc(I)c2nc(C3CC4(COC4)C3)[nH]c12 586915462 DHBWCLSBVQWBJC-UHFFFAOYSA-N 375.597 3.110 0 1 GGAF C[C@H]1C(=O)CC[C@H]1Cc1nc2c(I)cnc(Cl)c2[nH]1 587963043 LGHSBXIWFCPMGR-RQJHMYQMSA-N 389.624 3.374 0 1 GGAF COC(=O)c1ccnc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587588762 SBFVEVYKLOATDO-XMSQKQJNSA-N 391.379 3.451 0 1 GGAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)C2 586887076 SOYRDXKERDENHF-DCAQKATOSA-N 384.379 3.495 0 1 GGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)cnc2[nH]1 586965489 ZAYKPKXWQMIOMD-UHFFFAOYSA-N 388.888 3.068 0 1 GGAF Cc1cc(=NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]o1 587742638 LGKGAWKPDZHRNT-XLFHBGCDSA-N 396.260 3.085 0 1 GGAF CNS(=O)(=O)c1cc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)n(C)c1 586947526 QTUVBUNBPHEKNX-UHFFFAOYSA-N 392.790 3.149 0 1 GGAF CCS(=O)(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360907 QZJZHUQXOOZOKY-HKUYNNGSSA-N 378.421 3.084 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(N4C[C@@H](C)O[C@H](C)C4)nc1)[C@@H](C2)C3=O 587439453 UJLPKKRIUVZLPN-HMUFGYNFSA-N 380.444 3.193 0 1 GGAF CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cn3ccnc3)c2)c2cnccc21 1772625966 KRDCZGXEMKNLGF-UHFFFAOYSA-N 388.431 3.078 0 1 GGAF CCn1cc(-c2ccc(OC)cc2)c(=O)c2cc(F)c(N3CCNCC3)cc21 1772649891 DXWRHVGUPVWXDD-UHFFFAOYSA-N 381.451 3.246 0 1 GGAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCn2ccnc2[C@H]1CN1CCCC1 11687241 KVJYPMVFNCXSTH-QGZVFWFLSA-N 393.318 3.412 0 1 GGAF O=C(CCc1nnc(-c2ccsc2)o1)N1CCCC[C@@H]1CCn1ccnc1 12433991 IIQDYJUSKOCVMN-MRXNPFEDSA-N 385.493 3.399 0 3 GGAF CC(C)c1cc(-n2nncc2-c2ccc(CN3CCOCC3)cc2)c(O)cc1O 169311404 QETISTDEYMGRCN-UHFFFAOYSA-N 394.475 3.301 0 1 GGAF COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(C)CC3)cc2)c1 205042345 HKYZGFJXDBMVRB-UHFFFAOYSA-N 387.911 3.391 0 1 GGAF O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1cc(=O)n(O)c(O)n1 1857608026 CKYOOFVIKZGYRP-UHFFFAOYSA-N 376.290 3.103 0 1 GGAF CS(=O)(=O)Nc1cccc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)c1 1857614141 UMYPGGOMPCIVEL-UHFFFAOYSA-N 380.429 3.140 0 1 GGAF COc1ccc(/C=C(\F)S(=O)(=O)c2cc(OC)c(OC)c(OC)c2)cc1O 1857653348 JWDFWCPMMXPJAN-CAOOACKPSA-N 398.408 3.168 0 1 GGAF CC(C)(C)c1noc(-c2ccc(-c3ccccc3)cc2)c1C(=O)NC[C@@H](O)CO 776262 HLKQTIXJPLAKAP-GOSISDBHSA-N 394.471 3.389 0 1 GGAF O=C(NCCCN1CCCC1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4048907 QHHLYNHMPVXOCG-IRLDBZIGSA-N 377.488 3.381 0 1 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4151866 QYEQWAMLFYUAEE-AQKFKSFVSA-N 395.503 3.243 0 1 GGAF CC[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2C(=O)[C@H](N)CCSC 100706991 FKRBSIPVULUMDG-RDPOXOKHSA-N 376.566 3.304 0 1 GGAF O=C(O)COc1cccc(CN2CC[C@@H](Nc3cccc4cnccc34)C2)c1 114336083 UPWDVLSJGHGBFP-GOSISDBHSA-N 377.444 3.385 0 1 GGAF 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ATLOOZSWOYMFRX-UHFFFAOYSA-N 381.436 3.285 0 1 GGAF COC(=O)c1ccc2nc(CO[C@@H]3CN(Cc4ccccc4)C[C@@H]3F)[nH]c2c1 2356302229 PGXRZYJMPOJOQW-QFBILLFUSA-N 383.423 3.089 0 1 GGAF COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1 4043489 HIBHUENMPHKSLF-PKOBYXMFSA-N 387.505 3.059 0 1 GGAF Cn1c(SCC(=O)NCCc2ccccc2)nc2c3ccccc3nc-2c1O 100705196 ZVGCTPVLWZPXAY-UHFFFAOYSA-N 392.484 3.230 0 1 GGAF CCOC(=O)CCn1c(=N)n(CC(=O)c2ccc(Cl)cc2)c2ccccc21 29125734 BLKSDTGJDRGAEP-UHFFFAOYSA-N 385.851 3.412 0 1 GGAF CC(C)C[C@@H](CN)CC(=O)O[C@H](C)CCOC(=O)CC1(CN)CCCCC1 26504944 ZGALBOGENJIMGG-QZTJIDSGSA-N 384.561 3.162 0 1 GGAF COc1cc2c(cc1OC)CC(=O)N(CCCNCCc1ccccc1)C=C2 26395675 LCNDWNQQECOAIA-UHFFFAOYSA-N 380.488 3.282 0 1 GGAF COc1ccc(C[C@@H](CO)n2cc(-c3cccc(O)c3)c3c(N)ncnc32)cc1 27988138 RLICCWOKSVSSOF-INIZCTEOSA-N 390.443 3.171 0 1 GGAF COc1c(O)c(Cc2cc[nH]c2)c2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 2356812848 OGWPIGBRDKPBDL-INIZCTEOSA-N 381.384 3.437 0 1 GGAF Cc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)[n+](=O)c2ccccc2n1O 64415742 FZSPTFUZGOMOKB-UHFFFAOYSA-O 378.330 3.050 0 1 GGAF Cc1cc(OCC(=O)O)c(C)c2c1CC[C@@H]([C@H](C)C(=O)N1CCSCC1)C2 4222647 XGOCWEOWIUHLHK-GOEBONIOSA-N 391.533 3.083 0 1 GGAF biogenic CC(=O)N[C@H](CSCC1=CC=C2C=Cc3cccc4c3[C@@H]2C1=CC4)C(=O)O 71332182 YSISPQXLVACETJ-CTNGQTDRSA-N 379.481 3.468 0 1 GGAF COc1ccc([C@@H]2Oc3c(ccc(OC)c3OC)C[C@@H]2OC(C)=O)cc1OC 14643035 RRIRLULKYVXVEX-OALUTQOASA-N 388.416 3.329 0 1 GGAF biogenic CC(=O)N1CCN(c2ncc(-c3ncc(C)o3)c(-c3ccccc3C)n2)CC1 82177403 NZULRMMTXXBGPK-UHFFFAOYSA-N 377.448 3.084 0 1 GGAF CCCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)C)c21 43120001 NZNKKVAKWFXYMP-UHFFFAOYSA-N 381.542 3.432 0 1 GGAF C[C@]1(CO)Cc2nnc(C3(c4ccc(-c5cccnc5)cc4)CC3)n2CCS1 148299949 RCJRSUJOPLWBPI-OAQYLSRUSA-N 392.528 3.460 0 1 GGAF Cc1cc(N2CCc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)ccn1 95597973 JDXVAKJTFLYUKV-UHFFFAOYSA-N 389.459 3.083 0 1 GGAF COc1ccc(-c2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n[nH]2)cc1 587653700 DUDUIFFVPIHGET-UHFFFAOYSA-N 380.791 3.137 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC[C@@H]4CO4)c(OC)c1)[C@@H](C2)C3=O 587456731 XUFOIONGVODHSN-PONJGIIJSA-N 382.412 3.144 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4)nn4cc[nH]c(=O)c14)[C@@H](C2)C3=O 587435688 IMHLPMSIXYTEER-OYHNWAKOSA-N 399.406 3.187 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1c[nH]c3ncccc13)CC2=O 587479381 BULDLSTZVHLMDI-OAQYLSRUSA-N 380.400 3.255 0 1 GGAF Cc1cnc(Cl)c2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc12 586928900 LNLZSEIQRUFGDA-UHFFFAOYSA-N 385.276 3.394 0 1 GGAF C[C@H](Cc1ccccc1)N1CCC2(CC1)N[C@H](C(=O)O)Cc1cccc(F)c12 962900744 JJBZZXDGZCCQAX-UZLBHIALSA-N 382.479 3.347 0 1 GGAF COc1cc2c(cc1OC)-c1c(c(=NCCN(C)C)c3ccccc3n1C)CC2 1772591000 XZPZWBQBPSTIGS-UHFFFAOYSA-N 391.515 3.423 0 1 GGAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccccn2)c1F 1772589931 SSBGXTJRJOWAHZ-SMDDNHRTSA-N 377.847 3.410 0 1 GGAF Cc1cc(NS(=O)(=O)c2ccc(Nc3nncc4ccccc34)cc2)no1 1772652120 RTWIUHXCAFIOQK-UHFFFAOYSA-N 381.417 3.471 0 1 GGAF CC(C)(C)OC(=O)[C@H]1[C@H](c2ccco2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O 169300692 MOGZQUYGWOBQHJ-IWLLQYOYSA-N 394.464 3.003 0 1 GGAF CN1C(=O)[C@H]([C@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)c2ccccc21 169490080 BGIKYDQVZJXXMV-QPPBQGQZSA-N 384.435 3.181 0 3 GGAF Cc1ccc(CCC(=O)Nc2cncc(C(=O)c3cn(C)c4ncncc34)c2)cc1 169707877 HKACGTDMMXRYJJ-UHFFFAOYSA-N 399.454 3.474 0 1 GGAF C[C@]1(c2nnnn2Cc2ccccc2)CCSCC(=O)N1Cc1cccs1 203465801 ZKBXRASOPUFUPJ-LJQANCHMSA-N 399.545 3.164 0 3 GGAF O=C(CCc1cccc2c1B(O)OC2)Nc1cccc(-c2ccc(F)cc2)c1 1857619156 KAUXWSFQCONGGJ-UHFFFAOYSA-N 375.208 3.282 0 1 GGAF CC(C)(C)NCCCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 3788167 HKXOHUGHTSMLMQ-KRWDZBQOSA-N 394.512 3.364 0 1 GGAF O=S(=O)(c1ccccc1)N1CCC2(CCCN(Cc3ccncc3)C2)CC1 3956087 YSWJZLJBCCETRW-UHFFFAOYSA-N 385.533 3.149 0 1 GGAF COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)o2)cc1 6772188 XCLOPRCEFNSYGO-HUUCEWRRSA-N 391.489 3.380 0 3 GGAF CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@@H]1C5 100880139 YYMLAPSSCTYSTC-ZQAWKMMESA-N 388.467 3.183 0 1 GGAF COc1cc(N(C)C)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 28231804 KMYLBLPBNZMPMC-MRXNPFEDSA-N 387.911 3.419 0 1 GGAF CC(=O)OCC1=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12CC[C@@](C)(CC(=O)O)O2 2356484194 LMKZVXRITQUETB-VJMBVAOUSA-N 394.508 3.466 0 1 GGAF O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4cccc5c4[C@@]2(CCN3)[C@H]1O5 64380897 LHXRRCLMUIHDCC-DDKRZIBASA-N 389.495 3.355 0 1 GGAF COc1cc(Nc2ncc3c(n2)N(c2ccccn2)CC3)cc(OC)c1OC 36348584 DCJLVDPCLZBHMK-UHFFFAOYSA-N 379.420 3.335 0 1 GGAF O=C(NCCCCN1CCCN[C@H](c2ccccc2)CC1=O)c1ccccc1 15147705 XMSVRBIVBUEBCF-NRFANRHFSA-N 379.504 3.150 0 1 GGAF biogenic COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2CN2CCC(F)(F)C2)nc1 149501013 KBDHBQFXPCRQDT-PBHICJAKSA-N 390.434 3.212 0 1 GGAF CCN1C(NCc2ccco2)=N[C@H](CCc2ccccc2)[C@H](C(=O)OC)[C@@H]1C 195400136 QEWJMKNMGVFONC-PWIZWCRZSA-N 383.492 3.240 0 1 GGAF O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2C[C@H]3C[C@@H]3C2)cc1F 261098771 FWELSPUFIZEVIM-KBPBESRZSA-N 393.480 3.350 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nccc(C(F)(F)F)n3)C2)cc1 261148386 OJRJRZZBAIQQGH-BLLLJJGKSA-N 394.397 3.350 0 1 GGAF CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OC/C=C/c2ccccc2)O1 2178319840 CLXOVXBDVLYCKL-RRQYWWGZSA-N 376.449 3.113 0 1 GGAF O=C1c2ccccc2-c2cc(C3CCS(=O)(=O)CC3)nc3ccc(O)c1c23 586993049 DGTBYLVXXBMIQP-UHFFFAOYSA-N 379.437 3.444 0 1 GGAF CCCc1c(O)ccc2c1O[C@](c1ccncc1)([C@H]1CCCN(C)C1=O)CC2=O 587474174 FGSINCDOQLLVAJ-FDDCHVKYSA-N 394.471 3.469 0 1 GGAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)cn3)c(CCC(=O)O)c2c1 587649779 SYVBOCWICKRGHU-UHFFFAOYSA-N 378.837 3.304 0 1 GGAF COc1ccc(-c2nc3cc(N)c(N)cc3[nH]2)c(I)c1 587179667 FNFQNSRWWWTCIV-UHFFFAOYSA-N 380.189 3.008 0 1 GGAF COc1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1 587024346 WJSVBKGMXGZYBO-UHFFFAOYSA-N 380.433 3.056 0 1 GGAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)cc2N1 587124453 ABOYOVDVHRDBKF-XRGYYRRGSA-N 391.279 3.494 0 1 GGAF N=C(N)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587018424 ADONPQHXHOKIAK-UHFFFAOYSA-N 391.456 3.332 0 1 GGAF COc1ccc(-c2ccc3ncnc(O[C@H]4CCN(C(C)=O)C4)c3c2)cc1OC 1772589873 XMWNQYUMDITPFO-KRWDZBQOSA-N 393.443 3.314 0 1 GGAF C[C@H](NC(=O)Cn1cccc1C(=O)c1ccccc1)c1ccc2c(c1)OCCO2 5142627 UQMHSPCOYWPNCG-INIZCTEOSA-N 390.439 3.368 0 3 GGAF CNc1nc(Nc2ccc(-c3cnnn3C)cc2OC)ncc1C(F)(F)F 169704332 HHMTVFGOFJWZQI-UHFFFAOYSA-N 379.346 3.085 0 1 GGAF COC(=O)c1cc2cc(NC(=O)Cc3ccccc3Br)cnc2[nH]1 205522474 CODCQTMXAPPTGL-UHFFFAOYSA-N 388.221 3.293 0 1 GGAF N=C1NC(=N)N(c2ccc(Cl)cc2)[C@]2(CCCN(Cc3ccccc3)C2)N1 1857538003 WBSUGTUOYYYWIV-FQEVSTJZSA-N 382.899 3.201 0 1 GGAF COC(=O)[C@H]1CC(=O)N(c2cccc(COc3ccc(C(C)=O)c(F)c3)c2)C1 26394964 ILRORFXHZRZTBP-HNNXBMFYSA-N 385.391 3.133 0 1 GGAF CC[C@@H](C)[C@H]1Nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2NC1=O 6785579 XGCVCZCMGITBDB-CWTRNNRKSA-N 381.432 3.124 0 3 GGAF CCC(=O)N1CCc2cc(CNS(=O)(=O)c3ccc(Cl)s3)ccc21 8599382 UAWQMIPWSUUTDY-UHFFFAOYSA-N 384.910 3.179 0 1 GGAF CC(=O)[C@@H](C(=O)c1ccc(C)cc1)[C@@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1 102965250 BZFZGHUYWOTJBG-JFRXWTBNSA-N 376.449 3.055 0 1 GGAF CC(=O)N1N=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]1c1ccc(Cl)cc1 66259264 QNSIXESSHMSQMT-GOSISDBHSA-N 376.865 3.441 0 1 GGAF O=C(c1cscn1)N1CCN2C(=O)c3ccncc3[C@]12c1ccc(Cl)cc1 115087574 ZDHFTZLLCVOALC-IBGZPJMESA-N 396.859 3.004 0 1 GGAF Cc1ccc(S(=O)(=O)N2C[C@@H](N)[C@@H](c3ccc(Cl)cc3Cl)C2)cc1 28899419 XFWVFJXNYYSICX-NVXWUHKLSA-N 385.316 3.417 0 1 GGAF in-vivo O=C(c1cccc2cc[nH]c12)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 116828404 CVEVUCIKZYPPRJ-IRXDYDNUSA-N 383.455 3.320 0 1 GGAF O=S(=O)(c1cccc2ccccc12)c1cccc2nc(N3CCNCC3)oc12 40862426 GRVAKKWCWJOKSU-UHFFFAOYSA-N 393.468 3.223 0 1 GGAF CC(C)Oc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C(C)C)n2)cnc1N 146440611 LNMMNDJBUGQDOA-UHFFFAOYSA-N 399.539 3.474 0 1 GGAF Cc1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1-c1ccc(C(=O)O)cc1 95579240 GUGRIDDHBAACKA-UHFFFAOYSA-N 379.460 3.433 0 1 GGAF Brc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12 149016773 JFSFDKKSPUEHIX-SNVBAGLBSA-N 376.283 3.290 0 1 GGAF Cc1cccc(C(=O)N2CCC(Oc3ncccc3C3CCOCC3)CC2)n1 96168907 UHLUOUZARCAWMX-UHFFFAOYSA-N 381.476 3.363 0 1 GGAF COc1cccc(NC(=O)N2[C@H](CO)[C@H](c3ccccc3)[C@@H]2CNC(C)C)c1 95895196 RLOBSZGUXAQKLP-PWRODBHTSA-N 383.492 3.054 0 1 GGAF CC(C)CCNc1ccc(-c2cnc3ccc(N4CCC(N)CC4)nn23)cn1 96907656 WRLSFIWLUITXLE-UHFFFAOYSA-N 379.512 3.177 0 1 GGAF Cc1cccc2ccc(N3CC(c4nccnc4N4CCC(CO)CC4)C3)nc12 145873527 ZGMSJGYKQJGECE-UHFFFAOYSA-N 389.503 3.146 0 1 GGAF COc1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nn1-c1ccccc1F 95556696 RQQTYVIPHKLYFS-INIZCTEOSA-N 397.406 3.274 0 1 GGAF COc1cc2c(cc1OS(=O)(=O)O)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 31705504 SCVLBAOQZXPGMZ-QRDCCXFBSA-N 380.462 3.302 0 1 GGAF biogenic CC(=O)[C@]1(O)[C@@H](C)C[C@@H]2[C@H]3C[C@H](F)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 263591292 UOHQEFKIKABMNS-UYROJELVSA-N 382.516 3.019 0 3 GGAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(F)cc3F)c2)c1 653895437 LFPYQRAZOBUWFO-UHFFFAOYSA-N 383.354 3.290 0 1 GGAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587427795 GBHFLTGKNYEJNA-ISLBAOEISA-N 395.455 3.431 0 1 GGAF COC(=O)c1ccnc2[nH]c(CCNc3ccc(Br)cc3)nc12 586996060 OGLJUPJNFXLFHA-UHFFFAOYSA-N 375.226 3.162 0 1 GGAF CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@]12CCCO2 587608362 KIYHFQQOACIJNW-RPHTVSPISA-N 382.412 3.451 0 1 GGAF OC1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CCOCC1 586912391 CWIMMEVZBMNRGI-UHFFFAOYSA-N 381.148 3.222 0 1 GGAF O[C@@H](c1nc2cc(I)cnc2[nH]1)c1ccccc1Cl 587058613 HLZITUVCUBSFOB-LLVKDONJSA-N 385.592 3.298 0 1 GGAF COc1cc(CC(=O)O)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587398642 GITOYHIYGFXYDH-NRFANRHFSA-N 385.416 3.102 0 1 GGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Br)c(C)nc2[nH]1 587230593 ITSAZNWHBQBBAG-VXGBXAGGSA-N 395.301 3.065 0 1 GGAF CSc1ncc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=N)[nH]1 587842789 GLAHKKMQMGKWTE-ZKANADHPSA-N 397.317 3.310 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(C(=O)O)cc1 587867659 MDBHFZDKIIYNTE-UHFFFAOYSA-N 391.305 3.359 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3cnccn3)c2)N1 587760671 PTGWVPXIYHCLSM-DYZYQPBXSA-N 388.244 3.188 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](S(C)(=O)=O)C2)N1 587850842 SPAGQYQKPJDNBA-SIVJFFJCSA-N 390.318 3.305 0 1 GGAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)n1 587080132 RSVHJGYYXJAMLV-JTQLQIEISA-N 381.889 3.301 0 1 GGAF COC(=O)c1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1OC 587174942 SZJHLMBVDWFCQM-HXUWFJFHSA-N 384.363 3.126 0 1 GGAF O=C(O)c1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586969409 KLTMTBGWLVLVFO-UHFFFAOYSA-N 396.384 3.332 0 1 GGAF CCn1ncc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)c1C 587649239 GIXDZFDHIJJCTC-UHFFFAOYSA-N 381.404 3.211 0 1 GGAF CN(C)CC[C@]1(c2c[nH]c3ccccc23)NC[C@H]2CC(=O)N(C)c3cccc1c32 963022634 HGKVROYAGZATOT-GYCJOSAFSA-N 388.515 3.417 0 1 GGAF C[C@@H]1CN(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)C[C@@H](C)O1 1772640407 YPUOOMBJODHEOW-CHWSQXEVSA-N 375.432 3.356 0 1 GGAF CCN(CCCNC(=O)C[C@@H]1Oc2ccc(C)cc2NC1=O)Cc1ccccc1 5069925 PDUSSOKKNZJREL-NRFANRHFSA-N 395.503 3.113 0 3 GGAF N[C@H](Cc1cc(CP(=O)(O)O)cc(-c2cccc3ccccc23)c1)C(=O)O 13741485 YFASPHLUVUCGGI-LJQANCHMSA-N 385.356 3.139 0 1 GGAF Cc1cccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)c1 13760172 QQFFMRYSIPMXIN-MRXNPFEDSA-N 387.379 3.080 0 1 GGAF CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[C@@H](N3CCC[C@@H]3C)C2)cc1C 169301299 QXHDJHWLJKVICN-UCNVEGJOSA-N 398.551 3.007 0 1 GGAF O=c1nc(C(F)(F)F)ccn1C[C@H]1CN1Cc1cc2ccccc2nc1Cl 169328806 SSSKQXYXMURXBW-ABGKOZRJSA-N 394.784 3.348 0 1 GGAF Cc1nc([C@](C)(NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)C2CC2)no1 207739543 HMZTUFCELKFTQF-OAQYLSRUSA-N 382.464 3.494 0 1 GGAF COc1cccc(-c2cccc(NC(=O)CCc3ccc4c(c3)COB4O)c2)c1 1857606088 YTQQDFIZGSJQPH-UHFFFAOYSA-N 387.244 3.151 0 1 GGAF NC[C@H]1C[C@@H]1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 1857748619 ZKWKKAVOVBLNQA-ODAXIHTASA-N 376.548 3.070 0 1 GGAF O=C(OCN1C(=O)C2=C(CCCC2)S1(=O)=O)c1c(Cl)cccc1Cl 604914 RFSOLAZGDUMYTB-UHFFFAOYSA-N 390.244 3.108 0 1 GGAF COc1cccc(Nc2ncc3nc(CCc4ccccc4)c(=O)n(C)c3n2)c1 4238707 WBAISMGWMKRUJY-UHFFFAOYSA-N 387.443 3.261 0 1 GGAF CC[C@@H](C(=O)N1CCCC1)N1N=C(c2ccccc2)Oc2ccccc2C1=O 20597949 JGSBQLGKSSMNTI-SFHVURJKSA-N 377.444 3.284 0 1 GGAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 26174939 GZTBIVVIIVOAGD-IQDVQEQVSA-N 392.565 3.009 0 1 GGAF CCCNC(=O)OC[C@H]1C[C@H]2CCN1C[C@@H]2c1cc(-c2cccs2)nn1C 43525266 JFRRLYBBVBKSHJ-OAGGEKHMSA-N 388.537 3.463 0 1 GGAF biogenic CC(C)N1C(=O)Cc2ccccc2[C@H]1C(=O)N1CCN(c2ccccc2F)CC1 65169842 SKDHGGSENQMCDC-QFIPXVFZSA-N 395.478 3.009 0 1 GGAF NC12C[C@@H]3C[C@H](C1)CC(NC(=O)c1ccnc4nc(-c5cccs5)[nH]c14)(C3)C2 68249343 DOATZQNEWAOVAB-GWEVUABKSA-N 393.516 3.466 0 1 GGAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CO)CC[C@@H]12 72106574 XZQGRCUXQPMBSR-AJBNAHFZSA-N 393.549 3.296 0 1 GGAF COc1cccc(CCN2C(=O)Cn3nc(-c4ccc(Cl)cc4)cc3C2=O)c1 73240726 UWRDKUYUCOHNJZ-UHFFFAOYSA-N 395.846 3.437 0 1 GGAF CN(C)C(=O)c1cnc(N)c2cc(-c3ccc(N4CCOCC4)cc3)sc12 73390857 VBGSAFBRLRCZEW-UHFFFAOYSA-N 382.489 3.084 0 1 GGAF COc1ccc(Oc2nc(NC[C@H]3CCCO3)nc(N3CCC(C)CC3)n2)cc1 82066759 NBEYUWGWAQUQKF-GOSISDBHSA-N 399.495 3.500 0 1 GGAF C[C@@H]1CNc2c(NCC3CC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 82212235 JFEHQQJITGGMDX-SNVBAGLBSA-N 395.290 3.174 0 1 GGAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccc(F)cc1)CC31CN(C)C1 95796181 CIGZZOYDAWLOJD-HXUWFJFHSA-N 395.478 3.048 0 1 GGAF COc1ccccc1N1CCN(CC[C@@H]2CCc3ccc(N)cc3[C@@H]2O)CC1 103232412 IGSCNTHMJYUKQD-FDDCHVKYSA-N 381.520 3.086 0 1 GGAF Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)o1 110652388 DAACUMHLEGOAHT-OALUTQOASA-N 392.386 3.274 0 1 GGAF COC[C@@H]1C[C@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1 169694749 RUJLVOBTFPKXGV-DLBZAZTESA-N 389.459 3.090 0 1 GGAF CC(C)N(C)c1nc2cc(-c3nn[nH]n3)ccc2nc1-c1ccc2[nH]ncc2c1 201823965 SKEHFJCTWLSKGM-UHFFFAOYSA-N 385.435 3.198 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](CO)c4ccccc4)ncc23)ccn1 205437094 VZNCWYDRVUCASS-SFHVURJKSA-N 388.431 3.183 0 1 GGAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnncc3[nH]2)C[C@@H]2CCCC[C@H]21 586958845 IXKNIMGPCJQPKE-VHSSKADRSA-N 383.477 3.047 0 1 GGAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(CO)cc2[nH]1 587113632 QUUCQGACFQMJKX-GOSISDBHSA-N 377.366 3.474 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(c1nnn(Cc4ccccc4)c1C)[C@@H](C2)C3=O 587435581 GRFXPBYLPWGQCR-HTAPYJJXSA-N 375.428 3.306 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CCCS(=O)(=O)c4ccc(C)cc41)[C@@H](C2)C3=O 587454432 YRXFGEHFHNZMRC-KKSFZXQISA-N 384.453 3.214 0 1 GGAF CS(=O)(=O)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608775 SQZBLEFPZMUOFA-RXVVDRJESA-N 396.420 3.499 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1cccs1)C(=O)O 587612210 KZYKYEZZPXVFGB-OXQOHEQNSA-N 382.393 3.481 0 1 GGAF CCOC(=O)/C(=C/N(C)C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587757283 UGPAHAGWKPUWRH-PCJPBFTKSA-N 385.277 3.172 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3c(c2)OCCO3)N1 587780267 ZPUQXNVJIVNRMV-ABKXIKBNSA-N 379.229 3.378 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792716 CGRCAFVMFSUSOG-DYZYQPBXSA-N 386.261 3.250 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2CCS(=O)(=O)CC2)N1 587847102 WIBGRGZGFZAVHE-QFYYESIMSA-N 390.318 3.162 0 1 GGAF COc1ccc(CCC(=O)c2c(OC)cc(OC(C)=O)cc2OC(C)=O)cc1 685935666 BTXQFWYDPHIGEW-UHFFFAOYSA-N 386.400 3.370 0 1 GGAF biogenic,in-vitro CCOC(=O)CC[C@@]1(CC(=O)OCC)c2c(F)cccc2C[C@@H]2CCCN21 963099515 HYGLMBMCDBKWBZ-HRAATJIYSA-N 377.456 3.338 0 1 GGAF COc1cccc(CNc2ncc3c(n2)N(Cc2ccccc2)CC(=O)N3)c1 1772572405 YLELOJOJMINQCM-UHFFFAOYSA-N 375.432 3.056 0 1 GGAF Cc1cc(C)nc(S(=O)(=O)CC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 1772597555 SKKIYKRZABSSTJ-UHFFFAOYSA-N 397.456 3.298 0 1 GGAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]3O[C@@H](C=C(C)[C@H](O)CC[C@]3(C)O)[C@@H]21 2356789770 DRSMQQRULVTVCP-POJYWYIMSA-N 380.525 3.226 0 1 GGAF Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCC5(CC4)OCCO5)sc3c2c1 4950625 FPYCWJAGILYPCX-UHFFFAOYSA-N 384.457 3.030 0 1 GGAF Cc1nc(CC(=O)NC[C@H]2Cc3cccc(-c4ncccc4C)c3O2)cs1 12167214 XQDPSIUDHISECC-QGZVFWFLSA-N 379.485 3.484 0 1 GGAF CC(C)C(OC(=O)N[C@H](C(=O)C(=O)NCc1cccs1)C(C)C)C(C)C 13559103 GXQKARUHHFKMMD-HNNXBMFYSA-N 382.526 3.365 0 1 GGAF C[C@H](C[C@H](CCc1ccccc1)C(=O)O)C(=O)N1c2ccccc2C[C@H]1C(=O)O 13599938 IBCUEOZCDMUSMM-BPAFIMBUSA-N 395.455 3.389 0 1 GGAF CC(=O)N[C@H](C(=O)O[C@@H]1CCC(C)(C)[C@@H]2CCC3=C(COC3=O)[C@]21C)C(C)C 14683778 NEMKJBVVPNFVCU-RQXXJAGISA-N 391.508 3.149 0 1 GGAF biogenic CCN(CC)C(=O)c1ccc([C@H](c2ccc(OC)cc2)N2CCNCC2)cc1 22939791 BKLZDRDOQQEQOQ-JOCHJYFZSA-N 381.520 3.172 0 1 GGAF CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1c(Cl)cccc1Cl 27902625 UUFIFKXFEAUOJT-UHFFFAOYSA-N 385.228 3.320 0 1 GGAF Nc1cc(O)cc(Cn2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2=O)c1Cl 40617122 GHQNZPLKFNCBGJ-UHFFFAOYSA-N 384.745 3.247 0 1 GGAF COc1cc(OC)cc([C@H]2C3=C(Nc4cc5c(cc42)OCO5)[C@H](C)OC3=O)c1 40849083 SWBHLZQMOYJHKA-XTZNXHDOSA-N 381.384 3.189 0 1 GGAF O=C(Nc1ncc(Br)s1)NS(=O)(=O)c1cccc(Cl)c1 45348530 VRHXEPNJEQXSSS-UHFFFAOYSA-N 396.675 3.069 0 1 GGAF in-vitro COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N[C@@H]2CNC(=O)C2CCCC2)cc1 95667026 XLCGHUGEDADWLP-MQSCRBSSSA-N 394.515 3.085 0 1 GGAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CN(C)C1 95796036 FUHYMNYJCOWAHZ-HXUWFJFHSA-N 395.478 3.048 0 1 GGAF CC(C)CCNc1nccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)n1 96907659 OXXKADUBOZUJBO-UHFFFAOYSA-N 394.527 3.150 0 1 GGAF CN1C=CN(CCN(Cc2ccccc2)S(=O)(=O)c2ccccc2)/C1=C\N=O 148124003 HBEKZZYRKMONPU-SILNSSARSA-N 398.488 3.161 0 1 GGAF O=C(Nc1ccc(C(=O)N2CC[C@@H]3COC[C@H]3C2)cc1)N1Cc2ccccc2C1 166137958 MNOTXRADYLCPIP-WOJBJXKFSA-N 391.471 3.343 0 1 GGAF O=C1C[C@H](C(=O)Nc2cc(-c3cccc(Cl)c3)n(-c3ccccc3)n2)CN1 169706980 YWEOIXHAYQUWMX-AWEZNQCLSA-N 380.835 3.267 0 1 GGAF Nc1cnc(-c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2F)cn1 224792171 AXPACWGWHUTGHP-UHFFFAOYSA-N 384.436 3.072 0 1 GGAF CN(C)C1=N[C@@H](C(=O)c2c[nH]c3ccccc23)[C@@H]2C(=N)c3[nH]c4ccccc4c3N12 238746462 KNAQLJOFDZGSKP-CTNGQTDRSA-N 396.454 3.388 0 1 GGAF CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 586931789 KHHZRJYFUIWFOT-UHFFFAOYSA-N 399.394 3.411 0 1 GGAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587141844 CWKQZMDNRRSOCJ-UHFFFAOYSA-N 377.294 3.174 0 1 GGAF C=CC(=O)Nc1ccc(-c2nc3cc(S(=O)(=O)NCCCC)ccc3[nH]2)cc1 587243298 AZBZZMJXQYWCBQ-UHFFFAOYSA-N 398.488 3.433 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)(F)C(=O)O)cc1)[C@@H](C2)C3=O 587424480 ZAQIFLPBJALNDV-GUYCJALGSA-N 376.311 3.240 0 1 GGAF COc1cc2c3c(c1)OC1(CCN([C@H](C(=O)O)c4ccccc4)CC1)[C@@H](C2)C3=O 587434582 BBBAQEBEZJEVHS-PXNSSMCTSA-N 393.439 3.103 0 1 GGAF COC(=O)[C@H](C)[C@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441828 ITTRNNHZUVUXGB-UZWKXWHHSA-N 382.412 3.156 0 1 GGAF Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N(C)C)n1 587573889 UYVNYBKBXDCGOG-YLJYHZDGSA-N 377.400 3.260 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cn1)OCCO2 587589519 XPGZDWZCMOJLEK-GHTZIAJQSA-N 377.352 3.261 0 1 GGAF O=C(O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1 587657081 SRQDNTVBNFBZIK-UHFFFAOYSA-N 379.322 3.424 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587792730 CPRRMQCJLIBDCY-BMLIUANNSA-N 386.261 3.250 0 1 GGAF CCOC(=O)CC[C@]1([C@H](C)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587798600 PHGMALMSVHDPKN-VGTOOOLASA-N 388.277 3.042 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1[C@H]3C[C@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@H]3[C@H]12 587819891 WWYSVDIYKZGUEL-GPDNKSICSA-N 388.280 3.275 0 1 GGAF COC(=O)[C@@H](N=O)[C@]1(C(C)C)c2ccsc2CCN1Cc1cccn1C 962395416 CWSWBQYKGKACFN-MJGOQNOKSA-N 375.494 3.304 0 1 GGAF COc1ccc(OC)c([C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1 962668800 OURHQHRLJAZKMR-NFBKMPQASA-N 392.455 3.440 0 1 GGAF C[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)NC[C@@H]1CC(=O)N(C)c3cccc2c31 963020307 FMXHZPHCIBXNMQ-ZCCHDVMBSA-N 385.508 3.355 0 1 GGAF CCCCc1cn(-c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)nn1 1857614070 LIXCKQWWQGGAFK-UHFFFAOYSA-N 386.477 3.419 0 1 GGAF CCc1nc2ccc(C(=O)NCc3cccs3)cn2c1N(CC)CCN(C)C 61905558 JLLKDQYATYKKCX-UHFFFAOYSA-N 399.564 3.276 0 3 GGAF COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)cc(Cl)c3O)oc2c1OC 2356687232 JEVQBRQMUAVESR-UHFFFAOYSA-N 394.763 3.256 0 1 GGAF CC[C@@H]1CN(Cc2ccncc2)CC[C@H]1CC(=O)NCc1ccc2c(c1)OCO2 2356815856 CWAWKFHMSMKSMK-UXHICEINSA-N 395.503 3.365 0 1 GGAF COc1ccc(-n2c(C)nnc2N2CCC(Oc3cccc(F)c3C)CC2)cn1 35943082 KZDSDTSFANKUON-UHFFFAOYSA-N 397.454 3.475 0 1 GGAF CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)OC(=O)Nc1ccccc12 40423415 DKRBMKQSQUOOTF-UHFFFAOYSA-N 386.496 3.078 0 1 GGAF COc1cc(OC)cc(Oc2cc(N(CCO)Cc3ccccc3)ncn2)c1 82067332 ATAUSGIPLWCSBF-UHFFFAOYSA-N 381.432 3.285 0 1 GGAF CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(N)=O)co2)cc1 82073000 IVOOYXBCWBXCJN-SFHVURJKSA-N 385.464 3.391 0 1 GGAF O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1OCCN1CCNCC1 224946283 XEYYNKZJQCEAQM-UHFFFAOYSA-N 393.409 3.242 0 1 GGAF CN(CCO)c1ccc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)cc1 147004533 ZSSHHWNMBCTZSS-UHFFFAOYSA-N 399.458 3.445 0 1 GGAF CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 95874430 BBUYQEWTRUJGII-ZRBLBEILSA-N 382.479 3.264 0 1 GGAF COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 95566000 CQFKZCAKNRCPDY-ZDUSSCGKSA-N 379.840 3.166 0 1 GGAF CCOC(=O)[C@@H]1[C@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2C 253636829 VOUOGJPPHPSUFT-QKPAOTATSA-N 399.272 3.421 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(CC[C@@H]1NC(=O)OCc1ccccc1)[C@@H](C2)C3=O 587432936 NPTMNCINVJVVDI-ZJBJCVSYSA-N 379.412 3.270 0 1 GGAF COc1cc(C)nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587657055 RNKOGSVSDSESGC-UHFFFAOYSA-N 380.354 3.438 0 1 GGAF CCOc1n[nH]c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c1Br 586980175 PMFLAYNEASDGHJ-UHFFFAOYSA-N 394.273 3.055 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(F)cc12 587727852 DPZQLZJUCSGJJD-RBHXEPJQSA-N 379.204 3.457 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)NC(C)(C)C)cc1)[C@@H](C2)C3=O 587427231 CQUDZIRZVHVAII-HTAPYJJXSA-N 395.455 3.477 0 1 GGAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1 587258903 AGBGNWPWVRASHG-ZDUSSCGKSA-N 391.834 3.457 0 1 GGAF CC(C)(C)OC(=O)NCCC[C@]1(C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963219371 DWHKBOUJALWROV-AVRDEDQJSA-N 399.491 3.354 0 1 GGAF C[C@H]1C[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)C1 5677565 GBRROKXYVZCGHC-XLAORIBOSA-N 392.565 3.471 0 1 GGAF CN1c2ccccc2C(=O)[C@H](C(=S)Nc2ccc(Cl)cc2)S1(=O)=O 18066647 RZVOLUKUIALKLV-OAHLLOKOSA-N 380.878 3.110 0 1 GGAF COc1ccc(CC(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1 206020394 PCUZUAPUDDUDRL-WMLDXEAASA-N 388.826 3.292 0 3 GGAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2F)cc1 3814697 IEZXKXSCRRMNQK-UHFFFAOYSA-N 385.342 3.345 0 1 GGAF Cc1ccc(C(=O)[C@@H]2[C@@H]3[C@H](C(=O)[C@H]4OC[C@@H]3O4)[C@H]3C=Cc4ccccc4N23)cc1 3947536 WATWLKMHBUEMTE-IUCIRJGOSA-N 387.435 3.019 0 1 GGAF O=c1c(Cc2ccccc2)cc(-c2ccccc2)nn1CCCN1CCOCC1 103219394 ZQKOMTHTMLMRLO-UHFFFAOYSA-N 389.499 3.223 0 1 GGAF CN(Cc1ccccc1)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccccc1 2356298616 OKCHNOVMJSOFRD-YTFSRNRJSA-N 377.532 3.259 0 1 GGAF COc1ccccc1N1CCN(CC[C@H]2CCc3ccc(N)cc3[C@H]2O)CC1 103232417 IGSCNTHMJYUKQD-JPYJTQIMSA-N 381.520 3.086 0 1 GGAF CCN(CC)C(=O)c1[nH]c2c(c1C)C[C@@]1(c3cccc(O)c3)CCN(C)C[C@@H]1C2 26751497 HJJZPUSYYMDGED-MHECFPHRSA-N 395.547 3.499 0 1 GGAF C[C@@]1(C(=O)NCc2ccccc2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61906156 HIJAVMHMELRCDN-QHCPKHFHSA-N 388.423 3.487 0 3 GGAF CC1(C)Oc2ccc(-c3nc4ccccc4[nH]3)cc2[C@H](N2CCCC2=O)[C@@H]1O 27555414 JDTGLNBONJGFPK-PMACEKPBSA-N 377.444 3.425 0 1 GGAF COc1cc(CNC(=O)c2cc(-c3ccc(OC)cc3C)n[nH]2)cc(OC)c1 61906259 AXNBZXLGOOSCSD-UHFFFAOYSA-N 381.432 3.341 0 3 GGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H](C(C)=O)[C@H](O)C[C@@H]32)C1 2356640960 XAKNMTJKMPVPIR-MCBVIPKCSA-N 392.536 3.108 0 1 GGAF CCn1cnc2c(Nc3cccc(OC)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21 28096705 JPRFEHTWEJOGRM-JKSUJKDBSA-N 381.484 3.280 0 1 GGAF COC(=O)[C@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3CC2=CC[C@H]1OC(C)=O 14967243 ZZUKOJLMGSWLOO-PMXSJFBMSA-N 394.471 3.138 0 1 GGAF biogenic CC1(C)C=Cc2c(cc(O)c3c2OC[C@@H](c2cc4c(cc2O)OCO4)C3=O)O1 15122161 RMSBRJLIIWEOOT-LBPRGKRZSA-N 382.368 3.370 0 1 GGAF biogenic Cn1cc(C2=C(c3coc4cc(CO)ccc34)C(=O)NC2=O)c2cc(F)ccc21 40410111 AHIGNMOICQUWNV-UHFFFAOYSA-N 390.370 3.123 0 1 GGAF O=S(=O)(Nc1ccc2nc(-c3ccoc3)nn2c1)c1ccc(F)cc1F 82081753 KOJCZLRYBMFOHN-UHFFFAOYSA-N 376.344 3.068 0 1 GGAF O=C(c1cnc(NC2CCCCC2)nc1-c1ccccc1F)N1CCOCC1 82150641 YAKJMAGBBLXQNN-UHFFFAOYSA-N 384.455 3.500 0 1 GGAF C=CC(=O)Nc1cccc(Oc2nc(Nc3cnn(C)c3)nc3[nH]ccc23)c1 220450850 BMBAFWOVSWBDSJ-UHFFFAOYSA-N 375.392 3.352 0 1 GGAF Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2F)cn1 224728713 KLRVGTXVCFFLLG-UHFFFAOYSA-N 398.463 3.316 0 1 GGAF COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OC(C)=O)c1 96915037 NYTQVHGHYOZIEF-UHFFFAOYSA-N 377.396 3.311 0 1 GGAF CCN(CC)CC(=O)NCc1cn(-c2c(Cl)cc(Cl)cc2Cl)nn1 95552963 POODDOFWWFXKED-UHFFFAOYSA-N 390.702 3.186 0 1 GGAF O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2C[C@@H]3C[C@H]3C2)cc1F 261098776 FWELSPUFIZEVIM-ZIAGYGMSSA-N 393.480 3.350 0 1 GGAF Cc1ccc2nc(C(=O)NCc3ccc(Cl)cc3)nc(NCCN(C)C)c2c1 299871906 ZKXGEAHSWAWINX-UHFFFAOYSA-N 397.910 3.495 0 1 GGAF CCN1C(=O)C[C@@H](c2nc3ccc(C(=O)OC)nc3[nH]2)[C@@H]1c1ccccc1Cl 587061607 OLVBKVKNVOKJAR-PXAZEXFGSA-N 398.850 3.475 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)OC(C)(C)C2)N1 587831279 HUHBQPNEXWILGB-VVVCHXIZSA-N 384.245 3.485 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2nn[nH]n2)cc1 587592259 GDPWKVAIRXYCJP-XLIONFOSSA-N 386.367 3.275 0 1 GGAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cccc(F)c4[nH]3)cccc12 586941070 DCVLJRQRRPZMMY-UHFFFAOYSA-N 398.463 3.400 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2C(CCC(=O)O)(CCC(=O)O)N1 587831195 WMAUEVNDHMKSST-SECBINFHSA-N 388.233 3.047 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CCc2nncn2C1 587863744 SMXQHKUSBAJMFH-LLVKDONJSA-N 391.353 3.072 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)c4ccnn4C)cc1)[C@@H](C2)C3=O 587432447 OTXGBVQJWSNIPI-KKSFZXQISA-N 390.395 3.137 0 1 GGAF O=C1CCc2cc3nc(CNC(=O)c4cccc(C(F)(F)F)c4)[nH]c3cc2N1 587113022 XQYQKZOWUMDXCK-UHFFFAOYSA-N 388.349 3.396 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597251 QJKDGDHIZKRWDK-DYESRHJHSA-N 384.384 3.025 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CC[C@H](N)C(=O)O)(c1ccccc1)CC2=O 587471919 XGOYGQWTEQBFBG-JTSKRJEESA-N 383.444 3.398 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCCN(c2ncccn2)C1 587871732 BWCBMGDVPRXAIK-INIZCTEOSA-N 395.438 3.435 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(OC(F)(F)F)cccc21 587384297 ZTFDERCSFBGREW-QGZVFWFLSA-N 378.306 3.289 0 1 GGAF COC(=O)/C(=C/c1ccccc1)CN1C(=O)[C@@H](OC)[C@H]1c1ccc(Cl)cc1 1772576306 HSUVNHIVPZEOLU-VTEWUSFYSA-N 385.847 3.495 0 1 GGAF CN1C(O)=C(C(=O)Nc2ccccc2)c2c(ccc3ccccc23)S1(=O)=O 13605560 WGLJFJDIGGQQCF-UHFFFAOYSA-N 380.425 3.339 0 1 GGAF O=C(Nc1cc(-c2ccncc2)nn1-c1ccc(F)cc1)c1cnn2cccnc12 204745714 SHHGVRUFCYYCKR-UHFFFAOYSA-N 399.389 3.368 0 1 GGAF COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)C)cc4c3)n2)c1 208671907 QQZKINCXTJPLSR-UHFFFAOYSA-N 388.431 3.474 0 1 GGAF Cn1nccc1-c1ccc(C(=O)N[C@H]2CNCC[C@@H]2c2cccc(F)c2)c(F)c1 1857550603 NJKBGNKUMUYCIB-XLIONFOSSA-N 396.441 3.241 0 1 GGAF Cc1ccc2c(c1)cc([C@H]1CC(c3cccs3)=NN1C(N)=S)c1nnnn12 1857578238 XUGPXNKFWBAPDL-OAHLLOKOSA-N 393.501 3.042 0 1 GGAF CN(C(=O)C1CCN(c2cncnc2-c2ccc(F)cc2)CC1)C1CCOCC1 1857581580 WPZYQYZOBXAURV-UHFFFAOYSA-N 398.482 3.137 0 1 GGAF O=C(CN1CCC(Cc2ccccc2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 7443090 GJLZYXGTQUWWHY-XMMPIXPASA-N 391.559 3.332 0 1 GGAF CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)nc3sc(C)c(C)c23)cc1 2622155 LKDWYUSIGMJLNI-UHFFFAOYSA-N 390.490 3.376 0 3 GGAF CC(C)[C@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(NC(=S)NCc3ccccc3)C(=O)[C@@H]12 101880526 AMYFASUDBOAVHW-YAKVFXAGSA-N 397.544 3.179 0 1 GGAF O=C1C[C@]2(O)c3ccccc3O[C@@H]3c4cc(O)ccc4-c4c(O)cc(O)c1c4[C@H]32 2356375436 CJDAIJHZTKDLTJ-ZLNRFVROSA-N 388.375 3.475 0 1 GGAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@]2(O)CCC[C@H](C)[C@]12C 2356429901 AHVYGDRGQJFXOT-PVYXRYPPSA-N 378.465 3.042 0 1 GGAF CCOC(=O)[C@H](NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21)[C@H](C)CC 58528223 PQEMQMZAKUUASG-OXFYSEKESA-N 396.487 3.300 0 1 GGAF CCCC[C@@H](OC)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 29486985 CTHDNCFMWDFCSN-JHWZRRELSA-N 384.513 3.100 0 1 GGAF COc1ccc(OC)c2c1C[C@H](O)[C@@H](NCCCc1c[nH]c3ccccc13)C2 27712378 ILNNMDNAAMPVRM-SFTDATJTSA-N 380.488 3.236 0 1 GGAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OC2CCCC2)nc1 28569798 GKXDJTFCERWGDN-UHFFFAOYSA-N 375.372 3.011 0 1 GGAF CCN(CC)C(=O)[C@H]1CCC[C@@H](NCc2cccc(Cl)c2)CN(C)C(=O)C1 2356501943 RPXSDABJXLBYAE-PKOBYXMFSA-N 393.959 3.315 0 1 GGAF CCOC(=O)c1c(O)cc(C)cc1Oc1c(OC)cc(O)cc1C(=O)OC 605691 JIPGWTAQJPIOCX-UHFFFAOYSA-N 376.361 3.170 0 1 GGAF biogenic NC(=O)c1cccc(NC(=O)N2CCC(n3ncc4c(F)cccc43)CC2)c1 218631011 FAUIJXRMMDMUJD-UHFFFAOYSA-N 381.411 3.143 0 1 GGAF CCC(CC)n1cc2c3c(cccc31)[C@H]1C[C@H](C(=O)OCCO)CN(C)[C@@H]1C2 40812819 ZKBHIGHGJUAMPK-LDQXTDLNSA-N 384.520 3.498 0 1 GGAF CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C/c2cccc(C(F)(F)F)c2)C(=O)O1 45495704 MRIHOUDOOGJIRL-JBMKGCFVSA-N 386.366 3.356 0 1 GGAF CC[C@@H](C)[C@@H](C(=O)OC)N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2C1(C)C 40918558 SHUVEFFGZDLOEF-VMDGZTHMSA-N 383.492 3.061 0 1 GGAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C1 82152266 JVBOXWQEHAPXIZ-HZPDHXFCSA-N 398.482 3.237 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)c4cnc5[nH]ccc5c4)ccc31)[C@H]1CC[C@@H](C2)N1 96175231 WWFDFCIJUZBZKD-SUMWQHHRSA-N 392.484 3.237 0 1 GGAF O=C(C1CCCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCOCC1 95894257 RWAKGGOIRNSNSM-VJBWXMMDSA-N 398.547 3.169 0 1 GGAF C/C=C(/C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2[C@H](OCC)CC(=O)[C@]21C 238768350 SJXBIMRKMGDJJN-ODSBNMGCSA-N 392.492 3.082 0 1 GGAF Cc1cc(S(=O)(=O)c2ccc(N)cc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 96175192 DMYYRYKPLPEGAQ-KBXCAEBGSA-N 381.501 3.251 0 1 GGAF FC(F)(F)c1cccc(N2CCN(CCOc3ccc4nn[nH]c4c3)CC2)c1 98083181 PYXZYTIHZLUFQM-UHFFFAOYSA-N 391.397 3.178 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1c(C(=O)O)[nH]c4ccc(OC)cc14)[C@@H](C2)C3=O 587437579 HHVDITKFMAQGPB-RBZFPXEDSA-N 379.368 3.372 0 1 GGAF CCOC(=O)c1nn(C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587762764 FXNXBQFRAWEXFI-RFAUZJTJSA-N 396.260 3.122 0 1 GGAF CCOC(=O)[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587767254 AGSBUPXSBOMJMT-ADLMAVQZSA-N 393.256 3.324 0 1 GGAF CCC(=O)[C@@H]1C(=O)OC(C)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587834721 SCAXRFDLBBLFPK-TUUMUUDISA-N 396.256 3.374 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C1)[C@@H](C2)C3=O 587444217 NVYIIRXYPGPIGY-NAYXTTFHSA-N 385.460 3.458 0 1 GGAF Cc1c(Br)cnc2[nH]c(CNC(=O)[C@H](C)Oc3ccccc3)nc12 587224535 JTVMXFRRSSHDJF-NSHDSACASA-N 389.253 3.113 0 1 GGAF Fc1cccc2c1[C@H](c1cnc(I)nc1)N1CCC[C@@H]1C2 963096161 CSIMNLYSVOQPBK-DOMZBBRYSA-N 395.219 3.330 0 1 GGAF COC[C@@]12C[C@@H](CC1=O)[C@@H]1[C@@H]2ON2c3ccccc3C(=O)[C@@]12c1ccccc1 17218606 FLDNSLQVGNOXOV-RMBUZKDDSA-N 375.424 3.140 0 1 GGAF C[C@@H](C(=O)Nc1cc(Cl)ccn1)N(c1ccccc1Cl)S(C)(=O)=O 169341658 QDHRWZCSOMUESB-JTQLQIEISA-N 388.276 3.182 0 1 GGAF Cc1cc(C(=O)N[C@@H]2CCCOC2)n(Cc2csc(N3CCCCC3)n2)c1 1857615845 PURCENBDLMFFPC-MRXNPFEDSA-N 388.537 3.200 0 1 GGAF Cc1csc(N(C)C(=O)CSc2nnc(COc3ccccc3C)o2)n1 1350562 HSVQUXZFOORKNV-UHFFFAOYSA-N 390.490 3.477 0 3 GGAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1cccnc1 3931476 JWNBMKLACCJEGG-INIZCTEOSA-N 376.522 3.270 0 1 GGAF Cc1ccc(C)c(-n2nc(C(=O)N[C@@H](CC(=O)O)c3ccc(F)cc3)cc2O)c1 101564300 AAQDJLQMCSEXSD-INIZCTEOSA-N 397.406 3.280 0 1 GGAF CCc1ccc([C@H]2C[C@@H]3CC[C@H](N3)[C@@H]2C(=O)OC)cc1I 100799466 BSMPOYNWUIFFDN-LQKXBSAESA-N 399.272 3.251 0 1 GGAF CN1C(=O)[C@@H](NC(=O)c2ccsc2)N=C(c2ccccc2F)c2ccccc21 26296829 GVMDQRHNMCFHAX-LJQANCHMSA-N 393.443 3.457 0 1 GGAF COc1ccc(NC(=O)[C@@H]2Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1 61905501 ARPGCALCXYLIFC-FQEVSTJZSA-N 390.395 3.428 0 3 GGAF COc1cc(O)ccc1C(=O)C[C@H]1c2ccc(O)c(OC)c2C[C@H]1C(C)(C)O 2356627444 JFKSSNYNQWSGSN-DOTOQJQBSA-N 386.444 3.415 0 1 GGAF CC(C)c1c(Cc2ccc(F)cc2)n(COCc2ccccc2)c(=O)n(O)c1=O 66101171 MCCBYLCFYIOQSC-UHFFFAOYSA-N 398.434 3.275 0 1 GGAF CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@@H](C)C(=O)OC)c1 28455362 XWOMGXIUBCJCCF-ZDUSSCGKSA-N 399.443 3.028 0 1 GGAF 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C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CN(C)N[C@H]2C(F)(F)F)N1 587723279 WKHUHVLIXMEVLC-LSYYBOQUSA-N 396.226 3.161 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(O)cc2)(C(=O)O)N1 587831827 IHMUEYUXJZUUAY-MLCYQJTMSA-N 394.240 3.351 0 1 GGAF O=C(NC(=O)c1c(O)cccc1O)N[C@H]1c2ccccc2-c2cccc(F)c21 653785015 UFQCHCFDGLYJMK-IBGZPJMESA-N 378.359 3.446 0 1 GGAF COc1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1772582207 VDKQOZLHZBADEK-UHFFFAOYSA-N 391.489 3.456 0 1 GGAF CC(=O)O[C@@H]1[C@H](O)[C@@H]2[C@H](C)c3ccoc3C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@]12O 2356614006 DVJYNSFOWSNODP-JQADFOCYSA-N 376.493 3.425 0 1 GGAF Cc1ccc(C(=O)c2c3ccc(C(F)(F)F)cc3[n+]([O-])n2CCCN)cc1 36383475 BBAXTMVXSLVGQS-UHFFFAOYSA-N 377.366 3.182 0 3 GGAF COc1ccc(-c2noc(N3CCC[C@@H](C(=O)N4CCCCCC4)C3)n2)cc1 6738661 JAWQAUVBNRXPBD-QGZVFWFLSA-N 384.480 3.364 0 1 GGAF COC(=O)CN1C(=O)C2(CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21 28528489 OPEWYHQKYXJQHX-UHFFFAOYSA-N 398.890 3.393 0 1 GGAF CC=CC=CC=CC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@]2(C)CCCC(C)(C)[C@H]12 2356398561 VYUGROORELIDOB-MBWHEUGSSA-N 390.520 3.075 0 1 GGAF O=C(COc1ccccc1Cl)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 66123763 HACJBMXJXATPQX-UHFFFAOYSA-N 387.779 3.179 0 1 GGAF COc1ccc(N2NC3=CC[C@@H](OC)O[C@@]3(c3ccccc3)CCC2=O)cc1 64491774 CGJVTEILZDCDOW-FCHUYYIVSA-N 380.444 3.499 0 1 GGAF COC(=O)[C@H](O)[C@H](C(=O)Cc1ccc(O)c(CC=C(C)C)c1)c1ccc(O)cc1 2356797598 ODOBJYBFLKOXFR-FCHUYYIVSA-N 398.455 3.036 0 1 GGAF COC(=O)C[C@H]1c2ccccc2N=C(N2CCN(C)CC2)N1c1ccccc1 26998044 RVUNLJDKHJPFTR-FQEVSTJZSA-N 378.476 3.046 0 1 GGAF CC1(C)CCN(c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1 139794060 XHEDRPYQMYAOFX-UHFFFAOYSA-N 390.491 3.219 0 1 GGAF COCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc(C)c1 82147255 MQDYIDDQSPVVKO-CALCHBBNSA-N 382.508 3.311 0 1 GGAF O=C1[C@@H]2Cc3ccccc3N2C(=O)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1 87723009 RQBRITDEFQQRGE-AWEZNQCLSA-N 397.239 3.076 0 1 GGAF CC[C@H]1C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O1 83923599 VLXJANUFVJNWKB-KWFNJSMASA-N 382.497 3.401 0 1 GGAF in-vitro CC(=O)N1CCN([C@H](C(=O)Nc2c(C)cccc2C)c2cccc(F)c2)CC1 199245717 APLBURHTBAHNHK-NRFANRHFSA-N 383.467 3.286 0 3 GGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](Cc4ccccc4)C[C@H]4[C@@H](C2)N(C)CC[C@@]314 195196370 JKQIXBQTODIBRA-QCWVNVONSA-N 389.495 3.402 0 1 GGAF CN1C(=O)CC[C@@H]1COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144843685 SHASPRRXWFWZEL-CWTRNNRKSA-N 377.362 3.465 0 1 GGAF COc1cccc2c1N(C(C)=O)C13CCC4(CC1)[C@H](OC)CCN1CC[C@]23[C@@H]14 238765733 XEEOVAZKEUVSCZ-QNCXXQMESA-N 382.504 3.105 0 1 GGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N[C@@H]2CN(CC(C)C)C(=O)c2ccccn2)cc1 95895852 OBKJPIVUKOQMKX-WJZBITPESA-N 393.531 3.329 0 1 GGAF C/C=C(/C)C(=O)O[C@H]1CC[C@@](C)([C@H]2CCC(C)=C[C@@H]2O)O[C@@]1(C)COC(C)=O 238783389 XMZLIYKXYUUFPG-GPQWOFJPSA-N 394.508 3.473 0 1 GGAF CCS(=O)(=O)c1ccc2[nH]c(N3CCO[C@@H](c4ccc(F)cc4)C3)nc2c1 95575598 MGWUAVNRNAHPHM-GOSISDBHSA-N 389.452 3.074 0 1 GGAF COc1ccc(NC(=O)Nc2c(C)n(O)c3ccc(Cl)cc3[n+]2=O)cc1 377819894 WVMWHCVXFFSGOF-UHFFFAOYSA-O 375.792 3.408 0 1 GGAF Cc1c[nH]c2ncnc(N3CCN(C(=O)N[C@H](C)c4ccccc4)[C@@H](C)C3)c12 299837066 OGBRRCBVEXWMQF-JKSUJKDBSA-N 378.480 3.248 0 1 GGAF CC(C)C(=O)NCc1ccc(Cl)c(-c2nc(O)c3ccc(C(N)=O)cc3n2)c1 299836658 OGAGSMVPJXTSDC-UHFFFAOYSA-N 398.850 3.027 0 1 GGAF COC(=O)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587147666 AOWXWFXOFMAUGU-CYBMUJFWSA-N 385.370 3.144 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ncccn3)CC2)N1 587768765 MLMSYXRCGXVHAH-GFCCVEGCSA-N 391.288 3.408 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(O)cc2C(=O)c2ccc(O)cc21 587404156 OJPSNVFUTIFJNW-QHCPKHFHSA-N 387.391 3.442 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(O)cc2)N1 587832928 LHFLRCDHMNYKQI-XLFHBGCDSA-N 380.213 3.156 0 1 GGAF Cc1nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc(O)c1C 587656698 LABQJCWKPACNDI-UHFFFAOYSA-N 380.354 3.443 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1cccs1)C(=O)O 587612209 KZYKYEZZPXVFGB-OXJNMPFZSA-N 382.393 3.481 0 1 GGAF Cc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1Cl 586941865 CSRUOJUTMOEBKZ-UHFFFAOYSA-N 385.276 3.094 0 1 GGAF CCS(=O)(=O)c1cccc(Cc2nc3c(F)cnc(Br)c3[nH]2)c1 586922346 LQMFPNOSXJYEQG-UHFFFAOYSA-N 398.257 3.244 0 1 GGAF COC(=O)c1cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cn1 587222986 MZMGFLVAHYXQCU-IBGZPJMESA-N 386.411 3.264 0 1 GGAF Clc1c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)ccnc1Br 587006305 DKDFDMLJDQHEDC-UHFFFAOYSA-N 376.605 3.017 0 1 GGAF CCOc1ccccc1[C@](N)(c1nc2ccc([C@@H](N)N=O)cc2[nH]1)C(F)(F)F 587093882 ZEOGGKJCKATSCP-RDJZCZTQSA-N 393.369 3.450 0 1 GGAF COC(=O)[C@@H]1CCCc2ccccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587444792 UYAPUMDUORKQRB-YZZKKUAISA-N 378.424 3.464 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc3c(c1)OCCCO3)O2 587415257 YYLRREMSTWZJGU-JOCHJYFZSA-N 397.427 3.464 0 1 GGAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2n[nH]cc2Cl)N1 963179093 PHJKILQLJILZSA-GHMZBOCLSA-N 380.153 3.424 0 1 GGAF CC[C@@H](NC(=O)OC(C)(C)C)[C@@]1(c2ccccc2)c2c(cnn2C)CCN1C 963954410 JKNTYKHLVXCYKY-GCJKJVERSA-N 384.524 3.455 0 1 GGAF Brc1ccc2c(c1)[C@](c1ccccn1)([C@H]1CCNC1)NC1(CC1)C2 961610973 CIERHYWFBFTDHQ-YWZLYKJASA-N 384.321 3.376 0 1 GGAF COc1ccc(-c2cc3c(=N[C@H](CC(N)=O)c4ccccc4)nc[nH]c3o2)cc1 1772655934 XWRRGLKSBBKFNB-GOSISDBHSA-N 388.427 3.349 0 1 GGAF CCOC(=O)c1cnc2c(cnn2/C=C/c2ccccc2)c1N1CCOCC1 13491864 FFOJBGMLEOWOKO-CMDGGOBGSA-N 378.432 3.073 0 1 GGAF CC(C)(O)c1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651116 DNYKCSYMHTYXRV-IBGZPJMESA-N 376.456 3.412 0 1 GGAF Cn1cc(-c2n[nH]c3cc(NC(=O)NCc4ccc(F)c(Cl)c4)ncc23)cn1 205450654 DBJCOYVPAFHCHK-UHFFFAOYSA-N 399.817 3.473 0 1 GGAF O=S1(=O)c2ccccc2CN1C[C@@H](O)Cn1c2ccccc2c2ccccc21 148545417 SJBUXTRTPSOWNK-QGZVFWFLSA-N 392.480 3.360 0 1 GGAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4cc(OC)c5c(c4)OCO5)OC[C@H]23)ccc1O 14641320 DWGKMGKTDBRQJE-WZBLMQSHSA-N 386.400 3.213 0 1 GGAF biogenic COc1cc2c(cc1OC)C(=O)[C@H]([C@H](O)c1cc[n+](Cc3ccccc3)cc1)C2 26575885 SQTQNYMNESABEP-NZQKXSOJSA-N 390.459 3.128 0 1 GGAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1C1=CC=CN(C(=O)OC)C1 27723297 YCUYFOQAMDYRCV-PQMNFKMDSA-N 390.436 3.242 0 1 GGAF O=C(NCC1CCCCC1)[C@H](NC(=O)n1nnc2ccccc21)c1ccccc1 28112572 UGCZXOFWCZIOAA-HXUWFJFHSA-N 391.475 3.427 0 1 GGAF Cc1oc(-c2ccccc2)nc1COc1ccc(C[C@H]2OC(=O)NC2=O)cc1 29321482 NIQPGPNDCMMIGG-GOSISDBHSA-N 378.384 3.407 0 1 GGAF COc1ccc2c3c1O[C@H]1C(=O)C[C@H](c4ccccc4)[C@@H]4[C@@H](C2)N(C)CC[C@@]341 29466026 QXZJMGDZMLKVKQ-LQOZDVDRSA-N 375.468 3.327 0 1 GGAF CC[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@@H]1CC(=O)N[C@H](CO)CC(C)C 36368010 KJTADFQBHYXEKD-POAQFYNOSA-N 392.515 3.227 0 1 GGAF biogenic COc1ccc(C(=O)c2c(C)n(CCN3CCN(C)CC3)c3ccccc23)cc1 38896824 DJSJAEVNIBTYGR-UHFFFAOYSA-N 391.515 3.437 0 1 GGAF CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](C(C)C)N2 82206621 BSCFSBZEVGYMBI-QGZVFWFLSA-N 388.487 3.106 0 1 GGAF Cc1nc2sccn2c1C(=O)NN1C(=O)[C@@H](C)SC12CCC(C)CC2 95562260 AVRCEBPKTNTHMR-JKIHBJTHSA-N 378.523 3.219 0 1 GGAF Cc1cc(O)n2s/c(=N\C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)nc2n1 103198067 VEDFROIEGBQNOP-UXPDKRSESA-N 376.869 3.325 0 1 GGAF C[C@H](Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1)C(N)=O 114592945 CHQARSTYMWRYDH-LBPRGKRZSA-N 394.406 3.065 0 1 GGAF CC(C)n1cc(-c2cc(-c3ccc(CCN4CCOCC4)cc3)cnc2N)nn1 142774603 FTFHXZBJQVVCKS-UHFFFAOYSA-N 392.507 3.045 0 1 GGAF Cc1nn(-c2ccccc2)c2nc(-c3ccc(N4CCNCC4)cc3)cc(CO)c12 147362330 YLPHPYMVPIGXNG-UHFFFAOYSA-N 399.498 3.298 0 1 GGAF COc1cccc2oc(-c3cnc4ccc(OCCC[S@](C)=O)nn34)cc12 206469604 DTLCVMCGNBLCPO-MHZLTWQESA-N 385.445 3.299 0 1 GGAF CCCCn1cc(C2=C(c3nnc4ccccn34)C(=O)NC2=O)c2ccccc21 299857962 PDEMGOQKRKZNLG-UHFFFAOYSA-N 385.427 3.051 0 1 GGAF CCCCc1cc(=O)oc2cc(OCc3nc4c(O)nc(S)nc4[nH]3)ccc12 586918044 HNBMNUUYTYIICB-UHFFFAOYSA-N 398.444 3.375 0 1 GGAF Oc1ncnc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc12 586999955 GNNUWDMFFNGXPY-UHFFFAOYSA-N 397.236 3.495 0 1 GGAF CC[C@H](c1nc2cc(C)cnc2[nH]1)n1cc(I)c(C)n1 587184271 HMQAYXZSRZQJOD-GFCCVEGCSA-N 381.221 3.375 0 1 GGAF COC(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1OC 587217710 YLENUHQNZWNMTG-QGZVFWFLSA-N 381.432 3.086 0 1 GGAF CC[C@@]1(c2ccc(OCC(=O)O)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439133 JONZQRUNBZDUMC-QRQCRPRQSA-N 398.411 3.220 0 1 GGAF CC(=O)N1CCC[C@@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1 587660253 DNMKBIWTJFSRFZ-MRXNPFEDSA-N 393.418 3.101 0 1 GGAF CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)OC)c(=O)c3ccccc23)c(O)c1 587667617 QTGLPVWRJTWZBH-AWEZNQCLSA-N 395.459 3.290 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](O)c3cccc(N)c32)N1 587746274 LVJVIAHXSHWRGH-DKWSPXAGSA-N 377.257 3.385 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(N)=O)cc2)N1 587746906 IVCUUPCGOLIAAQ-YPMLDQLKSA-N 393.256 3.076 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CN(C)CC[C@@]2(C)O)N1 587763145 XCXDEMDIFBPCGI-INXYXQHBSA-N 385.321 3.040 0 1 GGAF CCOC(=O)[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587773065 HUNDAHPSYXEDNU-VOJFVSQTSA-N 393.256 3.324 0 1 GGAF CCNC(=O)Nc1cn(-c2ncc(OC)cn2)c2cc(-c3cccnc3)cnc12 653764480 WTCOWCVHNYKOQH-UHFFFAOYSA-N 389.419 3.028 0 1 GGAF CCOC(=O)[C@@]1(c2ccsc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962761943 IJFJAMBWGIBAQK-YOEHRIQHSA-N 383.391 3.201 0 1 GGAF CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12NCCc1c2c(C(C)C)nn1C 962925264 YLOWMCRWWGMTLA-SZNDQCEHSA-N 390.528 3.078 0 1 GGAF Cc1c(O)ccc2c1[C@@H](c1ccc(-c3ccc(Cl)nn3)cc1)N[C@H](C(=O)O)C2 963490602 LCSCBOROPFBYQA-OXJNMPFZSA-N 395.846 3.499 0 1 GGAF CN1c2ccc(F)cc2-c2ccnc3[nH]c(C4=CCNCC4)c(c23)[C@@H]1C(=O)O 1772606149 SJKLLCWLZBUZDK-LJQANCHMSA-N 378.407 3.321 0 1 GGAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(C4CC4)n3)C2)cc1 1772633379 WIJQGQOGWPARPT-DNVCBOLYSA-N 380.492 3.251 0 1 GGAF FC(F)(F)c1ccnc(N2CCC(NC(=S)Nc3cccnc3)CC2)c1 1857592007 SUYVFHMVHSENBW-UHFFFAOYSA-N 381.427 3.451 0 1 GGAF CC(=O)Nc1ccc(CNC[C@@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)cc1 2356731767 YJNSKGBMCXYUBD-HXUWFJFHSA-N 394.450 3.336 0 1 GGAF CCc1nn([C@@H](C)C(=O)N[C@@H](C)CCc2ccco2)c(=O)c2cc3occc3n12 4034856 QBDMSRDFZMFARG-KBPBESRZSA-N 396.447 3.096 0 3 GGAF COCCNC(=O)c1onc(CSc2ccc(C(C)C)cc2)c1C(=O)O 8672437 IGVNXVFDZCWONZ-UHFFFAOYSA-N 378.450 3.165 0 3 GGAF COC(=O)c1ccc(CSc2nc3n(-c4ccc(C)cc4)[nH]cc-3c(=O)n2)o1 103693893 NNMLMWGLIJPMRQ-UHFFFAOYSA-N 396.428 3.041 0 3 GGAF C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 263590610 BMSROUVLRAQRBY-DWMHZKAUSA-N 394.596 3.356 0 3 GGAF C[C@@]12C(=O)NCC(=O)N1C[C@H](c1ccccc1Cl)c1c2[nH]c2ccccc12 2161182 BGUNXXDBZWTCMZ-SPLOXXLWSA-N 379.847 3.140 0 1 GGAF biogenic COCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1c(OC)ccc2ccccc12 2683818 GOKARQJUBRGLRE-LJQANCHMSA-N 384.432 3.008 0 1 GGAF CCOC(=O)CCCN1C(=O)CCn2nc(-c3cn(C)c4ccccc34)cc21 8610310 VMBCVWAAESVTEN-UHFFFAOYSA-N 380.448 3.122 0 1 GGAF C[S@](=O)c1[nH]c2cc(Br)cc(Br)c2c1[S@](C)=O 13449774 AWVBMHXHQPJBDF-IAGOWNOFSA-N 399.129 3.168 0 1 GGAF biogenic CCOC(=O)c1cc2c3cc(-n4ccc(C=O)c4)c(Cl)cc3nc(O)n2n1 13472585 UCGBZKPRROONQH-UHFFFAOYSA-N 384.779 3.021 0 1 GGAF NC(=O)CCC/C=C1/C[C@@H]2[C@@H](/C=C/[C@@H](O)C3Cc4ccccc4C3)[C@H](O)C[C@H]2C1 26158872 XMDZQTWKEARRJU-GUEYOPQQSA-N 395.543 3.308 0 1 GGAF CCC1(CC)C(=O)N(C(=O)NCc2ccco2)[C@@H]1Oc1ccc(C(=O)O)cc1 27208807 UOHLGCHEMKNMCR-GOSISDBHSA-N 386.404 3.241 0 1 GGAF COc1cc(C(=O)N2CCC(n3c(=O)[nH]c4c(C)cccc43)CC2)ccc1C 28955435 QHWZHMQIWWDVJM-UHFFFAOYSA-N 379.460 3.432 0 1 GGAF O=S(=O)(N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1)C(F)(F)F 40404558 VXAFVYYBYDYSHN-INIZCTEOSA-N 384.423 3.367 0 1 GGAF COc1cccc(NC(=O)CCc2nc(Cc3ccc(NC(C)=O)cc3)no2)c1 40916286 LRTZFPUDQUMXIH-UHFFFAOYSA-N 394.431 3.199 0 1 GGAF CN1CCN([C@H]2Cc3ccccc3Sc3ccc(-c4ncn(C)n4)cc32)CC1 64540604 VKHDCWQCGOAHKV-IBGZPJMESA-N 391.544 3.478 0 1 GGAF c1ccc(-c2nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)co2)cc1 72102822 WGQBAQVXIJMNGI-UHFFFAOYSA-N 377.444 3.388 0 1 GGAF CC(C)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@@H](C)N2 82206944 CGQHLYCBMNXQGX-OAHLLOKOSA-N 378.476 3.093 0 1 GGAF Cn1cc(-c2ccc(CN3C(=O)C4(CCNCC4)c4ccccc43)c(F)c2)cn1 95588981 XPXICPXHKWGNRT-UHFFFAOYSA-N 390.462 3.394 0 1 GGAF CCC[C@@H](CC(=O)O)n1c(=O)n(Cc2cccc3c2CC(=O)N3)c2ccccc21 96270247 IISHZWLYDWPZIZ-HNNXBMFYSA-N 393.443 3.162 0 1 GGAF COCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 169687595 BTQHUBANESWOGV-PMACEKPBSA-N 379.456 3.408 0 1 GGAF O=Cc1cc(-c2ccc(C(=O)N3CCOCC3)cc2)cc(C(F)(F)F)c1O 169699650 CDBUGAFLPVBCHW-UHFFFAOYSA-N 379.334 3.363 0 1 GGAF CCc1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1 205262635 KYSWBHUVFFVWAE-UHFFFAOYSA-N 385.475 3.054 0 1 GGAF CCC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(N(C)CC)n3)C2)cc1 261121918 JQVQQVBCAOTAHY-LPHOPBHVSA-N 397.523 3.178 0 1 GGAF CS(=O)(=O)c1cccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 586926907 QNJYPQOTTYMEPC-UHFFFAOYSA-N 386.658 3.444 0 1 GGAF Cc1cc(Br)cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc12 586931836 LUGAODVIFUMWSU-UHFFFAOYSA-N 384.255 3.144 0 1 GGAF N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Cl)ncc2[nH]1 587183693 GWHWUAVDQMSCLS-JTQLQIEISA-N 398.635 3.458 0 1 GGAF COc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)c2cc(C(=O)O)oc12 962900599 JAVFFTDPXCMMAC-BTYIYWSLSA-N 399.374 3.141 0 1 GGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc(F)ccc1N1CCOCC1 963605678 GYTOJVOKIYOFOF-RCDICMHDSA-N 386.467 3.303 0 1 GGAF Cc1c(Cl)c2nncn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 1857573986 DHGPUZFWACZSFU-UHFFFAOYSA-N 397.891 3.385 0 1 GGAF Cn1cc(-c2ccc(C(=O)N[C@@H]3CNCC[C@H]3c3ccc(Cl)cc3)o2)cn1 1857587173 SEOBQUCBUXUNHF-DLBZAZTESA-N 384.867 3.209 0 1 GGAF Cc1nc2c(c(Oc3ccc(-c4c(C)c(O)nc(=O)n4C)c(C)c3)n1)CCC2 1857606911 TYSYVCSUIHXYHZ-UHFFFAOYSA-N 378.432 3.149 0 1 GGAF CC[C@@H]1C(O)=C2CC[C@@]3(C)C[C@H](C)[C@@H](O3)[C@@H](O)C[C@@H](C)C(=O)C[C@H]1OC2=O 2356715424 WHJYUMSXIZMUHM-CHEWVUTESA-N 380.481 3.074 0 1 GGAF C1=CC(c2noc([C@@H]3CCCN3Cc3ccccc3)n2)=C[C](N2CCCC2)N1 2356856452 NJPWZBKHCYFDFX-IBGZPJMESA-N 376.484 3.492 0 1 GGAF CC(=O)c1ccc(OCC(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)cc1 12443017 OKSBWMQNSLJDPU-IBGZPJMESA-N 384.451 3.188 0 3 GGAF Cc1c(C(=O)OCc2ccccc2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 1663181 ZXLOPXPYTFWLLF-UHFFFAOYSA-N 379.199 3.079 0 1 GGAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4055664 NCEBJRKNCXEJCS-VUHPKUFZSA-N 388.851 3.445 0 1 GGAF Cc1ccc(N2C(=S)N[C@H]3c4ccccc4O[C@]2(C)[C@@H]3C(=O)N(C)C)cc1 4598597 SOFOHNSSJHEKBZ-BBTUJRGHSA-N 381.501 3.244 0 1 GGAF O=C(c1ccncc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 101637768 RNFZVILVJUYLPY-MUJYYYPQSA-N 377.473 3.030 0 1 GGAF COc1ccc(CC(=O)N2CC[C@@H]3COC(=O)N3c3cc(C)ccc3C2)cc1 2356290707 ZUXZQKUHTOPWDV-GOSISDBHSA-N 380.444 3.304 0 1 GGAF COc1cc(-c2nnc([S@@](=O)Cc3cccc(F)c3)o2)cc(OC)c1OC 29123259 FYIFHCXDDFVTMC-HHHXNRCGSA-N 392.408 3.209 0 1 GGAF COc1ccc(C(=O)c2c(C)n(C[C@H]3CN(C)CCN3C)c3ccccc23)cc1 26280070 NRVXQBOCXORNKW-LJQANCHMSA-N 391.515 3.435 0 1 GGAF C[C@](O)(C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl)C(F)(F)F 26383117 WNNHGPUJFGHEIJ-HNNXBMFYSA-N 378.778 3.218 0 1 GGAF CC[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)[C@@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@]12C 2356770455 SCCGQICCMKBLST-QWZJLODNSA-N 392.536 3.108 0 1 GGAF CC(C)(C(=O)N1CC[C@]1(C)C(=O)NC1Cc2ccccc2C1)c1ccccc1 61907458 ZEBABQXGNSCWDJ-XMMPIXPASA-N 376.500 3.239 0 3 GGAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NCc2ccco2)O3)cc1 61904050 MQZNSEPSAILRTM-QFIPXVFZSA-N 391.427 3.310 0 3 GGAF C[C@](N)(CO)C(=O)Nc1ccc(OCCc2ccc(-c3ccoc3)cc2)cc1 35931674 IYZXYDUQDTYDQY-QFIPXVFZSA-N 380.444 3.216 0 1 GGAF CN1CCCN(CCCCNC(=O)c2ccccc2)C(=O)C[C@@H]1c1ccccc1 15147696 UXNVPQWNJBVNCO-JOCHJYFZSA-N 393.531 3.492 0 1 GGAF biogenic CC(C)c1ccc(S(=O)(=O)c2n[nH]c3ccc(N4CCC(N)CC4)cc23)cc1 45387177 CVYWFPZSGMNWAR-UHFFFAOYSA-N 398.532 3.447 0 1 GGAF COc1cc(OC)cc([C@H]2C3=C(COC3=O)Oc3c2ccc(OC)c3OC)c1 42878815 PHLKMJKEMSRSNQ-QGZVFWFLSA-N 384.384 3.056 0 1 GGAF COc1ccc(CN2CCc3c(c(N4CCCCC4)nc4[nH]nc(N)c34)C2)cc1 49089055 STUAUXQAFHHZTR-UHFFFAOYSA-N 392.507 3.097 0 1 GGAF O=C1Nc2cc(C(=O)NC[C@@H]3CCCN3)ccc2S/C1=C\c1ccccc1F 95557603 XTAPFQXNJJGUEV-VUQQOUJSSA-N 397.475 3.393 0 1 GGAF Cn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)O 587575188 DCMAMTYRWTUICB-LAUBAEHRSA-N 379.368 3.306 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2cnn(C)c2)N1 587756003 CIMDXXGQQMIJMN-HUTHGQBESA-N 390.260 3.335 0 1 GGAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2nc(Cl)c[nH]c-2n1 587002291 LIUNPXCAISRDTP-JTQLQIEISA-N 391.660 3.444 0 1 GGAF CN1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CS1(=O)=O 587530190 DBKNFGRABNADDH-OAQYLSRUSA-N 383.469 3.206 0 1 GGAF COc1cccc(CN2CCC3(CC2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)c1 587438626 QGOQZVQACUTPRU-LJQANCHMSA-N 379.456 3.486 0 1 GGAF Cc1ccnc2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc12 586942418 KLZWLYRCUNMYIP-UHFFFAOYSA-N 385.276 3.094 0 1 GGAF COC(=O)c1noc(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795364 ODNSTSKQAOFYHN-WNWIJWBNSA-N 397.244 3.469 0 1 GGAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cs1 587014789 ZAWOBZCVIYDIAV-CQSZACIVSA-N 388.453 3.435 0 1 GGAF COc1cc2c3c(c1)OC1(CC(c4ncc5c(Cl)nccn45)C1)[C@@H](C2)C3=O 587422281 SPKSZMWJCVZJMU-KHUXFNJZSA-N 381.819 3.455 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(COCCN(C(=O)OC(C)(C)C)C1)CC2=O 587475926 QWPFBJMRTQWOFQ-NRFANRHFSA-N 391.464 3.316 0 1 GGAF Cc1ccnc2[nH]c([C@H](N)Cc3ccc(I)cc3)nc12 587186191 QJSJUXRPZQMYTN-GFCCVEGCSA-N 378.217 3.113 0 1 GGAF Cc1nc(Cl)cc([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)n1 962674942 WMOMBRXNSUQOSZ-XLIONFOSSA-N 382.851 3.175 0 1 GGAF O=C1N[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)Cn2c1cc1ccccc12 1772627358 JQTHGJWCEHFQGL-HNNXBMFYSA-N 387.361 3.089 0 1 GGAF Cc1cc(-c2cn(-c3ccc4c(c3)CC[C@@](N)(CO)C4)nn2)ccc1OC(C)C 1772607050 DBUZIKAUDIZNHO-QHCPKHFHSA-N 392.503 3.208 0 1 GGAF O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 165997587 KYMDMEIHRSBWLD-IBGZPJMESA-N 383.423 3.282 0 1 GGAF Nc1nnc(-c2ccc3[nH]cc(-c4cccc(-n5ccccc5=O)n4)c3c2)s1 204762453 WWFCQWLROPCPMS-UHFFFAOYSA-N 386.440 3.482 0 1 GGAF CCc1cc(F)c(N)c2nc(-c3ccc(P(=O)(O)O)o3)n(CC(C)C)c12 1549124 GSEADEUPRWQKIW-UHFFFAOYSA-N 381.344 3.039 0 1 GGAF CC1=C[C@H](CNC(=O)c2ccco2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 2356321069 LTEAWBCOHFNUQG-OTWHNJEPSA-N 388.508 3.113 0 1 GGAF Brc1cccc(-c2nnc3sc(CNC[C@H]4CCCO4)cn23)c1 2467033 WFAQGRURZDAIQA-CYBMUJFWSA-N 393.310 3.489 0 1 GGAF COCCNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3cccs3)oc2C)CC1 61927299 ZGOLHDPKORHYHQ-HNNXBMFYSA-N 390.505 3.321 0 3 GGAF CCN(CC)C(=O)[C@H](C)[C@H]1CCc2c(C)cc(OCCOC)c(C)c2[C@@H]1O 6274484 HQYADZTWSICTSK-FQELHTAISA-N 377.525 3.429 0 1 GGAF biogenic COCCOCc1nc(C(F)(F)F)ccc1C(=O)C1=C(O)[C@@H]2CC[C@@H](C2)C1=O 38349213 HUYBEDCQLAEVPD-MNOVXSKESA-N 399.365 3.257 0 1 GGAF in-vitro CC(C)(C[C@H](O)CO)c1nnc2ccc(Sc3ccc(F)cc3F)cn12 38268649 YYDMYLLCCVAJRV-LBPRGKRZSA-N 379.432 3.180 0 1 GGAF Cc1cc(OCCCN2C[C@@H]3N[C@@H]3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49089353 QSQGSZFGWGGJAK-BGYRXZFFSA-N 380.467 3.411 0 1 GGAF COc1ccc(C2=Nc3c(N)ncnc3N[C@@H](c3ccc4c(c3)OCO4)C2)cc1 40422238 FBCMGGUKXIONDR-MRXNPFEDSA-N 389.415 3.474 0 1 GGAF COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1Cl 82154986 KWPIXAFTNRZYJN-UHFFFAOYSA-N 376.800 3.017 0 1 GGAF COc1ccc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)cc1OC 140549331 USBJXXZMWWDHDE-UHFFFAOYSA-N 382.807 3.218 0 1 GGAF CC(C)n1nc(-c2cnc(N)c(Cl)c2)cc1C1CCN(C2COC2)CC1 146425916 NUWMYJNYJQLGCV-UHFFFAOYSA-N 375.904 3.340 0 1 GGAF FC(F)(F)c1ccn(Cc2cc(-c3nc4cc5c(cc4[nH]3)OCO5)no2)n1 587118197 KNDZOJONZQJGKB-UHFFFAOYSA-N 377.282 3.210 0 1 GGAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ncccc32)[C@@H]1c1ccc(F)cc1 587350822 SHYFBZZBNIBFPX-UTKZUKDTSA-N 376.343 3.133 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1 587864007 VSMKADRDSBQWEA-UHFFFAOYSA-N 397.378 3.214 0 1 GGAF CCS(=O)(=O)c1cccc(Cc2nc3cc(Br)cnc3[nH]2)c1 586922310 LFTBLWSITVXACB-UHFFFAOYSA-N 380.267 3.105 0 1 GGAF COc1ccc(C(=O)c2ccccc2-c2nc3c(O)nc(S)nc3[nH]2)cc1F 587144626 OYSTUMWGCJNXIV-UHFFFAOYSA-N 396.403 3.393 0 1 GGAF CCOC(=O)c1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587184629 JZWBYKQQCFNDAQ-UHFFFAOYSA-N 393.184 3.406 0 1 GGAF O=C(O)CCN(CCc1nc2cc(C(F)(F)F)ncc2[nH]1)Cc1ccccc1 587193284 GQNXATJHMBEWAQ-UHFFFAOYSA-N 392.381 3.496 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(C(C)(C)C)N1 587847647 GRROSWHTRXMVQP-QFYYESIMSA-N 392.334 3.408 0 1 GGAF CN=c1[nH]c(N)c([C@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)s1 587413845 PUQHQEQLWOADNR-OAQYLSRUSA-N 394.500 3.297 0 1 GGAF C[C@]1(c2cn(Cc3ccc(Cl)cc3)nn2)NCCc2nc3ccccn3c21 962990680 SHAGIHYTEPLNLP-HXUWFJFHSA-N 378.867 3.037 0 1 GGAF CC(C)Nc1cc(-n2ccc3cccnc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O 1772638665 WFCYRBWVGCVRPN-QGZVFWFLSA-N 399.470 3.080 0 1 GGAF COc1ccc(-c2nnc3n2N=C(c2c(OC)cccc2OC)CS3)cc1 13828669 LKQMOXSGQDSHAS-UHFFFAOYSA-N 382.445 3.329 0 1 GGAF O=C(NN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1 169343961 QJTSASFXQXUZIY-UHFFFAOYSA-N 382.895 3.326 0 1 GGAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccc(F)cc1 169350235 FPBGEAUIYJVMNI-XAKZCVKDSA-N 388.435 3.410 0 1 GGAF COc1cccc(NC(=O)[C@@H]2CCCN2C(=O)NCc2ccccc2OC)c1 201450378 PDZODMHIKMKNJE-SFHVURJKSA-N 383.448 3.017 0 3 GGAF CN(C)CCNC(=O)c1cccc(-c2cnc3ccc(-c4ccsc4)nn23)c1 1857753587 SBFVAVMACZZRED-UHFFFAOYSA-N 391.500 3.416 0 1 GGAF CCN(CC(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)c1ccccc1 2497640 CUFPSRNEDAIGQC-UHFFFAOYSA-N 378.428 3.304 0 1 GGAF CCOC(=O)c1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)Nc1ccccc1 28702096 NISMPXFTUPEROR-GOSISDBHSA-N 394.431 3.437 0 1 GGAF COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@H](O)C(C)C)c(F)c1 29128644 STPGUVGBBUKEOY-SFHVURJKSA-N 377.387 3.052 0 1 GGAF CC(=O)O[C@@H]1[C@H](C)C[C@H]2[C@@H]3[C@@H]4O[C@@H](/C=C(/C)[C@H](O)CC[C@]4(C)OC[C@@H]2C)[C@@H]31 42877318 QQUBMUOPSYDXCO-QWTOVWNTSA-N 378.509 3.100 0 1 GGAF Cc1ccc(CNc2ncc(C(=O)N3CCOCC3)c(-c3ccccc3F)n2)o1 82150604 VIPAVYXNEKIEFN-UHFFFAOYSA-N 396.422 3.269 0 1 GGAF CCC(CC)CNc1c2n(c(=O)n(C(C)C)c1=O)C[C@H](Cc1ccccc1)N2 82205261 VYVALBRFZOYCQG-SFHVURJKSA-N 384.524 3.476 0 1 GGAF CCC(=O)N(C)C[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)CC 95895284 KZTYLXSVSOKJSS-MZKRTTBSSA-N 384.520 3.188 0 1 GGAF Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cncc2F)s1 142677349 QBCLESTWBJLXNE-UHFFFAOYSA-N 389.309 3.488 0 1 GGAF O=C1CCC(=O)N1c1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1 147747784 DQPJRDBDIKYSAM-REWPJTCUSA-N 376.456 3.481 0 1 GGAF Cc1nc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)co1 149014402 ZLLYNADCJVLIKL-UHFFFAOYSA-N 399.454 3.410 0 1 GGAF CCC[C@@H](CC1(C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)CCCC1)C(=O)O 169354503 DXFWFDIVNNUBBJ-IKGGRYGDSA-N 380.529 3.201 0 1 GGAF CCc1nn(C)c2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 169711750 JDFBORTWMSETMR-UHFFFAOYSA-N 391.454 3.097 0 1 GGAF CCOc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCC(=O)O)c(F)c2)cc1 473089686 SNIWNDBLHXJRHU-LBPRGKRZSA-N 377.368 3.094 0 1 GGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 586936907 BHIJFBCWZORTAL-VIFPVBQESA-N 382.848 3.494 0 1 GGAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(=N)[nH]cc3[nH]1)N2 587031243 MLRZZXLUSKTLPF-CVSYOPMASA-N 386.506 3.497 0 1 GGAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc[nH]c(=N)c3[nH]2)c1 587050025 LSSVBWNLQMVICQ-SREVYHEPSA-N 398.854 3.414 0 1 GGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c(Br)ccnc2[nH]1 587194626 WMNGXTWQQOJTEE-LLVKDONJSA-N 398.305 3.238 0 1 GGAF CCOC(=O)[C@@]1(CC(=O)CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587800209 VYAKJQCFLDUBCC-QGHHPUGFSA-N 386.261 3.250 0 1 GGAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 587934019 ACBGZQJYTZRTAM-BTYIYWSLSA-N 380.492 3.160 0 1 GGAF Cc1ccc(-n2cccc2[C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)nc1 963235906 WIEVULJHWWLYEC-SIKLNZKXSA-N 384.439 3.417 0 1 GGAF CCCCn1c(C)c2c(c1C)C(=O)N(CN1CCN(c3ccccc3)CC1)C2=O 1857550592 DGCCBPKNZKALHP-UHFFFAOYSA-N 394.519 3.281 0 1 GGAF COc1cccnc1C1CCN([C@@H]2CCCN(c3nsnc3C)CC2)CC1 1857555151 ANZNJWTUNQHDDQ-QGZVFWFLSA-N 387.553 3.489 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@H]1c1ccccc1 72119666 JPZBNCHIIWSDBC-SFHVURJKSA-N 375.421 3.061 0 3 GGAF O=c1nc(CSc2nc3ccccc3o2)nc2n(-c3ccccc3)[nH]cc1-2 103680468 GIYZZPVSSGAUSW-UHFFFAOYSA-N 375.413 3.494 0 3 GGAF OCCOCn1cnc2c(Cl)nc(Nc3cc(Cl)cc(Cl)c3)nc21 3590256 DTVHTYSDFKSFIJ-UHFFFAOYSA-N 388.642 3.497 0 1 GGAF NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccccc2F)cc1 3814594 OTKZRHXBUKGBJZ-UHFFFAOYSA-N 385.342 3.345 0 1 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCO 4152169 NNMHVBFOQWMXHI-UNMCSNQZSA-N 396.487 3.409 0 1 GGAF CC(=O)O[C@@H]1C2=C(C)[C@H](OC(C)=O)C[C@@]23[C@@H](C)[C@@H](OC(C)=O)C[C@H]1C3(C)C 104381315 LCYMMMXHRHJXJB-LZXDWZFGSA-N 378.465 3.184 0 1 GGAF in-man COc1ccc(-n2cc(CSc3ccc(OCC(=O)O)c(C)c3)nn2)cc1 53297422 DJOFFXNEOWDXOM-UHFFFAOYSA-N 385.445 3.340 0 1 GGAF O=C1CC(c2cccc(-n3ccnn3)c2)=Nc2ccc(Br)cc2N1 101148481 DHMITRBJSOGLHR-UHFFFAOYSA-N 382.221 3.493 0 1 GGAF O=C(NCCN1CCCc2ccc(O)cc21)c1ccc(OC(F)(F)F)cc1 29040737 MKVINKFSJSMUIZ-UHFFFAOYSA-N 380.366 3.473 0 1 GGAF COc1nnnc2c1sc1nc(N3[C@@H](C)COC[C@H]3C)c3c(c12)CCCC3 28949407 YTZCADWXNRDHAC-PHIMTYICSA-N 385.493 3.136 0 1 GGAF CCN1CCN(CCCNC(=O)c2cc3cc4ccc(C)cc4nc3o2)CC1 20209575 ZJVGHJBWWMYTCN-UHFFFAOYSA-N 380.492 3.047 0 1 GGAF Cc1nn(C2CCCCC2)c2sc(C(=O)NCCN3CCN(C)C3=O)cc12 114710687 JXHHZNCKLKNSDE-UHFFFAOYSA-N 389.525 3.009 0 1 GGAF Brc1cccc(CN[C@H]2[C@H]3[C@@H]4[C@@H]5C[C@@H]3[C@H]3[C@@H]2[C@@H]([C@H]53)C42OCCO2)c1 195293494 WAUBOCWMTBAXMK-JUCZMBJESA-N 388.305 3.038 0 1 GGAF Cc1ccc2nc3c(cc2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3 95560457 STXMPCQYFSHTAD-UBFVSLLYSA-N 386.495 3.277 0 1 GGAF C[C@@H]1CCc2sc(NC(=O)CN3CCN(c4ccc(F)cc4)CC3)nc2C1 96258517 YNBHDUGLDPPPOG-CQSZACIVSA-N 388.512 3.168 0 1 GGAF CCCN(C)c1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ncn1 261104018 HBRCAQBOGKFJBQ-OXJNMPFZSA-N 397.523 3.178 0 1 GGAF CCOC(=O)[C@H](C)Oc1cc(N2C(=O)[C@@H]3CCCC[C@H]3[C@H]2O)c(F)cc1Cl 299846567 UXOCOOGEWMHURA-SHFDMQKMSA-N 399.846 3.281 0 1 GGAF O=S1(=O)N[C@@]2(CCCN(Cc3ccc(Cl)cc3)C2)COc2ccccc21 299851598 HBSYIIAZAKYULE-LJQANCHMSA-N 392.908 3.046 0 1 GGAF CCOC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587648815 BGTZHHBNADWISS-UHFFFAOYSA-N 385.310 3.402 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(-c3[nH]c(=N)sc3CCC)[nH]c2c1 587012647 DOFOGXJIEYHDHR-UHFFFAOYSA-N 393.538 3.130 0 1 GGAF COc1cc(/C=C\c2nc3ccc(-n4cnnn4)cc3[nH]2)ccc1Br 586976990 JHMXCUGBXKAZMQ-CLTKARDFSA-N 397.236 3.480 0 1 GGAF COC(=O)[C@@H]1SC[C@H](C)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587616599 FQLWNOUIFDLLEQ-GUIKMHSWSA-N 386.425 3.017 0 1 GGAF COC(=O)c1ccc(Oc2ccc3nc(-c4nn(C)c(O)c4F)[nH]c3c2)cc1 587156160 XESKZRRKPJCFLI-UHFFFAOYSA-N 382.351 3.387 0 1 GGAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 586940856 IHEZMIAQDZFWRA-SREVYHEPSA-N 396.394 3.375 0 1 GGAF CC(C)(C)OC(=O)N[C@H](Cc1nc2c(N)ncnc2[nH]1)c1cccc(Cl)c1 587071878 RFBBIERHTZLQJC-GFCCVEGCSA-N 388.859 3.397 0 1 GGAF CS(=O)(=O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587004111 QVRZONOASWVCFG-UHFFFAOYSA-N 391.250 3.272 0 1 GGAF O=C(/C=C\c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)Nc1ccccc1 587244328 NYGHLXJTBGBDCD-QXMHVHEDSA-N 386.415 3.274 0 1 GGAF CC1=C(c2ccc3[nH]c(-c4oc5c(c4C)[C@@H](O)CCC5)nc3c2)NNC(=O)C1 586904695 YMNVQQNASSJYEN-HNNXBMFYSA-N 378.432 3.257 0 1 GGAF COC(=O)[C@@H]1SC[C@H](C)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587854589 CYXMURTYDDMSPE-YAODMKAHSA-N 388.302 3.242 0 1 GGAF Cc1cccc2c1[C@@H](c1cnc(N)cn1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963852211 ATQKCLRJJQJJQQ-AUUYWEPGSA-N 398.463 3.093 0 1 GGAF CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@]1(C2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962964989 KLVZKEUZOPMGOP-LRSZYAKPSA-N 399.821 3.323 0 1 GGAF Cc1ccoc1C(=O)N1CCCn2nc(C(=O)Nc3ccc(F)cc3)cc2C1 1772611887 AFFGVVGVLFKLNP-UHFFFAOYSA-N 382.395 3.222 0 1 GGAF COc1ccc(-n2ncc([C@@H](C)NS(=O)(=O)c3cccs3)c2C)cc1 12763958 FZDRDXXDLNLRJS-GFCCVEGCSA-N 377.491 3.290 0 3 GGAF CCOC(=O)c1cn2ncnc(Oc3cccc(C(=O)NOC)c3)c2c1C(C)C 13645246 KAADGSAXKJPGRI-UHFFFAOYSA-N 398.419 3.113 0 1 GGAF COCC(=O)Nc1c(C(=O)OC)n(CCC(C)C)c2ncc(NC(C)C)cc12 14741679 FQIMKVFQBIJTLE-UHFFFAOYSA-N 390.484 3.274 0 1 GGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c1 766946 TWMYJPKVTQAECK-AQKFKSFVSA-N 395.503 3.243 0 1 GGAF CC(=O)O[C@@H]1C=C(C)C[C@H](O)[C@@H]2[C@](C)(CC=C(CO)C1)CC[C@@]2(O)C(C)C 2356424767 UVSDLGIXSNUFRQ-PVIWCNJMSA-N 380.525 3.131 0 1 GGAF O=C(COc1cccc2c1CCN(Cc1ccccc1F)C2=O)N1CCCCC1 2716491 MAZNCIABOUOONS-UHFFFAOYSA-N 396.462 3.416 0 3 GGAF COc1cccc(Cn2c(=O)c(-c3cc(F)cc(F)c3)nc3cncnc32)c1 4238807 LPBOFWIYYNPWKH-UHFFFAOYSA-N 380.354 3.189 0 1 GGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](Cc4ccccc4)C[C@@H]4[C@H](C2)N(C)CC[C@@]341 101203447 JKQIXBQTODIBRA-PUBYQZPFSA-N 389.495 3.402 0 1 GGAF Cc1ccc(S(=O)(=O)N2C(=O)NC[C@@H]2c2ccc(Br)cc2)cc1 26572244 XVMFJDAIDRZNRP-OAHLLOKOSA-N 395.278 3.213 0 1 GGAF O=[N+]([O-])/C(CSc1ccccc1)=C1\NCCN1Cc1ccc(Cl)nc1 103277191 YUOFVDXBLSILQY-BMRADRMJSA-N 376.869 3.378 0 1 GGAF C[C@]1(O)CCN(C(=O)c2ccccc2F)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356453358 VQMARVCSENKPEC-JTAQYXEDSA-N 396.462 3.059 0 1 GGAF O=C(O)c1ccc(Nc2nc3nn(Cc4ccccc4)cc3c(=O)s2)cc1 31851878 DGPWUOVYCRMSPU-UHFFFAOYSA-N 378.413 3.343 0 1 GGAF O[C@H](COC1CCN(Cc2ccccc2)CC1)CN1CCc2ccccc2C1 219755391 CIBTWVSNFZEMDZ-QHCPKHFHSA-N 380.532 3.087 0 1 GGAF NCCCCCNc1nc(Nc2cccc(F)c2)nc(-c2cncc(F)c2)n1 45357062 YYVOCQDZFUWMNW-UHFFFAOYSA-N 385.422 3.496 0 1 GGAF CCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 82196302 LGDYDRKHSATKDS-UHFFFAOYSA-N 378.476 3.394 0 1 GGAF COc1cc2nc(N3CCC(C)CC3)nc(NC[C@@H]3CCCO3)c2cc1OC 82119598 PUKFDSDQOQOVFK-HNNXBMFYSA-N 386.496 3.474 0 1 GGAF COc1ccc(-c2csc(N[C@@H](Cc3c[nH]cn3)C(=O)NCC(C)C)n2)cc1 82192174 XMJGYNLBBBQQCA-KRWDZBQOSA-N 399.520 3.337 0 1 GGAF C[C@@H]1CNc2c(NCc3ccccc3F)c(=O)n(CC3CCCCC3)c(=O)n21 82211077 RSTBCDFJAHNPNN-CQSZACIVSA-N 386.471 3.328 0 1 GGAF O=C1N(Cc2ccccc2)c2cccn2S(=O)(=O)N1Cc1cccc(F)c1 96938770 PHYSAJZFZGHQFA-UHFFFAOYSA-N 385.420 3.363 0 1 GGAF Cc1cc2oc(N3CCC(C(=O)N[C@H]4CCC[C@H](O)C4)CC3)nc2cc1Cl 95582118 BGWXAFOHHXWKBL-GJZGRUSLSA-N 391.899 3.426 0 1 GGAF O=C(NC[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccccc2F)cc1)c1ccccc1 95895449 YYGZBTVEQGUGPO-VABKMULXSA-N 390.458 3.339 0 1 GGAF COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)c(OC)c1 238763788 IFGJIVLFLATVAM-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)cnc2[nH]1 586939038 XXIIUQLEQOPKNQ-CYBMUJFWSA-N 396.925 3.384 0 1 GGAF CCn1cc(Br)c(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1 587001244 VEJHURNQTILJCS-UHFFFAOYSA-N 385.168 3.454 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2cncn2)(C2(Cl)CC2)N1 587692030 JIQLQHCPMANOSC-HWPZZCPQSA-N 399.695 3.381 0 1 GGAF COc1cc(OC)nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587774634 NBQAXFDSEAPMHT-AYVTZFPOSA-N 382.233 3.019 0 1 GGAF Cc1ccn(C[C@@H](C)c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)n1 587923816 QBMOVMZEFYIRJR-GFCCVEGCSA-N 376.507 3.490 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cn1)OCCO2 587589521 XPGZDWZCMOJLEK-RXVVDRJESA-N 377.352 3.261 0 1 GGAF COC(=O)c1ccc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2c1OC 586882551 XSNBUXMVOBINDN-UHFFFAOYSA-N 380.400 3.287 0 1 GGAF O=C(O)c1cccc2c1CCN[C@H]2c1sc(Br)c2c1OCCO2 963156332 ZWUJZPRTDGHUHS-LLVKDONJSA-N 396.262 3.215 0 1 GGAF Cc1ccccc1S(=O)(=O)NCCCCCCNc1nsc2nccn12 13641259 SHCHYVBWWCFVCO-UHFFFAOYSA-N 393.538 3.050 0 1 GGAF Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)CCCn2cncn2)c1 15072552 HGELGDVYLXKVJC-IBGZPJMESA-N 378.480 3.055 0 3 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GGAF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 13827539 NSHPHXHGRHSMIK-ZLMDAZAFSA-N 395.521 3.303 0 1 GGAF COc1cc2c(c(OC)c1OC)C(=O)c1nccc3c(OC)c4c(c-2c13)OCO4 14616198 FMVWGBPQFBTAOW-UHFFFAOYSA-N 395.367 3.209 0 1 GGAF biogenic COc1nc2sc(-c3cccc([C@H](C)NC(C)=O)c3)nc2c2c1ncn2C 66258608 NOGGSBMPFPAFIZ-JTQLQIEISA-N 381.461 3.451 0 1 GGAF CCN(c1ccc(-c2csc(CC(=O)OC(C)(C)C)n2)cc1)S(C)(=O)=O 141249927 SNPAHGOEPNALQR-UHFFFAOYSA-N 396.534 3.480 0 1 GGAF O=C(O)CCC/C=C/C[C@H]1[C@@H](CNCC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 169370248 QNVZKLNFWSYJGO-LYUJPSGTSA-N 386.492 3.210 0 1 GGAF O=C(c1cccs1)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(F)cc2n1O 377815821 IMJVEESTERVJFA-UHFFFAOYSA-N 377.270 3.383 0 1 GGAF O=C(Nc1nc(Cc2nc3ccc(CCO)cc3[nH]2)cs1)c1cccs1 587019896 RUVOEZOSOQOEIL-UHFFFAOYSA-N 384.486 3.459 0 1 GGAF CC1=C(c2ccc3nc(C4(c5cccc(Cl)n5)CC4)[nH]c3c2)NNC(=O)C1 587086245 YUKFVUMZOWOGSO-UHFFFAOYSA-N 379.851 3.447 0 1 GGAF CSc1ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1 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3.420 0 3 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1F 95599162 JKOPVYOBIRRIGA-LJQANCHMSA-N 389.448 3.369 0 3 GGAF CCC=CCC=CC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C=C[C@H](O)CC=CCCC(=O)O 2356312725 HLOKCEDYFAXGRQ-XNTOXWQXSA-N 378.509 3.375 0 1 GGAF CC[C@@H](O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 3939650 VFEDEOUBYBLDKN-HZPDHXFCSA-N 383.500 3.376 0 1 GGAF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1OC 4049437 URVBUDXXWOHXHI-RBBKRZOGSA-N 395.503 3.245 0 1 GGAF Cc1ccc(C)c(Cn2c(=O)ccn(CCOc3ccc(Cl)cc3)c2=O)c1 4769812 QQSMFLMVQMEUCA-UHFFFAOYSA-N 384.863 3.408 0 1 GGAF CCc1ccccc1SCc1noc(C(=O)NC[C@@H]2CCCO2)c1C(=O)O 8691344 XSMALCMSPICWAH-ZDUSSCGKSA-N 390.461 3.136 0 3 GGAF CC(=O)NCc1cccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c1 28473639 DZXOBHQYCCRRCJ-HSZRJFAPSA-N 393.531 3.161 0 1 GGAF COc1cc(OC)nc(Oc2cccc(C(=O)c3ccccc3)c2C(=O)O)n1 103198984 QYUPWRMUANWGGA-UHFFFAOYSA-N 380.356 3.215 0 1 GGAF CC(C)N(C)[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 101468080 CYGPYQOZKURPPY-QAQDUYKDSA-N 399.457 3.203 0 1 GGAF COc1ccc2nc(CO[C@@H]3CN(Cc4ccc(C(=O)O)cc4)C[C@H]3F)[nH]c2c1 2356299280 DOFFAGNHOGHQAJ-VQIMIIECSA-N 399.422 3.009 0 1 GGAF COc1ccc([C@@H]2CC(=O)C[C@H](c3ccco3)C23C(=O)OC(C)(C)OC3=O)cc1 28893277 PSDRYUDBJFNWIF-DLBZAZTESA-N 398.411 3.341 0 1 GGAF N[C@H]1CCCN(c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)C1 113134485 OTAHTDXYIWYESO-ZDUSSCGKSA-N 377.370 3.222 0 1 GGAF CC1=CC(=O)N(c2ccc(C(=O)OCC(=O)c3ccc(C)c(C)c3)cc2)C1=O 28524974 DIAUHKMGMBPNDC-UHFFFAOYSA-N 377.396 3.163 0 1 GGAF OCCCOc1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 114337012 LWKUYNWGILHOCX-HXUWFJFHSA-N 380.492 3.401 0 1 GGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]3[C@@H]4CC(=O)O[C@@H]4O[C@@H]3C[C@@]12O 2356759172 PHLWRVWXUFAVPX-IQWBOMTCSA-N 390.520 3.019 0 1 GGAF CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 40847129 IDFHLDRTPQHTBX-MSOLQXFVSA-N 396.487 3.300 0 1 GGAF CCC(=O)N(C)C[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(C)=O 95895933 LFVZONGIIWXQAC-FUPPJEDESA-N 398.478 3.036 0 1 GGAF CC(=O)N[C@@H](C)Cc1ccc(C2CN(c3cnc(OC4CCC4)nc3)C2)cc1 149627778 BTBOJQDWTFFVSI-HNNXBMFYSA-N 380.492 3.079 0 1 GGAF O=C1COc2ccccc2N1C[C@@H](O)COc1cccc2[nH]c3ccccc3c12 96939725 YPFNLSINZRNREH-OAHLLOKOSA-N 388.423 3.486 0 1 GGAF CCOC(=O)c1cc2cc(NC(=O)CNC(=O)Nc3ccccc3)ccc2[nH]1 95576494 KJPDRDADVCOCAP-UHFFFAOYSA-N 380.404 3.105 0 1 GGAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@H](c1cc3c(cc1O)OCO3)CO2 238749752 KVXOATYTYZJCLO-ZDUSSCGKSA-N 384.384 3.400 0 1 GGAF C=CC(=O)Nc1ccc(-n2c(=O)cnc3cnc(Nc4ccccc4)nc32)cc1 96933692 SKEYVRLMSNIOGI-UHFFFAOYSA-N 384.399 3.044 0 1 GGAF N[C@@H](N=O)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587149690 PTDMLBGTBSWVEW-XIKOKIGWSA-N 385.374 3.081 0 1 GGAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587202001 ABJDXMCAIDPGSV-LLVKDONJSA-N 390.793 3.314 0 1 GGAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(Br)c(F)c2[nH]1 586962321 QDCNWDWQMDQGRX-RXMQYKEDSA-N 384.234 3.396 0 1 GGAF FC(F)c1c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cnc2ncnn12 587128368 MAOMCBSHTUMLGM-UHFFFAOYSA-N 390.663 3.019 0 1 GGAF CC1=C(c2ccc3nc([C@@H](O)[C@H](C)c4ccc(C)cc4)[nH]c3c2)NNC(=O)C1 586893098 UQIDNMJBQRLZKN-SZNDQCEHSA-N 376.460 3.464 0 1 GGAF COc1cccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 587868057 UETOCTLDBPPNSV-UHFFFAOYSA-N 378.310 3.065 0 1 GGAF COc1cccc2cc3c(nc12)[C@@](c1cccnc1)(C1CCN(C)CC1)NCC3 963044874 FBAQXAAWXWRVJO-DEOSSOPVSA-N 388.515 3.370 0 1 GGAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cncnc2C(F)(F)F)N1 962974649 KVBQODBRGWSVHK-SKDRFNHKSA-N 393.699 3.115 0 1 GGAF COc1cc2c(cc1OC)[C@@H](c1c[nH]nc1C)N(C(=O)c1ccccc1N)CC2 963138453 ISTDZEBIHJSDSE-NRFANRHFSA-N 392.459 3.105 0 1 GGAF CO[C@@H](CCc1ccccc1)c1ccccc1OC[C@@H](O)CN1CCOCC1 13529116 CHMBYHSJYWRQPA-UNMCSNQZSA-N 385.504 3.079 0 1 GGAF COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)c(F)c1 13588359 BJCQUEWIOUOTHM-UHFFFAOYSA-N 397.378 3.423 0 1 GGAF COCCNC(=O)C[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 13681886 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COc1cc(CN2C(=O)O[C@H](Cc3c[nH]c4ccccc34)C2=O)cc(OC)c1 13740659 QPYHFENMSUXYHC-LJQANCHMSA-N 380.400 3.275 0 1 GGAF Cc1cc(C)c2nc(COc3ccc(C[C@H]4SC(=O)NC4=O)cc3)n(C)c2n1 26825015 XMKZTZAAXUJJBA-OAHLLOKOSA-N 396.472 3.058 0 1 GGAF COCC(=O)N(c1cccnc1Cl)C1CCN(CCc2ccccc2)CC1 27735654 IXXXDNVJGDZCRK-UHFFFAOYSA-N 387.911 3.422 0 1 GGAF CCc1cnc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccccc2)s1 82162863 LHQYSBQZZKCYOT-UHFFFAOYSA-N 393.516 3.498 0 1 GGAF O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)s1 95563251 MKCDZUGYALTJNA-UHFFFAOYSA-N 389.289 3.496 0 1 GGAF CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C(=O)c1cccc(F)c1)C(C)C 95895431 USOTUYHXXLHJHR-FKBYEOEOSA-N 398.478 3.052 0 1 GGAF CCC[C@H](CC1(C(=O)N[C@H]2CC[C@@H](C(=O)N(C)C)CC2)CCCC1)C(=O)O 101057937 BFHMTMVYWRPPAG-BRWVUGGUSA-N 380.529 3.201 0 1 GGAF CC(C)C[C@H]1C(=O)N[C@@H](C(C)C)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 103265367 ZRVUTPCRFFIKFZ-MSOLQXFVSA-N 387.455 3.492 0 1 GGAF O=C1CNc2ncc(-c3ccc4[nH]ccc4c3)nc2N1CCC1CCOCC1 113196400 HODBKAKOJZVOEF-UHFFFAOYSA-N 377.448 3.200 0 1 GGAF C[C@H](CC(=O)O)NC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O 146703822 CTADYWAQKGRMMW-GFCCVEGCSA-N 391.383 3.197 0 1 GGAF COC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)C1 169303681 JOYRSQQCLWAALH-CQSZACIVSA-N 382.302 3.132 0 1 GGAF COc1ccc2c3c1O[C@@H]1C(=O)CC[C@]4(Nc5ccccc5)[C@@H](C2)N(C)CC[C@@]314 169372995 QMZAHWGFWQZOLK-CDIGIKMISA-N 390.483 3.168 0 1 GGAF CCn1c(O)c2n(c1=O)[C@@H](c1ccc(OC)cc1)c1[nH]c3ccccc3c1C2 169717801 URZPWMRQRJXFFB-FQEVSTJZSA-N 375.428 3.407 0 1 GGAF CCCc1ccc2c(c1)[C@@]1(NC(=O)N(CCF)C1=O)C1(CCC(OC)CC1)C2 201242560 IIMXFESFYVFFTF-IVXJCAOYSA-N 388.483 3.487 0 1 GGAF COc1cc(Cl)ccc1CC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 216303916 ZUYOQHBOAKWQHG-UHFFFAOYSA-N 397.928 3.332 0 1 GGAF COc1ccc(Br)cc1[C@H]1N(c2nccs2)C(=O)[C@@H]2CCCN21 250388923 AVIOAFPKRLMJBI-GXTWGEPZSA-N 394.294 3.424 0 1 GGAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)o1 586923855 YQUKBTAZULEMMQ-UHFFFAOYSA-N 386.408 3.288 0 1 GGAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(N)ccnc4[nH]3)c2)cc1 586931509 VUWFGLWMSVQRKI-UHFFFAOYSA-N 393.472 3.341 0 1 GGAF Brc1ccnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 586966986 OJSAVSNPGKAULU-UHFFFAOYSA-N 389.238 3.458 0 1 GGAF CN1CCN(c2ccc3nc(-c4cc(F)nc(N5CCCC5)c4)[nH]c3c2)CC1 587177580 NWZZGNGCGRCXFB-UHFFFAOYSA-N 380.471 3.116 0 1 GGAF N[C@@H](Cc1ccc(I)cc1)c1nc2cncc(Cl)c2[nH]1 587183019 ABWXTUBSPVUMIE-NSHDSACASA-N 398.635 3.458 0 1 GGAF C=CN1CC[C@@H]([C@@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587396605 UNNAAGSNNSVIRG-JPYJTQIMSA-N 392.455 3.439 0 1 GGAF CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1 587654609 MFJZJHJMURJCFM-CYBMUJFWSA-N 391.855 3.337 0 1 GGAF CCOC(=O)C[C@@]1(CCOC)N[C@H](C)Cc2ccc(F)c(Br)c21 587791312 HGAGBQMNFIBYSW-PIGZYNQJSA-N 388.277 3.307 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cnn(C)c(=O)c1Cl 587861065 LJHHRWFISOUBQH-UHFFFAOYSA-N 384.745 3.314 0 1 GGAF COc1ccccc1CC(=O)c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2[nH]1 587932138 UVOSEYYFFSVPBA-UHFFFAOYSA-N 398.362 3.290 0 1 GGAF Cc1nc2ccc(F)cn2c1C(=O)NCCOc1ccc(Br)cc1 1857576022 CALGFIYYNIHYII-UHFFFAOYSA-N 392.228 3.353 0 1 GGAF CNCCC[C@H](N)CNC(=O)C(CCc1ccccc1)CCc1ccccc1 1857598911 INSSIXUHBMLUEI-QHCPKHFHSA-N 381.564 3.311 0 1 GGAF F[C@@H]1CN(C2CCOCC2)C[C@H]1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 2356470689 CWUBXVXWVRJECF-CZUORRHYSA-N 387.377 3.300 0 1 GGAF CC(=O)OCC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356565328 VZSUPVZEJNDVGF-ZUTOOLDJSA-N 392.536 3.109 0 1 GGAF C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)CNC2CCCC2)cc1 4897810 NUKZAUUKQWHMOA-IYBDPMFKSA-N 393.553 3.109 0 3 GGAF CN1[C@H](C(=O)NCC2CC2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 13660707 OMJFUEODJCESQQ-HPEXNQPKSA-N 379.291 3.244 0 3 GGAF CCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC(C)=O)cc1 27631500 NLNLLSKFRIJAAN-UHFFFAOYSA-N 387.388 3.058 0 1 GGAF Cc1ccc(NC(=O)N(C)CCCO)cc1Nc1nccc(-c2cccnc2)n1 28397719 UAALJOKYUJEYAG-UHFFFAOYSA-N 392.463 3.437 0 1 GGAF c1ccc(-c2ccc(CNCCCCNCCCCN3CCNCC3)cc2)cc1 28823682 ZTCSLYFZBRCPLG-UHFFFAOYSA-N 394.607 3.498 0 1 GGAF CCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)[C@H]1c1[nH]c(CC)nc1Cl 35847721 HSUSRPPQUJSMEU-OAHLLOKOSA-N 395.887 3.377 0 1 GGAF Cc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NCc1ccccc1 40876823 FSOCAAABYQHJNO-UHFFFAOYSA-N 377.466 3.084 0 1 GGAF CCOC(=O)c1nn(CC2CC2)c(=O)c2nn(-c3ccccc3Cl)c(C)c12 49784670 QBNOCOQPYSXINA-UHFFFAOYSA-N 386.839 3.131 0 1 GGAF CC(C)(C)NC(=O)[C@]1(CCc2ccccc2)OC(=O)[C@H](Cc2ccccc2)C1=O 58689430 SEXMJXDOLDPQNT-NTKDMRAZSA-N 393.483 3.258 0 1 GGAF COCCNC(=O)c1cnc(NCc2ccccc2)nc1-c1ccc(F)cc1 82141663 RFPHVNRGEKGSSU-UHFFFAOYSA-N 380.423 3.271 0 1 GGAF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1c(Cl)ccnc1Cl 103252963 KDNXOMVMERHOST-GFCCVEGCSA-N 381.215 3.352 0 1 GGAF COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 141656009 FWUWJAIPWDUCBA-NSMLZSOPSA-N 388.423 3.259 0 1 GGAF CCCN1CCN(c2ccc(S(=O)(=O)Oc3ccc(OC)cc3)cc2)C1=O 146381178 HBSMNUTUYZOFES-UHFFFAOYSA-N 390.461 3.115 0 1 GGAF NC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1 207739603 HBFCIHHOWFMFFT-FQEVSTJZSA-N 381.451 3.073 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@@H]3CCCNC3)c2cn1)c1ccccc1 210688652 BDLIBBUDUQZMPL-UKRRQHHQSA-N 379.468 3.005 0 1 GGAF O[C@@H]1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)C1 215848663 SGFUUDAUBFRRPH-GOSISDBHSA-N 387.443 3.379 0 1 GGAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cccc(OC)c1 299838224 MKJKFBLKLDXSEY-UHFFFAOYSA-N 379.796 3.118 0 1 GGAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1 299875750 DKUQQVWAFYSFQU-IVVIFDIFSA-N 399.443 3.409 0 1 GGAF NC(=O)c1cccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 586921152 DHNNZNLGHYSDCV-UHFFFAOYSA-N 391.452 3.303 0 1 GGAF O=C(Nc1nc(Cc2nc3ccc(CO)cc3[nH]2)cs1)c1cccc(O)c1 587019295 JUQJXHRJKQNCON-UHFFFAOYSA-N 380.429 3.060 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(Cl)ncnc3[nH]2)cc1 587041267 FDGNSHFSEZAGGM-GFCCVEGCSA-N 389.868 3.293 0 1 GGAF Nc1ccnc2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c12 587064215 OZXLSXGOSFOZPN-UHFFFAOYSA-N 381.823 3.101 0 1 GGAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587234464 GHRHZXIZTUHXCS-NKWVEPMBSA-N 378.148 3.074 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCN1CCOCC1 587866053 CKORZMZCQCSDDE-UHFFFAOYSA-N 397.397 3.330 0 1 GGAF CC(=O)Cn1c(=O)n(-c2ccccc2F)c(=O)c2c3c(sc21)C[C@H](C)CC3 957643979 NBQHOXUILXYXDS-LLVKDONJSA-N 386.448 3.067 0 1 GGAF COc1ccc(-n2cc([C@H]3c4c(ccc(OC)c4OC)C[C@@H](C)N3C)nn2)cc1 962637448 WWORFWIFQHTGAG-SZNDQCEHSA-N 394.475 3.259 0 1 GGAF COc1ccc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1C(=O)O 962772330 VYTNCXVUVZTDIY-GDBMZVCRSA-N 379.334 3.129 0 1 GGAF CC(C)c1ccc(S(=O)(=O)N2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 1857576318 PGIDIMILIZZQHU-OAQYLSRUSA-N 398.484 3.282 0 1 GGAF O[C@@H]1CC[C@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNCc1ccncc1 2356287333 HAWVBIQCTBCQBD-KCZVDYSFSA-N 397.450 3.117 0 1 GGAF CC(=O)OC[C@@]12CC[C@@H]3[C@H](C)CN4C[C@H]1CCC1=C5[C@H](CC1)[C@H](C(=O)O)C[C@]52[C@@H]34 2356389125 IHVFWTKRIURIBX-GCVKCCNZSA-N 399.531 3.487 0 1 GGAF CCN(CC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@@H]2[C@H]1O 2356536686 QESXGMPOBFHENL-DHZSWZKLSA-N 392.584 3.209 0 1 GGAF Cc1cc(N2CCN(C(=O)c3ccoc3)CC2)n2nc(-c3ccccc3)cc2n1 61944536 MEAOCLDEHXULLL-UHFFFAOYSA-N 387.443 3.260 0 3 GGAF COc1ccc(NC(=O)[C@@H]2c3ccccc3OCC(=O)N2CC(F)(F)F)cc1 199207006 IWCYKYFECKPRRL-KRWDZBQOSA-N 394.349 3.158 0 3 GGAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4215393 VJOFKDRWNYBCIW-CEWLAPEOSA-N 385.508 3.438 0 1 GGAF CCc1cc2c(cc3c(=O)n(CC(=O)N4CCC(C)CC4)nc(CC)n32)s1 6749575 RMIVPDLFSMDEIG-UHFFFAOYSA-N 386.521 3.094 0 1 GGAF CCc1nc(NN2C(=O)C=C(C)C2=O)ncc1-c1ncc(-c2ccccc2)o1 13818222 FLNZGTULXPRRKO-UHFFFAOYSA-N 375.388 3.003 0 1 GGAF COc1ccc2c(c1)C[C@H](C(=O)O)N2C(=O)[C@@H](C)CSC(=O)c1ccccc1 27319266 OTMYNJIFQALLAX-SCLBCKFNSA-N 399.468 3.247 0 1 GGAF COc1cc(N2C(=O)c3ccc(Br)cc3C2=O)ccc1N(C)C 29038400 ALTSAOAHSLPIRI-UHFFFAOYSA-N 375.222 3.324 0 1 GGAF CNC[C@H](O)Cc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 36400411 OBYIXHCAYXUAKA-DQYWGJDHSA-N 390.955 3.409 0 1 GGAF CCOC(=O)[C@H](C(C)=O)[C@H](c1ccc(O)cc1)c1c(O)c2ccccc2oc1=O 40918935 LJUVFUZXAXLULL-MSOLQXFVSA-N 396.395 3.104 0 1 GGAF O=C(C1CCOCC1)N1CCCN(c2nc3c(Cl)cccc3s2)CC1 72110369 GDGGQXBMYQXXJX-UHFFFAOYSA-N 379.913 3.415 0 1 GGAF CCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 82209820 CFXMMRCRZDPBNF-ROUUACIJSA-N 376.497 3.376 0 1 GGAF CN1C(=O)N(c2ccc(F)nc2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl 95565823 HQNPEHOUPFEBOK-AWEZNQCLSA-N 397.237 3.084 0 1 GGAF COc1cc(/C=C\C(=O)OCCCc2cc(OC)c(O)c(OC)c2)ccc1O 95910585 NANVSEZBOWJRFG-CLFYSBASSA-N 388.416 3.313 0 1 GGAF biogenic,in-vitro CC(=O)N[C@@H]1CCc2ccc(Oc3cnc4[nH]cc(C(=O)NC(C)C)c4n3)cc21 96269457 WISJHPKKVVBBCE-QGZVFWFLSA-N 393.447 3.012 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4F)cc(O)c31)[C@@H]1CC[C@@H](C2)N1 100633327 NJAUOABWSCKCKE-NHYWBVRUSA-N 386.448 3.205 0 1 GGAF Cc1ccc(Cl)cc1N1CCN(c2ccc(C(N)=O)c3ncncc23)CC1 144908001 AQIYXAFQILUTET-UHFFFAOYSA-N 381.867 3.017 0 1 GGAF CC(=O)N1CCC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166344935 XUSSKSYDNIKYCH-UHFFFAOYSA-N 380.448 3.019 0 1 GGAF CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[C@@H](N3CCC[C@@H]3C)C2)c(C)c1 169301300 HLXWQWSECJUMCI-UCNVEGJOSA-N 398.551 3.007 0 1 GGAF Cc1cc(N)nc(CCc2cccc([C@@H](CN)Cc3cc(C)cc(N)n3)c2)c1 169333439 ZFHITWHLDPDYFG-LJQANCHMSA-N 375.520 3.328 0 1 GGAF CCCCCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 169342293 NTMSESUVSZGDEE-MCEDAWIOSA-N 383.488 3.006 0 1 GGAF Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nc(C)cs3)c(=O)n(C)n2)nc1 221924714 HOWBPHFOWVMLBD-CABCVRRESA-N 397.504 3.043 0 1 GGAF COC(=O)c1cc(Cl)c2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc2c1 586925165 WQACFKLODBEBIA-FPLPWBNLSA-N 376.821 3.448 0 1 GGAF Cc1nc2nc(-c3ccc(NS(C)(=O)=O)cc3)[nH]c2cc1Br 586951320 WMWIOMWZIKZWGA-UHFFFAOYSA-N 381.255 3.067 0 1 GGAF O=S(=O)(c1ncccc1-c1nc2c(cnc3ccccc32)[nH]1)C(F)(F)F 587127074 LMNLATLKDKNBOE-UHFFFAOYSA-N 378.335 3.467 0 1 GGAF NS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1 587157625 CAMFFIBOHUKZGA-UHFFFAOYSA-N 395.415 3.496 0 1 GGAF COc1cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1OC 587194663 XKSKKJKJMMMFID-GFCCVEGCSA-N 378.473 3.098 0 1 GGAF O=C(N[C@H](c1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccccc1 587225010 UTLITBOKMBRXDH-HXUWFJFHSA-N 395.426 3.058 0 1 GGAF CCN(CC)c1ccc(-c2nn(CCCCO)c(=O)c3ccccc23)c(O)c1 587664840 JVXMYOYHQGRFDA-UHFFFAOYSA-N 381.476 3.388 0 1 GGAF CS(=O)(=O)c1ccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)o1 962709556 OIUXIZZCVHJBMI-KPZWWZAWSA-N 381.494 3.275 0 1 GGAF COc1ccc(CCNc2cc(-c3ccc(OC)cc3)nc3ncnn23)cc1 1772623968 IXHNGROCERQMFP-UHFFFAOYSA-N 375.432 3.463 0 1 GGAF Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](Cn1ccnc1)C(=O)OC(C)C 1857751250 SLWIOPOPAFBDLJ-INIZCTEOSA-N 398.488 3.065 0 1 GGAF O=C1c2c(O)cc(O)c3c2[C@@H]2[C@H](Oc4ccccc4[C@@H]2[C@@H]1O)c1cccc(O)c1-3 2356449339 JFOHOILWNMBZGW-ZERUQHPESA-N 388.375 3.342 0 1 GGAF CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCO)cc1 4039764 VBAFNRBKJAHJQU-UNMCSNQZSA-N 395.503 3.076 0 1 GGAF O=C(N[C@@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccsc1 26296815 VJBLWEIZGABGLL-SFHVURJKSA-N 379.416 3.433 0 1 GGAF O=C1NC(=O)C(n2cc(CCCO)c3ccccc32)=C1c1c[nH]c2ccccc12 29125828 IQPQFHCXXRZPSD-UHFFFAOYSA-N 385.423 3.072 0 1 GGAF Cc1c(C(F)(F)F)nn(-c2ccc(S(C)(=O)=O)cn2)c1OCC(C)C 28570548 KOOOLSHQBGZWRS-UHFFFAOYSA-N 377.388 3.033 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc(C(=O)CN3CCCC3)cc1)C2 40379857 OFFNATWHYOYIBE-JOCHJYFZSA-N 395.455 3.169 0 1 GGAF CN[C@@H]1[C@@H]2C=C[C@@]34[C@@H](O)[C@@H]5C=C[C@H]6C[C@]5(C)C[C@](O)(C6)[C@]3(C2)C[C@]42CCC[C@@H]12 85547447 FTAZEDHYICELSB-JCJXCTBQSA-N 381.560 3.425 0 1 GGAF biogenic,in-vitro O=C(NN1C(=O)CCS[C@H]1c1ccc(C(F)(F)F)cc1)c1ccncc1 84616620 VXXCSKWYAZTBDG-INIZCTEOSA-N 381.379 3.410 0 1 GGAF CN(C)C(=O)c1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1 95583117 QYXHDXVSRFUNRT-UHFFFAOYSA-N 380.517 3.181 0 1 GGAF CC(C)CCc1cc(NCCNc2cc(-c3ccccc3)nc(N)n2)nc(N)n1 96906122 JIMJSGKFECMTKT-UHFFFAOYSA-N 392.511 3.211 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H]1[C@H]3C[C@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@H]3[C@H]12 587819892 WWYSVDIYKZGUEL-VWSLZBRDSA-N 388.280 3.275 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccco1)CC2=O 587476396 BVPZDOPLGVLUSZ-OAQYLSRUSA-N 386.400 3.321 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(C(=O)O)OC=C1OCc1ccccc1)O2 587407600 DCQNSPSGRNZYJL-JOCHJYFZSA-N 393.395 3.338 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 586918456 MUQFAUYYVDSXGG-SFHVURJKSA-N 387.461 3.154 0 1 GGAF COc1ccc([C@H](c2ccccc2)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 587935112 GMKLUVOKRPPFBK-IBGZPJMESA-N 393.468 3.399 0 1 GGAF O=C(NCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)/C=C/c1ccccc1 13441905 LVVGWXZTDQCNDJ-RHYRFBSLSA-N 398.528 3.201 0 1 GGAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)C2(Cc4ccccc4C2)C[C@H]3[C@H]1C5 13555473 RTJUCZCOZIOVDY-PJCFOSJUSA-N 387.479 3.025 0 1 GGAF Cn1c(CNc2cccc(C(=O)NCc3ccccc3)c2)nnc1-c1ccncc1 1857628287 ACHYMSFHZAUMEM-UHFFFAOYSA-N 398.470 3.419 0 1 GGAF CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(Cl)cc2)n(C)c1C 1566164 GGZYOKCNKMFBHI-UHFFFAOYSA-N 379.844 3.366 0 1 GGAF CCC(CC)C(=O)N1CCN2[C@@H](CN(C(=O)c3ccccc3F)CC2(C)C)C1 2356375923 MRVRVAJJHCJNOP-QGZVFWFLSA-N 389.515 3.009 0 1 GGAF Cc1ccc(NC(=O)CN2C(=O)CCn3nc(-c4cccn4C)cc32)c(Cl)c1 8609484 OUWQQKCUYXGVQF-UHFFFAOYSA-N 397.866 3.226 0 1 GGAF Cc1cccc(C(=O)NCC(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 28392297 VYDREHBKCZMYBF-HXUWFJFHSA-N 399.922 3.159 0 1 GGAF O=C(NC1CCCCC1)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O 101505295 ZIGXYXLJFMRIJW-UHFFFAOYSA-N 377.444 3.213 0 1 GGAF O=C(CCCN1c2ccccc2[C@H]2C[C@H]3CNCCN3C[C@@H]21)c1ccc(F)cc1 28872194 IIYOGQVRYCSVTF-WPYKKVEZSA-N 393.506 3.439 0 1 GGAF CCOC(=O)C(C)(C)Sc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1 103693908 MGOOPOVYWMGGRE-UHFFFAOYSA-N 392.868 3.148 0 3 GGAF CO[C@@H]1OC(=O)[C@H](CC[C@]2(C)[C@H](C)CC[C@]3(C)C(C(=O)O)=CCC[C@@H]32)[C@@H]1O 2356812116 BSAZZVXOPHTIGQ-JYZRRRPDSA-N 380.481 3.137 0 1 GGAF CCOC[C@@H]1C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@@H]2C)[C@]31CCCN(C(=N)NC)C1 2356856925 SESVPRDMRMPBES-YWKPNGTOSA-N 389.540 3.097 0 1 GGAF CCN(CC)c1nc(NCCNC(=O)c2ccc(OC)cc2)c2ccccc2n1 40465765 LLXLCEQIJIGFEN-UHFFFAOYSA-N 393.491 3.327 0 1 GGAF C[C@@H](Nc1ncnc2[nH]cnc12)c1nc2ccsc2c(=O)n1-c1ccccc1 43195553 OMURHYASVBANRY-LLVKDONJSA-N 389.444 3.287 0 1 GGAF CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H]1CCCC[C@H]1N2 82213037 IERBDWKPSJZBFA-IAGOWNOFSA-N 397.523 3.211 0 1 GGAF O=S(=O)(Nc1ccc2sc(CO)nc2c1)c1ccc(Br)cc1 84740094 LKCWZFXZDKCNOI-UHFFFAOYSA-N 399.291 3.352 0 1 GGAF CCc1oc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)nc1-c1ccccc1 96930077 GIRTVDKHEZQSQQ-UHFFFAOYSA-N 388.427 3.332 0 1 GGAF CCOC(=O)[C@@]1(C(=O)Nc2ccccc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 95596843 FGCWQNPPQKMFQX-AOMKIAJQSA-N 399.443 3.388 0 1 GGAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3C[C@@H]3C2)cc1F 261177378 VEPXWJMZPIAZHG-XBFCOCLRSA-N 381.469 3.208 0 1 GGAF C/C(=C\c1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1 653746644 IWTIXSBYEURJEK-FMIVXFBMSA-N 379.807 3.437 0 1 GGAF COC(=O)[C@H]1CCCc2ccccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587444786 UYAPUMDUORKQRB-PMAPCBKXSA-N 378.424 3.464 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ncccn3)CC2)N1 587768767 MLMSYXRCGXVHAH-LBPRGKRZSA-N 391.288 3.408 0 1 GGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cncc(Br)c2[nH]1 587194579 VLQBQFGWJUDPQC-NSHDSACASA-N 398.305 3.238 0 1 GGAF CC[C@H](c1nc2ccc(CO)cc2[nH]1)n1cc(I)c(C)n1 587184396 IZVYFVFAGPBOGI-CQSZACIVSA-N 396.232 3.164 0 1 GGAF Cc1cc(-c2nc3c(O)nc(O)nc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145463 XJPBJBHFJWJLQB-UHFFFAOYSA-N 380.335 3.244 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1NS(C)(=O)=O)CC2=O 587483950 GWDSQCNTSINYBK-GOSISDBHSA-N 375.446 3.423 0 1 GGAF COC(OC)[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587742085 PZJIPJFIAURIQX-GVMAILNXSA-N 387.293 3.012 0 1 GGAF CCOC(=O)C[C@@]1(CCOC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595210 KBXLAHPJJJQCFB-GHTZIAJQSA-N 386.400 3.082 0 1 GGAF Cc1c(O)ccc2c1[C@@](C)(c1cccc(Oc3ncccn3)c1)N[C@H](C(=O)O)C2 963467738 GZIMUAAQHMVHOZ-HTAPYJJXSA-N 391.427 3.145 0 1 GGAF O=C(Nc1ncnc2[nH]cnc12)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 1772621721 QYDZDGKCIOHUFB-UHFFFAOYSA-N 395.386 3.025 0 1 GGAF CC(=O)NCC(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 12224089 IDZXKTGUPPFUCK-SFHVURJKSA-N 380.444 3.036 0 3 GGAF COc1c(Br)cnc(C[S@](=O)c2nc3cscc3[nH]2)c1C 13448692 CYVTULNNGPEPBB-OAQYLSRUSA-N 386.296 3.407 0 1 GGAF CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCN 13587109 HMTHRCVPIDPOKE-FQEVSTJZSA-N 391.556 3.025 0 1 GGAF O=P(O)(O)[C@H](CCCc1ccc(-c2ccccc2)cc1)[P@@](=O)(O)CO 13742088 UWJXVPCIZBZVJD-QGZVFWFLSA-N 384.305 3.400 0 1 GGAF Cc1c(OC[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)nc2ccccc12 13824739 CCRSFINJHYPQQP-SJORKVTESA-N 399.418 3.315 0 1 GGAF CCOc1cc(OCC)c(F)c([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 14953415 DZEPTAZKEKTXAE-QGZVFWFLSA-N 375.400 3.145 0 1 GGAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](OC(C)=O)C3=O 169342930 BDXQPLLKQVYECT-HXUWFJFHSA-N 384.384 3.394 0 1 GGAF O=C(NCCc1ccc(NC(=O)N2Cc3ccccc3C2)cc1)C1CCOCC1 166116214 PILIHFIBAGUSIP-UHFFFAOYSA-N 393.487 3.320 0 1 GGAF CN(C)C[C@@H](O)COc1ccc(Nc2nccc(Nc3ccccc3)n2)cc1 13537929 BFEVMCZTMCQMQX-GOSISDBHSA-N 379.464 3.265 0 1 GGAF CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N(C)C)cc1 770123 QDRVVBVHIKYXLX-PZJWPPBQSA-N 381.476 3.331 0 1 GGAF Nc1nc(Cl)c(N)c(NC[C@@]2(CO)CC[C@H](CCc3ccccc3)C2)n1 1658378 IJKXANOLARVCFK-IFXJQAMLSA-N 375.904 3.118 0 1 GGAF CC[C@@H]1CCCCN1CCCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C 4930674 NFVVUWPGKBLSKU-MRXNPFEDSA-N 394.519 3.404 0 3 GGAF CC(=O)O[C@@H]1C=C(C)C[C@H](O)[C@@H]2[C@@](C)(CC=C(CO)C1)CC[C@@]2(O)C(C)C 2356424766 UVSDLGIXSNUFRQ-OQEHDIDLSA-N 380.525 3.131 0 1 GGAF O=C([C@@H]1CC12CCN(c1ccncc1)CC2)N1CCN(C2CCCCC2)CC1 103243020 VBIOHMFBWGEKCI-NRFANRHFSA-N 382.552 3.165 0 1 GGAF CNc1nc(NCCCN(C)C)c2sc(-c3ccc4nonc4c3)cc2n1 103263111 ZIBAHCFPPOHWMP-UHFFFAOYSA-N 383.481 3.300 0 1 GGAF Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cccc3ccccc23)nn1 114077593 NLRLSHYJGRTPLS-UHFFFAOYSA-N 386.459 3.004 0 1 GGAF COC(=O)c1sc2ncnc(Nc3ccc(F)cc3O[C@H](C)CN)c2c1C 118736728 KWZBDRLOSYBVHP-SECBINFHSA-N 390.440 3.395 0 1 GGAF COC(=O)CC[C@]1(C)C2=C(CC[C@@H]1[C@H](C)O)[C@@H]1CC[C@H](C(=O)CO)[C@@]1(C)CC2 2356485641 OCPLRAGKPSESPG-BPOJVQFTSA-N 392.536 3.421 0 1 GGAF CC=CC=CC=CC(=O)O[C@@H]1C=C2CO[C@H](O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356764347 BIBMODCOJDZAGU-VECFNVCKSA-N 388.504 3.439 0 1 GGAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC[C@@H]3C(=O)OC[C@H]3[C@]21CO 2356803073 WRNVUAQTKPLALF-IJCWNNEKSA-N 378.509 3.332 0 1 GGAF COc1cc2c(cc1OC)[C@]1(OC)Cc3ccc4c(c3[C@@H]1N(C)CC2)OCO4 15219672 UGFHMCKKXOVCEA-FCHUYYIVSA-N 383.444 3.060 0 1 GGAF biogenic O=C(Nc1ccccc1O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 73297233 XFFNCKSCANWAST-SLDRDFCHSA-N 376.412 3.180 0 1 GGAF CCC(=O)NC[C@@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1C(=O)CC 95895359 YMMVOAVOSHGORU-VIZSFHNOSA-N 398.478 3.084 0 1 GGAF COc1cc2c(cc1OS(=O)(=O)O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 31705496 SCVLBAOQZXPGMZ-QPWUGHHJSA-N 380.462 3.302 0 1 GGAF biogenic COc1ccccc1OC(=O)C[C@@H]1C=NN2c3cc(Cl)ccc3[N+](=O)N[C@@H]12 377605795 QOYVWYKKYMNDJL-ADLMAVQZSA-N 387.803 3.021 0 1 GGAF COc1ccccc1CN1CCOc2ccc(CN3CCCC[C@H]3CO)cc2C1 299848558 SFCTUWKEXJWWPG-QFIPXVFZSA-N 396.531 3.437 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc3c(cc21)OCCCO3 587488065 XSULSHPRRMRFLZ-JOCHJYFZSA-N 395.411 3.319 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1ccc(F)cc1)CC2=O 587466151 IVMAJFAVETUJFG-HXUWFJFHSA-N 392.448 3.389 0 1 GGAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccccc1Br)[C@@H](C2)C3=O 587415023 ZIOCPGIOBCGIRY-SGTLLEGYSA-N 389.201 3.185 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(N)c(N)c21 587390664 PMPNKERTZWHXDF-QHCPKHFHSA-N 385.423 3.195 0 1 GGAF CSc1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(=N)[nH]1 587610240 BISAOVXEZBEOLH-MGPUTAFESA-N 395.440 3.194 0 1 GGAF O=Cc1cc(Br)cc(-c2nc3nc(Br)c[nH]c-3n2)c1 586982298 JSVRZPMLQDBMCA-UHFFFAOYSA-N 382.015 3.309 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(CO)cc41)[C@@H](C2)C3=O 587448201 AGBVLTRSWSDPBH-NBGIEHNGSA-N 398.414 3.423 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1C(=O)CCC1=O)(c1ccccc1Cl)O2 587377832 KMKJTFQVORVTSE-OAQYLSRUSA-N 398.846 3.240 0 1 GGAF CC(=O)c1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C 587763720 LQEAVOFRVOFLCZ-HUTHGQBESA-N 380.261 3.322 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CCN(C(C)=O)Cc4cc(F)ccc41)[C@@H](C2)C3=O 587430175 YZCXCDLYILTXCY-AVRDEDQJSA-N 381.403 3.229 0 1 GGAF CS(=O)(=O)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587006037 ANJAHXKGONWJGF-UHFFFAOYSA-N 391.250 3.044 0 1 GGAF COc1ccc(C(F)(F)F)cc1[C@@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963511043 RZWRUBVGFYMDSU-GUYCJALGSA-N 381.350 3.416 0 1 GGAF CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@]23N[C@H](C(=O)O)Cc2cc(F)ccc23)C1 962918663 JLKBRLPHJXICNH-ORYQWCPZSA-N 390.455 3.041 0 1 GGAF C[C@@]1(c2cc(CNC3(C(F)(F)F)COC3)c(F)cc2F)CCSC(=N)N1 1772590674 QAKZCMKEOGZLLP-AWEZNQCLSA-N 395.397 3.262 0 1 GGAF Cn1nc2c(c1C(=O)N1CCC[C@H](C(=O)c3cc(F)ccc3F)C1)CCCC2 13593262 ZCHYGNVGPDYRDQ-ZDUSSCGKSA-N 387.430 3.312 0 3 GGAF COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OCCN1CCCC1 169328259 OWRXKMXQBOVZFS-UHFFFAOYSA-N 387.480 3.211 0 1 GGAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CC(F)(F)F)c1 169707010 FWZXETJEJCEDFK-CQSZACIVSA-N 394.397 3.140 0 1 GGAF COc1ccccc1C1=N[C@@](C)(CC(=O)N2CCc3ccccc3C2)ON1C 205221759 YXTAODPRFRZIEU-JOCHJYFZSA-N 379.460 3.010 0 3 GGAF COC(=O)C1=C(C)N2CCCO[C@]2(C)[C@H](C(=O)OC)[C@@H]1c1cccc(Cl)c1 5757513 AEIJDYWCBYHIFL-FUHIMQAGSA-N 393.867 3.112 0 1 GGAF COC(=O)N[C@@H](/C(C(=O)OC)=C(\C)NCc1ccccc1)c1cccc(F)c1 7992492 CWNMVXGLQBFIPT-GDLUXTLDSA-N 386.423 3.460 0 1 GGAF Cc1c(OCC(=O)c2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12 13832072 SDOTXPALCDOTAP-UHFFFAOYSA-N 379.412 3.200 0 1 GGAF O=C(c1ccccc1)[C@H]1CCCN(C(=O)[C@@H]2CC(Cc3ccccc3)=NO2)C1 15002565 CMFKGPYMGQEOEQ-FPOVZHCZSA-N 376.456 3.496 0 1 GGAF CCc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@@H]3C)CC2)cc1 22941422 YIILQFFSXRRLJQ-IBGZPJMESA-N 377.532 3.344 0 1 GGAF COC(=O)[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)OC 26248097 KMNLLFDNNVDQOA-LJQANCHMSA-N 384.432 3.074 0 1 GGAF Cc1cc(Nc2cc([C@@H]3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)sn1 34892297 GZPYWHILDNLCNY-CYBMUJFWSA-N 394.508 3.105 0 1 GGAF in-vitro COc1cc(/C=C2\NC(=S)NC2=O)ccc1OCCCOc1cccc(C)c1 45367170 LSEIDVKWUNOMPF-ATVHPVEESA-N 398.484 3.197 0 1 GGAF Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)NCc3ccco3)C(C)C)co2)cc1 82069975 MUTGJAJZWOTHJZ-SFHVURJKSA-N 381.432 3.314 0 1 GGAF CC(C)=CCCN1C[C@H]2[C@H](NC(=O)[C@](O)(c3ccccc3)C3CCCC3)[C@H]2C1 101125165 AEJIBUFVDPGRBC-NXYDZRKXSA-N 382.548 3.467 0 1 GGAF CC1=C[C@@H]2[C@@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(NC(=S)NCc3ccccc3)C(=O)[C@H]21 101881041 DXHRWRQLRWGVBH-RHQZKXFESA-N 397.544 3.035 0 1 GGAF O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1cccc(-c2ccc(F)cc2)c1 114603048 IJQBLKVYWMLBBC-UHFFFAOYSA-N 395.419 3.474 0 1 GGAF Cn1c(NC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)nc2ccccc21 117691024 RPJBWKAEGZXBIP-UHFFFAOYSA-N 387.443 3.259 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cc(Br)ccn3)C2)cc1 142315974 FQDGCOPFILJOKU-LBPRGKRZSA-N 390.281 3.309 0 1 GGAF Cc1csc([C@@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(C(N)=O)(C5)C4)C2)n1 205399451 FXWMSEJMQRUSSR-JEQFBUMTSA-N 389.521 3.058 0 1 GGAF Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O 220339894 ZMFIMBNRJYXBHU-INIZCTEOSA-N 389.242 3.473 0 1 GGAF C[C@H](O)Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 586893096 UBIBTPCSHQWECL-JTQLQIEISA-N 399.394 3.306 0 1 GGAF CS(=O)(=O)/C=C\c1nc2c(Br)ccc(Br)c2[nH]1 586923233 GVUSYSGGTFRXAW-PLNGDYQASA-N 380.061 3.103 0 1 GGAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4ncncc4[nH]3)cc2)c1C 586946691 CHIOPXISEMFSQU-UHFFFAOYSA-N 379.445 3.438 0 1 GGAF CC1CCC(NS(=O)(=O)Cc2nc3cc(Cl)nc(Cl)c3[nH]2)CC1 586952009 AHUOFMPTVDZFGY-UHFFFAOYSA-N 377.297 3.263 0 1 GGAF CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 587234296 DVVVDGJYBDKPOH-LSDHHAIUSA-N 389.415 3.138 0 1 GGAF CCOC(=O)c1n[nH]cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587789161 AHJSTUGXWNQHHU-RMLUDKJBSA-N 382.233 3.112 0 1 GGAF CCOC(=O)[C@]1([C@@H]2CCCC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798527 OUJPPWSXYJVMCF-GLUANWCPSA-N 398.272 3.250 0 1 GGAF CC1([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)COCOC1 962927499 VRJBOCXMWIXUMR-SIKLNZKXSA-N 399.443 3.009 0 1 GGAF COc1c(F)cc([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c(C)c1Cl 963521373 BPISHPLCKIPMQA-WMLDXEAASA-N 379.815 3.498 0 1 GGAF O[C@H](CNCC1(c2cccs2)CCOCC1)COc1ccc(Cl)cc1 1857761517 AVFVHIJMIJEPPS-MRXNPFEDSA-N 381.925 3.479 0 1 GGAF COc1ccc(C=CC(=O)N(C)CCc2ccc(OC)c(OC)c2)cc1OC 2356570327 DRJAASQJXDFHGW-UHFFFAOYSA-N 385.460 3.435 0 1 GGAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](C)c4ccoc4C[C@H]3[C@@]12C 2356605103 UAUZSKBZFMNDSP-WPDQYRFUSA-N 376.493 3.425 0 1 GGAF CC1=C[C@H](CNS(=O)(=O)Cc2ccccc2)[C@@H](C(C)C)C[C@H]1CC(=O)O 2356861405 UIQLFVSJCKDAPF-IPMKNSEASA-N 379.522 3.435 0 1 GGAF O=C(c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCSCC1 866696 QXOACJBLXRBMNS-YPMHNXCESA-N 386.399 3.325 0 1 GGAF COc1ccc(CNC(=O)CSc2n[nH]c3c4cc(F)ccc4nc-3n2)cc1 101791718 FVEMOLOMYHGRMI-UHFFFAOYSA-N 397.435 3.014 0 1 GGAF C[C@H](F)c1ccc(S(=O)(=O)N2CCN(CCc3ccncc3)C[C@H]2C)cc1 58566858 GXBKOWOGUVVAOL-SJORKVTESA-N 391.512 3.050 0 1 GGAF O=C(CCCN1CCN(CC[C@@H]2CC3=CC=C[C@H]3C2=O)CC1)c1ccc(F)cc1 26962988 RFZKUFSNWLGGQV-IFMALSPDSA-N 396.506 3.498 0 1 GGAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)NCCC(F)(F)F)O3)c1 61904578 SYSLVZJJXJATQK-INIZCTEOSA-N 393.365 3.079 0 3 GGAF NCc1nc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)co1 66058821 NAZVAZXLVVHPGR-IBGZPJMESA-N 388.475 3.484 0 1 GGAF C[C@@](O)(CS(=O)(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 73296071 OHMGGARZRWERKA-QGZVFWFLSA-N 378.837 3.071 0 1 GGAF O=S(=O)(c1cccc2ccccc12)c1cccc2oc(N3CCNCC3)nc12 40860917 UADPBBCFLSQPJT-UHFFFAOYSA-N 393.468 3.223 0 1 GGAF O=C1c2ccccc2CCCN1CCCCN1CCN(c2ccccn2)CC1 40407186 ZEZPYBMUPDTITR-UHFFFAOYSA-N 378.520 3.072 0 1 GGAF CCOP(=O)(OCC)[C@H](OC(C)=O)c1cc2ccccc2n2nnnc12 49068618 QWNYQLPKEVHOFE-INIZCTEOSA-N 378.325 3.105 0 1 GGAF N[C@@H]1CCC[C@@H](Nc2ccc3cccc(-c4cc5c([nH]4)CCNC5=O)c3n2)C1 222367913 RMGUESBYRVXIQU-HUUCEWRRSA-N 375.476 3.198 0 1 GGAF CN(C)C(=O)c1ccc(CN2CCc3cc4nc(N)sc4cc3CC2)cc1 95580686 DJFZOPTYMZKMLN-UHFFFAOYSA-N 380.517 3.181 0 1 GGAF COC(=O)[C@H]1C[C@H]1c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 261142116 NGAGWVSXXQKIEL-BNOWGMLFSA-N 379.420 3.117 0 1 GGAF CCOC(=O)CS[C@@H]1NC(=O)[C@H]2[C@H](N1)c1ccccc1CC21CCCCC1 618016636 XJHPTSMFQIWCBR-GGPKGHCWSA-N 388.533 3.150 0 1 GGAF O=C(O)CCNc1nc(-c2nccs2)cc(N2CCc3ccccc3CC2)n1 653702448 SEFJUGMVOWTWKT-UHFFFAOYSA-N 395.488 3.092 0 1 GGAF COc1ncccc1C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867191 ACGUNLPUJBMHKA-UHFFFAOYSA-N 378.310 3.065 0 1 GGAF COc1cc(OC)c2[nH]c([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)nc2c1 587201871 CNCWEMLTVLDATF-OAHLLOKOSA-N 399.403 3.022 0 1 GGAF CCOC(=O)[C@H](CC(C)=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598406 UOTJHSRREAKUFW-LZFQIVBZSA-N 398.411 3.271 0 1 GGAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc[nH]c(=N)c3[nH]1)N2 587033007 WYSZGVYFLNFBSP-ISAHRAOESA-N 386.506 3.497 0 1 GGAF CC(=O)c1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C 587581764 MJWMKMTVDDHSAF-UTKZUKDTSA-N 378.384 3.205 0 1 GGAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1[C@@H]3[C@@H]4[C@@H]5C[C@@H]([C@H]41)[C@@H]2[C@@H]5C31OCCO1 587536876 XUERYGKXJUQRQG-QPPOOUFFSA-N 390.479 3.400 0 1 GGAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(=N)[nH]cc3[nH]2)c(C2CC2)n1 587231996 KLIYWEMGXMXZQP-UHFFFAOYSA-N 380.452 3.335 0 1 GGAF Cc1ccnc2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc12 586950606 HMEKTSPEHCHAIV-UHFFFAOYSA-N 385.493 3.199 0 1 GGAF O=C1CSC[C@@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)N1 587042253 BQZTXTWACGPSPD-ZETCQYMHSA-N 396.188 3.128 0 1 GGAF COC(=O)C[C@@]1(c2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619736 YYTNSVWQFVNCPW-RXVVDRJESA-N 380.352 3.405 0 1 GGAF Cc1cc2c(cc1O)[C@]1(CN(Cc3ccccc3)CC[C@@H]1C)N[C@H](C(=O)O)C2 963523585 IREQISKAKAFKGF-ITSWEJNFSA-N 380.488 3.037 0 1 GGAF COc1ncc(C)cc1[C@@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962668815 OWIQZMDHIFJFBX-PGRDOPGGSA-N 377.444 3.135 0 1 GGAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1ncc(Br)cn1 963065998 KVEUTYKQBYSMKD-GOSISDBHSA-N 385.265 3.205 0 1 GGAF C[C@]1(CC(=O)c2cc(Cl)ccc2O)N[C@H](C(=O)O)Cc2cccc(F)c21 962915887 VXOACNAXFTWJKW-IFXJQAMLSA-N 377.799 3.272 0 1 GGAF CCOC(=O)CC[C@@]1(CC(=O)OCC)c2c(F)cccc2C[C@H]2CCCN21 963099517 HYGLMBMCDBKWBZ-IIBYNOLFSA-N 377.456 3.338 0 1 GGAF Cc1cccc(C)c1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 13764556 JBYMTXDPDHHAHR-UHFFFAOYSA-N 395.551 3.024 0 1 GGAF CCN(CC)CCC[C@H](C)Nc1c(N[C@H](C)CCCN(CC)CC)c(=O)c1=O 169326108 DUMPTKHXGWYDCR-HDICACEKSA-N 394.604 3.127 0 1 GGAF C[C@]12CC[C@H]3[C@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCOCC1 169714125 KHIHAGSEMMQNCV-QBDGDHAASA-N 386.536 3.118 0 1 GGAF CCCCCCN(C)CCNC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1 1857547454 GIUZQCRIIBPLIJ-UHFFFAOYSA-N 384.480 3.084 0 1 GGAF CC(=O)Nc1ncc(CN2CC[C@]3(CCN(c4cc(C)nc(C)c4)C3)C2)s1 1857595437 IXQVLWJKRQGPGL-FQEVSTJZSA-N 385.537 3.216 0 1 GGAF N[C@@H](CCc1ccccc1)c1csc(Nc2cc(NCCCO)ncn2)n1 1857597307 LZPWYQABGPMMFC-HNNXBMFYSA-N 384.509 3.104 0 1 GGAF Cc1cn2c(-c3cn[nH]c3)cnc2c(=Nc2cc(Cc3ccncc3)ns2)[nH]1 1857758513 OUPQYNOPVRTMNB-UHFFFAOYSA-N 388.460 3.036 0 1 GGAF COc1cc(C(=O)c2cnn(-c3ccccc3Cl)c2N)cc(OC)c1OC 1857768243 ANQGSKCNUQZVDU-UHFFFAOYSA-N 387.823 3.365 0 1 GGAF O=C(NCc1ccc(Cl)cc1)c1cccc2c1C(=O)N(C[C@@H]1CCCO1)C2 6770046 TUYHBRHINUANJA-KRWDZBQOSA-N 384.863 3.405 0 3 GGAF COc1ccc(CCN2CN=C(SCc3ccc(F)cc3)NC2)cc1OC 58541337 NRUFUIWSWFGMFA-UHFFFAOYSA-N 389.496 3.495 0 1 GGAF O=C(c1ccco1)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 28861819 XOUTXLYWMUBXJK-UHFFFAOYSA-N 393.104 3.256 0 1 GGAF CCOC(=O)N1CCN(C(=S)Nc2ccnc3cc(Cl)ccc23)CC1 28950271 BGZBPGBMZDNHFL-UHFFFAOYSA-N 378.885 3.359 0 1 GGAF COc1ccc(C2=NN(c3nnc(S)n3-c3ccc(C)cc3)C(=O)CC2)cc1 66066073 KGGWPFAQRLZAGZ-UHFFFAOYSA-N 393.472 3.404 0 1 GGAF C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)c1ccc(NS(C)(=O)=O)c(F)c1 73221881 DAXQIKPAMNQFOX-SCLBCKFNSA-N 390.480 3.495 0 1 GGAF CN1[C@H]2CC[C@@H]1[C@H](C(=O)OCCc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 36177261 WSTBUYSFCXEAIP-CBPXPLCBSA-N 393.483 3.481 0 1 GGAF O=C(c1cn(CCNc2ccnc3cc(Cl)ccc23)nn1)[C@H]1CCCCO1 1911579684 VQKHTEFHSSGPFO-GOSISDBHSA-N 385.855 3.344 0 1 GGAF CCOc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 71319100 URSKGEZFWCRYMD-GOSISDBHSA-N 377.488 3.480 0 1 GGAF Cc1cccc([C@H]2CNC[C@@H]2C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)c1 49037709 SVBMNLGNCADSMP-SJORKVTESA-N 381.863 3.432 0 1 GGAF Cc1cccc([C@@H]2CNC[C@@H]2C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)c1 49037707 SVBMNLGNCADSMP-IRXDYDNUSA-N 381.863 3.432 0 1 GGAF COc1ccc(N2C(=O)O[C@@H](Cc3ccc(O)c(Br)c3)C2=O)cc1 82157962 HMPYSWFCBXLAPI-HNNXBMFYSA-N 392.205 3.258 0 1 GGAF CNC(=O)C1CCN(c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)CC1 143330681 CQTDCDPXNRPWJD-FQEVSTJZSA-N 390.405 3.428 0 1 GGAF CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3ccc(Cl)cc3)cc2)CC1 96172312 JZZKJUFLOBJFFA-RTWAWAEBSA-N 383.923 3.227 0 1 GGAF CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)CO)c1ccc(C(C)(C)C)cc1 95595231 BQTQYFFQUJIERR-FQEVSTJZSA-N 397.519 3.360 0 1 GGAF O=C(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccn1 95894458 SDDANBMJLPDWNM-VJBWXMMDSA-N 385.467 3.071 0 1 GGAF CCOC(=O)[C@H]1[C@@H](C(=O)c2ccc(OC)cc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 473152663 UYVHOFFHBDHGRB-CSODHUTKSA-N 399.830 3.231 0 1 GGAF CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OC/C=C/c2ccccc2)O1 2178317127 CLXOVXBDVLYCKL-SJFGVQDHSA-N 376.449 3.113 0 1 GGAF COc1cccc(OC)c1C(=O)c1c(CO)oc2cc(Br)cnc12 587276368 NEYNTNGHEOVOTL-UHFFFAOYSA-N 392.205 3.331 0 1 GGAF CCOC(=O)c1cc(OCC)n(-c2n[nH]c(-c3ccccc3F)n2)c1OCC 587946904 YVNLQOLWDCGSIJ-UHFFFAOYSA-N 388.399 3.376 0 1 GGAF NS(=O)(=O)c1cccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 587158108 JQJHXQMVMZQOEV-UHFFFAOYSA-N 395.415 3.496 0 1 GGAF Cc1c(I)cnn1[C@@H](C)c1nc2cc(Cl)cnc2[nH]1 587183098 VKKNMFPWIDTPSO-ZETCQYMHSA-N 387.612 3.330 0 1 GGAF O=C1c2ccc(O)cc2O[C@@](c2cccs2)(C(O)O)[C@@H]1c1ccc(F)cc1 587371331 BYRFTJIUIVFBMP-YLJYHZDGSA-N 386.400 3.158 0 1 GGAF COc1ccc([C@@]2(C[C@@H](C)C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587443195 PHDUQDATQUZXPX-LPCJOIQWSA-N 382.412 3.458 0 1 GGAF CC1=C([C@]2(C)NC3(CC3)Cc3ccc(Br)cc32)CN2NN=NC2=N1 961315355 BQSJVTLZTORUEZ-MRXNPFEDSA-N 387.285 3.174 0 1 GGAF CCO[C@]1(C)OC(=O)C(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1 13488590 RTCBYXJWDJFNFR-HXUWFJFHSA-N 390.432 3.450 0 1 GGAF CN1C(=O)[C@H](NC(=O)Cc2ccccc2)N=C(c2ccccc2)c2ccccc21 13606600 GUWGGVBBJNORBJ-HSZRJFAPSA-N 383.451 3.185 0 1 GGAF O=C(CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NC[C@@H]1CCCO1 14984008 OYMSFDHQRJBRNE-NZQKXSOJSA-N 380.488 3.107 0 1 GGAF O=C(c1ccc2ccccc2n1)c1[nH][nH]c2c(O)n(-c3cccc(F)c3)c(=O)c1-2 169692317 LZEMOJMGAWNCMM-UHFFFAOYSA-N 388.358 3.222 0 1 GGAF CCCN(CC1CC1)C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O 206491702 OSHHITCVWWBNIH-UHFFFAOYSA-N 390.487 3.031 0 3 GGAF Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2ccncc2)cc1 1857539453 RVBGFRCCTOHYCF-FPYGCLRLSA-N 390.418 3.385 0 1 GGAF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC 4051597 UQYSELMHEXNYNV-LFUWLEDKSA-N 396.487 3.310 0 1 GGAF CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 4051957 GHKIVVYJKYPADF-TZIWHRDSSA-N 396.487 3.312 0 1 GGAF CC(C)C[C@@H]1Nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2NC1=O 6785414 ASPGITKPVRWWDW-KRWDZBQOSA-N 381.432 3.124 0 3 GGAF CC(=O)N1CCOc2cc(S(=O)(=O)N[C@H](C)c3ccccc3)c(Cl)cc21 6893153 XHNMZCCKOSVTOZ-GFCCVEGCSA-N 394.880 3.125 0 3 GGAF COc1cccc(C[C@@]2(CO)CCCN(Cc3cc(=O)c4ccccc4[nH]3)C2)c1 20209526 ZHTMNCMSWUCOJF-DEOSSOPVSA-N 392.499 3.354 0 1 GGAF COc1ccnc(N2C[C@H]3CN(C(=O)c4c(C)ccc5ccccc45)C[C@@H]3C2)n1 116821757 YSPJHPRRYBJEGJ-QZTJIDSGSA-N 388.471 3.155 0 1 GGAF COc1ccc(C(=O)N2CCC[C@]2(C)C(=O)NCC(C)C)cc1C(F)(F)F 61907608 ZVZIEILEMJTHJV-GOSISDBHSA-N 386.414 3.481 0 3 GGAF COc1cc2ncn(-c3cc(OCc4ccoc4)c(C(N)=O)s3)c2cc1OC 40919099 MTTPHACIXDOJGQ-UHFFFAOYSA-N 399.428 3.375 0 1 GGAF Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4cccc4)C[C@@H]32)n1 145728590 XBMJYTBILCSPGW-RXVVDRJESA-N 387.487 3.235 0 1 GGAF CCOC(=O)c1sc(NC(=O)CN2CCC(c3ccccc3)CC2)nc1C 653884592 DNKNIKFEPLNKKC-UHFFFAOYSA-N 387.505 3.446 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3ccccc3OC2=O)N1 587843130 SACRBEUNOIKARX-MGNBDDOMSA-N 376.225 3.479 0 1 GGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1C[C@H]3[C@@H](C(=O)O)[C@@H]1C(=O)O 587207710 VPGBYARLZWFPBK-JSVGYJQLSA-N 385.375 3.432 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCCO 587596805 PEGVMXSPYKAOPZ-KNQAVFIVSA-N 378.380 3.466 0 1 GGAF O=C(O)c1cc(F)cc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006383 HWMPRYNAVYFJCJ-UHFFFAOYSA-N 375.157 3.477 0 1 GGAF COc1ccc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cn1 587923947 UIDYETPMDYITIQ-UHFFFAOYSA-N 375.475 3.277 0 1 GGAF CN(C)S(=O)(=O)c1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)o1 586931447 UKZZYBOOKZSNJG-UHFFFAOYSA-N 395.440 3.304 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccnc(Cl)n4)nc1C)[C@@H](C2)C3=O 587418490 BMRWVASKYPUVRL-SGTLLEGYSA-N 382.807 3.121 0 1 GGAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(N)c(N)cc2[nH]1 587181262 PQKOAOPYDZGGLY-ZETCQYMHSA-N 396.236 3.166 0 1 GGAF CC(=O)C[C@@]1(c2ccncc2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962713179 TXOPNMSSHVSQPR-AEFFLSMTSA-N 396.340 3.061 0 1 GGAF O=S(=O)(c1cccc(F)c1)c1cnc2cc(F)ccc2c1N1CCOCC1 1772627966 VEDZUCIYANPYCL-UHFFFAOYSA-N 390.411 3.182 0 1 GGAF O=C(NCc1cccnc1)c1ccc(N2CCC(NCc3ccco3)CC2)cc1 11785523 GGIYRLCJCQWWHX-UHFFFAOYSA-N 390.487 3.363 0 1 GGAF C[C@]1(CN)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 13883341 QOAAICZDJBXQGA-LJQANCHMSA-N 393.846 3.002 0 1 GGAF CCNC(=O)Nc1nc2cc(-c3cccnc3)c(NC[C@H]3CCOC3)nc2s1 169340111 GEPFIWBFZDKYLW-GFCCVEGCSA-N 398.492 3.343 0 1 GGAF C[C@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)C1CC1 169704211 HRNZKBRSPYYSBU-SCLBCKFNSA-N 394.454 3.133 0 1 GGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCCCOCCCC 4547154 NOFPOIUJBNGZEC-JDZHNHJDSA-N 382.545 3.062 0 1 GGAF Cc1ccc2c(N)c(C(=O)NCCc3ccc([C@H]4CCNC4)cc3)sc2n1 1857580258 LOXAOCPVUHKVJO-INIZCTEOSA-N 380.517 3.236 0 1 GGAF CCN(C)C(=O)Oc1cccc(CCNC(=O)c2cc(=O)c3ccccc3o2)c1 1857745027 TWEUHVZHTLEEIL-UHFFFAOYSA-N 394.427 3.216 0 1 GGAF COC(=O)c1ccc(NC(=O)CCc2c(C)nn(-c3ccc(F)cc3)c2O)cc1 103672389 GCMGPKXLEDVZSX-UHFFFAOYSA-N 397.406 3.383 0 1 GGAF CC(=O)S[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1ccc2ccccc2c1 27311668 AXTKUUGLRMYPBN-MSOLQXFVSA-N 399.468 3.137 0 1 GGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ncccc4-c4ccccc4)C[C@@H]3C2)n1 116826649 DBSXIIPDJNLICY-WOJBJXKFSA-N 399.498 3.364 0 1 GGAF O=C(NCc1ccccc1)c1cc([C@H]2CCCCN2C(=O)OCCF)on1 61928948 FGLIKUPMVBPORA-MRXNPFEDSA-N 375.400 3.238 0 3 GGAF CCCC[C@@H]1[C@H]2C[C@@H]3[C@@H]4C(=C[C@@H](CN13)O2)OC(=C1OC(=O)C(C)=C1OC)[C@@H]4C 2356471318 OWMYSJJZAWEDSL-AMSNRHAMSA-N 387.476 3.256 0 1 GGAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4sccc4-n4cccc4)C[C@H]3C2)n1 116821929 DVFNTCCOGHJMNT-IRXDYDNUSA-N 393.516 3.154 0 1 GGAF COc1cc(C2=Cc3ccc(OC(C)=O)cc3OC2)c(OC)cc1OC(C)=O 2356713759 REHUCNCGWZEUFR-UHFFFAOYSA-N 384.384 3.487 0 1 GGAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2C(=O)CC[C@H](C)[C@@]21C 2356847059 OTGXSXSAUGEVPE-AHGYPJADSA-N 376.449 3.106 0 1 GGAF CC(=O)N1CCc2cc(C(=O)CN3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc21 36092317 CFJZTZMRSJEZQI-SFHVURJKSA-N 391.515 3.297 0 1 GGAF CC1=CC=C[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H](C(=O)c3cccs3)N12 73168588 SFCREXJHGOKVDR-WNHJNPCNSA-N 390.464 3.263 0 1 GGAF CCCn1c(CN2C(=O)COc3c(C)cc(C)cc32)nnc1-c1ccccn1 71341421 MVJVDYKYYNCJKS-UHFFFAOYSA-N 377.448 3.293 0 1 GGAF CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(N)ccc12)C(=O)O 43014860 ZTPDQAOEZMYSGR-INIZCTEOSA-N 378.475 3.024 0 1 GGAF Cc1ccc(-n2cccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)n1 226033907 ZWQZGMRXIPTTDL-BZSNNMDCSA-N 389.459 3.043 0 1 GGAF COc1ccc2c(c1)OC1(CCN(C(=O)c3cccc4cn[nH]c34)CC1)CC2=O 49115008 NCYPDXNHSBTLMX-UHFFFAOYSA-N 391.427 3.212 0 1 GGAF COc1ccccc1Oc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncn1 82068261 BDLWROOLPUAZCG-UHFFFAOYSA-N 386.452 3.335 0 1 GGAF Cn1cc(-c2ccc(CN3C(=O)[C@](O)(C(F)(F)F)c4ccccc43)cc2)cn1 95595689 QWNDWUZCYJENRY-IBGZPJMESA-N 387.361 3.384 0 1 GGAF O=C(c1cnccn1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 95878162 ZAROACMCMGCNBC-VOQZNFBZSA-N 386.455 3.133 0 1 GGAF CC(C)n1nc(-c2cnc(N)c(C3CC3)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21 148075991 FPSNMBXILAWAEC-WGMWDUQUSA-N 379.508 3.030 0 1 GGAF CC(=O)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569281 GAYYMWMYBWMGND-NFBKMPQASA-N 389.407 3.385 0 1 GGAF C[C@@]1(c2cc(C(=O)O)[nH]n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344164 GCNPGJVNPBRACB-PXNSSMCTSA-N 382.347 3.227 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3c(C(=O)O)cnn3c1C)CC2=O 587485928 SDBHCUWPQQNGEA-OAQYLSRUSA-N 395.415 3.275 0 1 GGAF CN(C)c1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587275505 CGMLUIYKDDCGLM-UHFFFAOYSA-N 375.222 3.380 0 1 GGAF CCCS(=O)(=O)N1CCC(c2nc3cccc(Br)c3[nH]2)CC1 586952696 MAGFBTSFKPYMSI-UHFFFAOYSA-N 386.315 3.245 0 1 GGAF CCOC(=O)c1ccc(NC(=S)n2ncc3ccc(Cl)cc3c2=O)cc1 587653717 FOXMYLAYGRETAB-UHFFFAOYSA-N 387.848 3.472 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2cnn(C)c2)N1 587763983 NUUDLQCEVGSLBV-BTDLBPIBSA-N 380.261 3.344 0 1 GGAF Cc1c(Br)ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc12 586938934 LRKDJYOSIWVPMF-UHFFFAOYSA-N 397.298 3.316 0 1 GGAF CC(C)(C)OC(=O)N(Cc1nc2ccc(CCO)cc2[nH]1)C[C@@H]1CCCO1 587197023 GRIMZKQSQAFRMZ-HNNXBMFYSA-N 375.469 3.014 0 1 GGAF CC(=O)O[C@@H]1[C@H](NC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C 5962513 JJNKLEBFZOYUFU-UYAOXDASSA-N 387.432 3.099 0 1 GGAF COc1cccc(-c2nnc3n2N=C(c2c(OC)cccc2OC)CS3)c1 13828665 SVSQKCFWNBTRCV-UHFFFAOYSA-N 382.445 3.329 0 1 GGAF O=C(O)Cc1nn(Cc2nc3c(Cl)cccc3s2)c(=O)c2ccccc12 13860739 FHGBIRPZGCDNHK-UHFFFAOYSA-N 385.832 3.335 0 1 GGAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@@H]1c1cccc(-n2ccnc2)c1 169714448 CAUXGPSIQSZXEE-MJGOQNOKSA-N 381.432 3.057 0 1 GGAF Cc1c(C(=O)NC2CC2)oc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc12 2459700 XAWJBSNRRLNNLR-LBPRGKRZSA-N 376.478 3.054 0 1 GGAF O=C(O)CC1(c2ccc(OC[C@@H]3COc4ccc(Cl)cc4O3)cc2)COC1 1857654706 JSMAJKPIETZBGJ-MRXNPFEDSA-N 390.819 3.302 0 1 GGAF CC1(C)OCCn2c1nc(-c1ncc(Cc3ccc(F)cc3)s1)c(O)c2=O 116818130 QCUHKQOVNHPOQD-UHFFFAOYSA-N 387.436 3.068 0 1 GGAF CC(=O)N1C[C@H]2C[C@H]1CN2CCc1ccc(Oc2nc3ncccc3s2)cc1 101597688 QRMXENQNOMHOSJ-SJORKVTESA-N 394.500 3.331 0 1 GGAF OCC[C@@H]1CCCCN1c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 9669231 XIOYNEUOEZTFMC-INIZCTEOSA-N 382.439 3.202 0 1 GGAF O=C(Nc1ccc(O)cc1)C1=CC2=N[C@@H](c3ccco3)C[C@H](C(F)(F)F)N2N1 100443820 FEXNXFOTFBWMTL-IUODEOHRSA-N 392.337 3.102 0 3 GGAF O=C(O)c1cn(C2CC2)c2c(F)c(N3Cc4cccnc4C3)c(F)cc2c1=O 26959278 ZEIRRIXAYZFMKO-UHFFFAOYSA-N 383.354 3.228 0 1 GGAF CCc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)cn1 116698027 NKWGBOOLJXYPQR-UHFFFAOYSA-N 377.452 3.485 0 1 GGAF C[C@@H]1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CCC(=O)[C@]56CO[C@H](C[C@H]1[C@@H]2OC(C)(C)O4)[C@@H]36 503897807 MCAQGJLESVGGDM-KLMBUWPWSA-N 388.504 3.142 0 1 GGAF biogenic CC(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72141530 GLNXVPBVHWXUSO-SFHVURJKSA-N 378.398 3.185 0 1 GGAF COc1ccc2c(c1)C[C@H](c1nc3c(F)cc(-c4ccnc(N)n4)cc3[nH]1)CO2 40846343 LGNRWEUQQPIDQM-ZDUSSCGKSA-N 391.406 3.469 0 1 GGAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccccc2)c1 143762142 HBNFJPMMDNAWAE-GOSISDBHSA-N 389.459 3.112 0 1 GGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCC3)[C@@H]2CN(CC)C(=O)CC)cc1 95667516 TZEUCKCBNOSTOD-PFCDCNMWSA-N 398.547 3.434 0 1 GGAF N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3c(-c3cccnc3)ccc2=O)cc1 25410804 YKPOTGGRJQQYFV-XLIONFOSSA-N 396.450 3.041 0 1 GGAF biogenic CS(=O)(=O)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587007380 JTAMBAANIISXHA-UHFFFAOYSA-N 391.250 3.044 0 1 GGAF COC(=O)c1ccc(Oc2ccc3nc(C4=C(N)C(C)(C)OC4=O)[nH]c3c2)cc1 587255567 QNXPGVJQSNRTBS-UHFFFAOYSA-N 393.399 3.147 0 1 GGAF COC(=O)[C@@H]1SCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587376691 XVYOZECKCCGMCD-KPFFTGBYSA-N 388.416 3.308 0 1 GGAF CCCCS(=O)(=O)N[C@H](c1nc2cc(Br)ncc2[nH]1)C(C)C 586933471 SMBLCKRHDVYENQ-ZDUSSCGKSA-N 389.319 3.137 0 1 GGAF CC1CCC(NS(=O)(=O)Cc2nc3cccc(Br)c3[nH]2)CC1 586952087 BOJUMGCLUPAFTC-UHFFFAOYSA-N 386.315 3.324 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)O)n(C)c2)N1 587752285 QOFIJIYAXBSNBZ-XLFHBGCDSA-N 381.245 3.423 0 1 GGAF COC(=O)c1cccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 587133154 YTXMKZPGUUCODJ-LLVKDONJSA-N 381.379 3.319 0 1 GGAF C=C(C(=O)O)c1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O 587941125 RRCIRVQJCZBXMM-UHFFFAOYSA-N 375.178 3.297 0 1 GGAF CN1CCN(c2ccc3nc([C@@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3c2)CC1 587039206 CTPDHPSAASJQGQ-SFTDATJTSA-N 393.560 3.261 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cncn2)(C2(Cl)CC2)N1 587692037 JIQLQHCPMANOSC-MGPLVRAMSA-N 399.695 3.381 0 1 GGAF Cc1nn(CCO)c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587755989 IYBMPWVESGXMLP-XYZCENFISA-N 382.277 3.017 0 1 GGAF Cc1c(O)ccc2c1[C@@](CCCCC(=O)O)(c1ccccc1)N[C@H](C(=O)O)C2 963473225 SFKUCGIXSHWSLX-HTAPYJJXSA-N 383.444 3.188 0 1 GGAF COc1cccc2cc3c(nc12)[C@@](C)(c1ccc2c(c1)NC(=O)[C@H](C)O2)NCC3 963060342 SHFDNBLWKUZLNY-ZAMGYDSWSA-N 389.455 3.372 0 1 GGAF Cc1cccc(C)c1NC(=O)[C@H]1[C@@H](C(=O)NCc2ccccn2)[C@@H]2C=C[C@H]1C2 12566055 YKZLNUQIVRBFHZ-LCLWPZTBSA-N 375.472 3.392 0 1 GGAF CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CF 13606557 QZIRYCUFVRNOJW-IRXDYDNUSA-N 394.487 3.192 0 1 GGAF Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(F)cc2F)c1-n1cccc1 14975707 FZQBRCQBOFAGPT-UHFFFAOYSA-N 385.418 3.380 0 1 GGAF C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2[C@H]3C(C)=CC[C@@H](OC(C)=O)[C@]3(C)CC[C@H]21 169668317 TURJFYBHQNTMCA-HCLFBCSZSA-N 390.476 3.494 0 1 GGAF CCCCNC(=O)[C@]1(C(=O)C2CC2)CC(c2ccccc2C(F)(F)F)=NO1 203473953 CSGVLVITCFGBGI-GOSISDBHSA-N 382.382 3.464 0 3 GGAF CN(C(=N)Nc1cc([S@@](C)=O)ccc1Cl)c1cccc([S@](C)=O)c1 101478845 AKPIPDYJVYYOIY-RPWUZVMVSA-N 383.926 3.298 0 1 GGAF C[C@H]([C@@H](O)c1ccc2nc(O)oc2c1)N1CCC(O)(c2ccc(F)cc2)CC1 28952062 SBUUMDUQHYKBLC-BFUOFWGJSA-N 386.423 3.078 0 1 GGAF O=C(C=Cc1ccccc1)O[C@@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@H]2C1 2356460302 PUFYZCKVLOYPHL-PVIWCNJMSA-N 394.515 3.107 0 1 GGAF CCC=CC[C@@H]1[C@H](O)CC[C@@H]1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 2356682580 NWLLUBUSXVWCKJ-NSGGIEJNSA-N 398.503 3.413 0 1 GGAF CC[C@H](C)[C@@H]1OC(=O)[C@@H]2C[C@@]3(CC=C(C)C)c4ccccc4N(C=O)[C@@H]3N2C1=O 2356786089 YXMCZBUWKBOYJA-KYAJTYIHSA-N 396.487 3.156 0 1 GGAF COc1ccc(-c2[nH]ncc2CN(C)Cc2ccc3nonc3c2)c(OC)c1 71928202 NUHPHZIWOCNZGS-UHFFFAOYSA-N 379.420 3.262 0 1 GGAF CC(C)CC(=O)NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 72101484 VYHZJHFCHCIOOQ-OAQYLSRUSA-N 388.462 3.471 0 1 GGAF COc1c2c3c(c(OC)c1OC)-c1cc4c(cc1C[C@@H]3N(C(C)=O)CC2)OCO4 14652932 GWCVYMLSGTZAHQ-HNNXBMFYSA-N 397.427 3.110 0 1 GGAF biogenic COCC(COC)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O 43062290 REFXTPVTKVNEPN-UHFFFAOYSA-N 381.860 3.100 0 1 GGAF Cc1ccc([C@@H]2SCC(=O)N2NC(=O)CSc2nc3ccccc3[nH]2)cc1 49051035 JXTIUTHPYUGYHU-SFHVURJKSA-N 398.513 3.269 0 1 GGAF CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1 138522049 VLXJANUFVJNWKB-IDBRTZOQSA-N 382.497 3.401 0 1 GGAF CCCc1nnc(SCc2ccccc2)n1N1C(=O)c2ccccc2C1=O 84724551 MSOCTZXIWRRTFB-UHFFFAOYSA-N 378.457 3.455 0 1 GGAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCCC1)c1ccc(C(F)(F)F)cc1 43526958 MVDNTCKVTXVYBA-ZIFCJYIRSA-N 395.469 3.241 0 1 GGAF biogenic COc1cc(C(=O)O)ccc1O[C@@H](C)Cc1cc(OC)c(OC)c(OC)c1 49181058 HOXFNEPVXKQDSO-LBPRGKRZSA-N 376.405 3.429 0 1 GGAF biogenic COc1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc1OC 299839368 YDGAIFLOOACQIQ-UHFFFAOYSA-N 390.487 3.425 0 1 GGAF CCCCC[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)SC[C@H](N)C(=O)O 299853806 QFKIYSGYJHNORJ-IRXDYDNUSA-N 397.537 3.387 0 1 GGAF CCOC(=O)c1nn(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580069 GYAXXKCKLFRPKH-JXFKEZNVSA-N 394.383 3.005 0 1 GGAF COC(=O)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587775357 ZJMFSVJSSXQHTB-ABKXIKBNSA-N 379.229 3.393 0 1 GGAF CC[C@H](c1nc2cccc(O)c2[nH]1)n1cc(I)c(C)n1 587184314 IHANRCQBWHFPAR-LLVKDONJSA-N 382.205 3.377 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 587089060 WZICCFJJKQSQKK-LBPRGKRZSA-N 398.479 3.391 0 1 GGAF CC(C)(C)OC(=O)N(Cc1nc2cc3c(cc2[nH]1)OCO3)C[C@@H]1CCCO1 587197654 RJJIMEBLSWUMBL-LBPRGKRZSA-N 375.425 3.208 0 1 GGAF COc1ccnc([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1 962658546 DFBGGNQESVYVQB-VXKWHMMOSA-N 377.444 3.001 0 1 GGAF COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4OC)OCO5)OC[C@H]23)ccc1O 14641266 ZQLNHQLSVAXYHY-YXUGBTPSSA-N 386.400 3.213 0 1 GGAF O=C(C[C@@H]1CNC(=O)c2cc(-c3ccc(F)c(F)c3)cn21)NCc1ccco1 169332467 RDHJWXPEAUFUNK-CQSZACIVSA-N 385.370 3.017 0 1 GGAF C/C=C(/C)C(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@H](C)[C@H]12 169640339 LUDOQAPWTMIOHM-QTEPAVADSA-N 390.476 3.350 0 1 GGAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2C(F)(F)F)c1 169707028 SVUBLYCTTBTAMX-CYBMUJFWSA-N 380.370 3.054 0 1 GGAF O=C(Nc1ccc(C(=O)N2CC[C@@]3(CCCN3)C2)cc1)N1Cc2ccccc2C1 167269428 ONVOUVMUYDDRRC-QHCPKHFHSA-N 390.487 3.202 0 1 GGAF CC(C)(C(=O)NCc1ccccc1)n1cc(NC(=O)Cc2ccccc2)cn1 205228612 MCQLLCYSYLXLPL-UHFFFAOYSA-N 376.460 3.116 0 3 GGAF COc1cc(OC)c2cc3[n+](cc2c1)[C@H](CC(=O)O)Cc1cc2c(cc1-3)OCO2 1857620986 MQKIZTAXMINMEB-AWEZNQCLSA-O 394.403 3.112 0 1 GGAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCCOC 4049632 PASHBLHEUQRNGC-FPOVZHCZSA-N 382.460 3.330 0 1 GGAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 4051958 GHKIVVYJKYPADF-CTNGQTDRSA-N 396.487 3.312 0 1 GGAF COc1cccc(N2CCN(C(=O)CC34C[C@@H]5C[C@@H](CC(O)(C5)C3)C4)CC2)c1 8170337 BUJCZVUOCWSJEK-WVKNIADZSA-N 384.520 3.065 0 1 GGAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1CC#CCCCC(=O)O 118264583 YQYNOBUZBOFQFN-SFKLEDFFSA-N 378.509 3.334 0 1 GGAF CCc1ccccc1-n1c(SCC(=O)N(CC)CC)nc2nnc(C)c-2c1N 103623460 INLADZLVMZDUHH-UHFFFAOYSA-N 398.536 3.181 0 1 GGAF O=C(Nc1cc(Cl)ccc1Cl)NS(=O)(=O)[C@@H]1CCCCCC1=O 103206512 BNLIINRMMIGSCL-CYBMUJFWSA-N 379.265 3.347 0 1 GGAF CC(C)[C@@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(NC(=S)NCc3ccccc3)C(=O)[C@@H]12 101880520 AMYFASUDBOAVHW-XWOARTFESA-N 397.544 3.179 0 1 GGAF CC(=O)[C@H](C)[C@](C)(O)C(=O)OC1=CC(C)=CCCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@@H]12 2356517756 SWEZMQZVOMKDJW-WWHWOPLRSA-N 390.476 3.254 0 1 GGAF CSC=CC(=O)O[C@H]1Cc2c(cc3oc(C)cc(=O)c3c2O)OC1(C)C 2356562421 SPAMVRJQZFCUHE-HNNXBMFYSA-N 376.430 3.309 0 1 GGAF COc1cc2c(c(OC)c1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2 45284743 BZAYKBZCTIPEOG-UHFFFAOYSA-N 382.436 3.393 0 1 GGAF Cc1cc(C)c2c(n1)sc1c(N3CCNCC3)nc(-c3ccncc3)nc12 223661332 OIVRHEQXMPIFNY-UHFFFAOYSA-N 376.489 3.328 0 1 GGAF COc1cccc([C@H]2C=C(c3cc(OC)c(OC)c(OC)c3)NC(=S)N2)c1 40848520 AVPXFDRIVZZEGP-OAHLLOKOSA-N 386.473 3.281 0 1 GGAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccco2)C1 82142339 QMTINNDLIZJBCM-HZPDHXFCSA-N 384.480 3.224 0 1 GGAF O=C(c1ccc(Cl)cc1Cl)N1CCn2c(nnc2-c2ccc(F)cn2)C1 95565733 QABRBPKKQRUTFF-UHFFFAOYSA-N 392.221 3.442 0 1 GGAF COc1ccc(S(=O)(=O)Cc2nc3cc(Br)cc(F)c3[nH]2)cc1 586919950 AVBIZRJCEQXHCZ-UHFFFAOYSA-N 399.241 3.447 0 1 GGAF O=Cc1cc(Br)cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 586981388 AYVDQYQRYJAFDE-UHFFFAOYSA-N 381.207 3.052 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1csc(-c3ccccc3N)n1)NCC2 962925761 QMXYWLIANIXWIN-LJQANCHMSA-N 378.501 3.329 0 1 GGAF CC(C)(C)OC(=O)NCc1noc(-c2nn(-c3ccccn3)c3ccccc23)n1 169311943 TYIHJWHMXMPDOI-UHFFFAOYSA-N 392.419 3.495 0 1 GGAF O=C(Cc1ccc(Cl)cc1)Nc1cncc(C(=O)c2c[nH]c3ncncc23)c1 205595836 OILFQFKRWZVPLO-UHFFFAOYSA-N 391.818 3.419 0 1 GGAF Cc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)cc1-c1cnn2cccnc12 1857600569 PMMXJDXPWVTHQK-UKRRQHHQSA-N 391.447 3.011 0 1 GGAF COc1ccc2c(c1)cc([C@H](O)c1ccccn1)n2S(=O)(=O)c1ccccc1 633544 FWKMHLGUWJWKBY-OAQYLSRUSA-N 394.452 3.364 0 3 GGAF O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 1116433 BWFWRODDHJECAZ-FUOYASODSA-N 376.387 3.390 0 1 GGAF C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)n1sc2ccccc2c1=O 6799967 WYOXMJIJAHWDMZ-MRXNPFEDSA-N 395.528 3.405 0 1 GGAF CC(=O)O[C@H]1C[C@@H]2[C@H](OC(C)=O)C3=C(C)[C@H](OC(C)=O)C[C@]3([C@@H]1C)C2(C)C 104381312 LCYMMMXHRHJXJB-LCYHABERSA-N 378.465 3.184 0 1 GGAF in-man CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2C(=O)CC[C@H](C)[C@]21C 2356847061 OTGXSXSAUGEVPE-PBYYZIQISA-N 376.449 3.106 0 1 GGAF CCN1CC(C(=O)N[C@@H]2CC[C@@H](c3ccccc3)c3ccccc32)=C(O)C1=O 219144374 CYZIZTQBLIJVAS-OXJNMPFZSA-N 376.456 3.444 0 1 GGAF COC(=O)C1=C2C=C(C)OC=C2[C@](C)(O)C1=CC(=O)[C@H](C)CCCCCCO 14696182 WGHKHGDABDZHGB-JLCFBVMHSA-N 390.476 3.113 0 1 GGAF biogenic O=C1CCCN1CCCn1c(C2CC2)nc2c(NCc3cccs3)ncnc21 82179040 XZPTYGLKIFFAAE-UHFFFAOYSA-N 396.520 3.390 0 1 GGAF CCCS(=O)(=O)c1ccc2[nH]c(N3CCO[C@H](c4ccccc4)C3)nc2c1 95578397 TXEXIUFCFKEHNJ-IBGZPJMESA-N 385.489 3.325 0 1 GGAF Cn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1 143733269 RPOQYHASIAIZBW-OAQYLSRUSA-N 387.447 3.225 0 1 GGAF CC[C@H]1[C@@H]2CCCCN3[C@@H]2[C@@H](C[C@H]3[C@H]2C[C@@H](C)C(=O)O2)[C@@H]2[C@@H](C)C(=O)O[C@H]12 95912500 GYOGHROCTSEKDY-IRSLSBOGSA-N 375.509 3.015 0 1 GGAF biogenic,in-vitro C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(Cc4ccc(F)cc4)C[C@H]23)cc1 95796913 HFXWOQOWUWFQKI-QLBSFSJZSA-N 380.463 3.030 0 1 GGAF COc1nc(-c2cccc3cccnc23)nc(=NCCc2ccc(F)cc2)[nH]1 473179403 KJERGGOWECYESU-UHFFFAOYSA-N 375.407 3.311 0 1 GGAF O=C(N[C@H]1CN2CCC1CC2)c1cc(C(=O)c2ccccc2F)n2ccccc12 653718349 KCWUGFYHEASWMP-IBGZPJMESA-N 391.446 3.133 0 1 GGAF COC(=O)[C@@H]1SC[C@H](C)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587854053 BENZJZHEFCHULX-YAODMKAHSA-N 388.302 3.242 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(O)cc1)C(=O)O 587612390 UTPOYHSNBBEYCZ-PGRDOPGGSA-N 392.363 3.126 0 1 GGAF c1ccc(C[C@@H]2N[C@@H](c3nc4ccc(CN5CCOCC5)cc4[nH]3)CS2)cc1 587040909 JKUPRANWAIUVLY-NHCUHLMSSA-N 394.544 3.341 0 1 GGAF O=C1COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2N1 587591336 CGUFKKYDJDFDPK-KNQAVFIVSA-N 389.363 3.426 0 1 GGAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cnnc(O)c1Cl 587653333 FSQCWNMVEKFMNS-UHFFFAOYSA-N 386.745 3.480 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2cnn(C)c2)N1 587760982 ROIGPAFDGIOYDY-XYZCENFISA-N 390.260 3.335 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2c(c1)OCCO2 587587548 OIQFMAIGVUUBNG-XLIONFOSSA-N 377.352 3.261 0 1 GGAF C[C@H](NC(=O)CO)c1ccc(CN2CCc3cc(OCC4CC4)ccc3C2)cc1 1772588771 JPDDVLOCTIGLQN-KRWDZBQOSA-N 394.515 3.203 0 1 GGAF CN1[C@@H](C(=O)NCc2ccco2)C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]21 13660783 RXEOZLZBPPKMPL-MAODMQOUSA-N 386.455 3.474 0 1 GGAF CN(C(=O)CCCOc1ccc2nc3c(cc2c1)[nH]c(=O)n3C)C1CCCCC1 13725628 FQYLSTKWQMFOBG-UHFFFAOYSA-N 396.491 3.365 0 1 GGAF N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)NC[C@@H]3CCCO3)cc1)C2 166034440 OPOLIZKOKZURQM-FQEVSTJZSA-N 390.443 3.015 0 1 GGAF O=C(CN1CCC(c2ccccc2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 1857556421 UMZDAKVLRFZYHE-HSZRJFAPSA-N 377.532 3.257 0 1 GGAF O=C1N(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)CCC1(F)F 1857644617 JPMXZOVVSGBPDK-ZDUSSCGKSA-N 380.341 3.301 0 1 GGAF O=C(c1ccccc1)N1C[C@@H](O)N(c2ccc(Br)cc2)C1=S 1008768 VOLOMZNLKXDLRU-CQSZACIVSA-N 377.263 3.015 0 3 GGAF CC1(C)C=Cc2c(c(O)cc3c2OC[C@@H](c2ccc4c(c2O)OCO4)C3=O)O1 2356333869 XLWRNLNBKQQJIZ-ZDUSSCGKSA-N 382.368 3.370 0 1 GGAF O=C(NC[C@H]1CCCO1)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl 4903195 UBBXAXBLJDJYOZ-DNVCBOLYSA-N 384.863 3.332 0 1 GGAF Nc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(S(=O)(=O)c3ccccc3)cc2)cn1 103241111 CTZSMGLKBKOIGG-RBUKOAKNSA-N 393.468 3.239 0 1 GGAF COc1cccc([C@H]2C[C@@H](C(F)(F)F)N3NC=C(C(=O)NC(C)(C)C)C3=N2)c1 104010023 OPFPOCVGCULJDO-CABCVRRESA-N 396.413 3.088 0 3 GGAF Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(C(=O)N(C)C)n[nH]c2c1 59096157 YXCOKGCMQIQEKQ-UHFFFAOYSA-N 380.423 3.271 0 1 GGAF in-vivo CCCSc1nc(NC)ccc1C(=O)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 101550205 RVUNIPZUTBSHTG-DJPYIJFQSA-N 375.538 3.295 0 1 GGAF Cc1cc2c(CNCCO)c3c(nc2cc1F)-c1cc2ccccc2c(=O)n1C3 58576203 CVKVEMAZMGVROD-UHFFFAOYSA-N 389.430 3.108 0 1 GGAF Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCC42CC2)cc(C)n1 29415505 FDJRTOBUZNGNNQ-UHFFFAOYSA-N 380.375 3.399 0 1 GGAF O=C(O)CCCNC(=O)[C@@H](Cc1ccccc1)C[C@H](Cc1ccccc1)C(=O)O 26509021 QJELJDHYIVQIJV-PMACEKPBSA-N 397.471 3.160 0 1 GGAF Cc1cc(C)c2c(=O)n3c(nc2c1)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1-3 61921445 FTYMLBZNVAHLSV-LJQANCHMSA-N 396.450 3.425 0 3 GGAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CCCCC3)[C@H](O)[C@@H]2[C@H]1C 2356533609 MAYBNQJIYGYBCP-CQFFKVDRSA-N 392.584 3.399 0 1 GGAF O=S(=O)(c1cccc2ccccc12)N1Cc2ccccc2-n2nncc2C1 61924175 JHJWXNLDMPLZRA-UHFFFAOYSA-N 376.441 3.125 0 3 GGAF COCCN(CCOC)c1nn2c(-c3ccc(F)cc3)nnc2c2ccccc12 36080054 JJHVPUJMJFVQMB-UHFFFAOYSA-N 395.438 3.183 0 1 GGAF CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)o3)c(-c3cccc(C)c3)n2)CC1 82173260 OZTWULLHASXNTP-UHFFFAOYSA-N 391.475 3.392 0 1 GGAF O=C1O/C(=C\c2ccc(O)c(Br)c2)C(=O)N1c1ccc(F)nc1 84632359 OCSCGIIXNCYYHS-SDQBBNPISA-N 379.141 3.213 0 1 GGAF O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1cccc3ccccc13)CCN2 82224056 KBAAWKLKBDNMLV-UHFFFAOYSA-N 398.466 3.249 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(COc1ccc4ccc(=O)oc4c1)[C@@H](C2)C3=O 587454873 ZABFNNCJQMLGPX-KSFYIVLOSA-N 378.380 3.387 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CS(=O)(=O)c1ccc(Cl)cc1)O2 587409810 UMGLGKZFYIGFIU-GOSISDBHSA-N 379.865 3.428 0 1 GGAF Cc1ccc2c3c(c4c(nc13)CC[C@@H]1[C@H](C(=O)O)NC[C@@H]41)-c1ccccc1C2=O 587097832 SWXVOKYTGLJBPA-JWCWZOIMSA-N 384.435 3.457 0 1 GGAF CCOC(=O)C[C@]1(COC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346219 IARLYZUDDMXCRE-PZJWPPBQSA-N 388.391 3.229 0 1 GGAF COc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1OC 586921124 YNACHKSDEUCFFU-UHFFFAOYSA-N 386.473 3.085 0 1 GGAF O=C(O)c1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587609686 OXPNMTWUFKIXNH-XLIONFOSSA-N 378.336 3.499 0 1 GGAF CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc21 587572030 QJHPKNDQYZAGQM-GCJKJVERSA-N 391.354 3.365 0 1 GGAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1c1cc(O)ccc1F 963141837 JSLVVUZHYCPKOI-ZIAGYGMSSA-N 394.424 3.324 0 1 GGAF Cc1nc(N2CCC(C(=O)N3CCC[C@H](O)C3)CC2)nc2ccc(C(C)C)cc12 11982425 WCAFNMSLPSFNTO-IBGZPJMESA-N 396.535 3.261 0 1 GGAF C[C@@]1(O)OC(=O)C(c2ccc(F)c(Cl)c2)=C1c1ccc(S(C)(=O)=O)cc1 13488611 OQDKPQRAGXTOIK-GOSISDBHSA-N 396.823 3.059 0 1 GGAF CCn1nc(C)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13760989 YYSAJXTWKLVDNO-UHFFFAOYSA-N 388.431 3.348 0 1 GGAF CC(C)c1ccc(NC(=O)c2ccnc(N3CCc4nc(N)ncc4C3)c2)cc1 169710074 HLRYQUMBAFEOOT-UHFFFAOYSA-N 388.475 3.392 0 1 GGAF O=S(=O)(c1ccccc1)N1CCc2c(N3CCN(C4CCC4)CC3)cccc21 1857581919 XERZUXOKZOACKV-UHFFFAOYSA-N 397.544 3.113 0 1 GGAF Cc1ccccc1NC(=O)OCCN1CCN(Cc2ccccc2)CCC1=O 8680262 RBRPWBHCPGQUDQ-UHFFFAOYSA-N 381.476 3.278 0 3 GGAF C=Cc1ccc(C(=O)NCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 58548467 RXEMEYIKURNJLE-UHFFFAOYSA-N 390.487 3.040 0 1 GGAF O=C(C(=O)N1CCC[C@@H](C(=O)OCc2ccccc2)C1)c1c[nH]c2ccccc12 28770933 YINBZIQMPAZHMF-QGZVFWFLSA-N 390.439 3.333 0 1 GGAF COc1ccc(CN2C(=O)[C@H]3C[C@@H](CN3CC3CC3)Oc3ccccc32)cc1 2356395871 WIXREULYZRMGJR-PZJWPPBQSA-N 378.472 3.474 0 1 GGAF CCCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC 28256887 PPAUVJZNYKISEQ-LBPRGKRZSA-N 385.302 3.071 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(=O)CO)CC[C@]32O)C1 2356405162 JFRJVZILATYGJH-SGSGVXJPSA-N 392.536 3.253 0 1 GGAF CC[C@H](C)NC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N 71294787 RMNTXVHSVPDCSC-LBPRGKRZSA-N 380.448 3.425 0 1 GGAF O=C(CNC(=O)c1coc(-c2ccc3ccccc3c2)n1)NCc1ccco1 82084821 WOFMSSALNRVCJX-UHFFFAOYSA-N 375.384 3.134 0 1 GGAF C[C@H]1CNc2c(NCC3CC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 82212237 JFEHQQJITGGMDX-JTQLQIEISA-N 395.290 3.174 0 1 GGAF CCOC[C@H]1C[C@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 45321138 SAQXZEFKPJEJJL-XAYKYTGQSA-N 395.912 3.166 0 1 GGAF Cc1ccc(NC(=O)CN2CCCN(Cc3nc4ccccc4[nH]3)CC2)c(C)c1 49088989 HSTQJTFPJOFGGJ-UHFFFAOYSA-N 391.519 3.326 0 1 GGAF CCOC(=O)NCc1ccc(-n2c(-c3ccc(O)cc3O)n[nH]c2=S)cc1 87721860 QBXBVHAMRYFIHX-UHFFFAOYSA-N 386.433 3.254 0 1 GGAF NCc1ccc2ccccc2c1-c1ccc(C(=O)NCCN2CCOCC2)cc1 84724434 LJXMOYXCVXIDDM-UHFFFAOYSA-N 389.499 3.028 0 1 GGAF in-vitro CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](CC)N2 82208052 VGIWCJZZRYOXQP-KRWDZBQOSA-N 388.487 3.250 0 1 GGAF O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(Cl)cc1 95794400 RNBNWYSLOVODRS-NHCUHLMSSA-N 396.918 3.291 0 1 GGAF N[C@H]1CCc2ccc(CNS(=O)(=O)CCCF)cc2[C@@H]1Cc1ccccc1 142928850 AUDHCZPXIAUFBH-SFTDATJTSA-N 390.524 3.065 0 1 GGAF Nc1ccccc1-c1nn2c(CCC(=O)c3nc4ccccc4[nH]3)nnc2s1 95591666 SJGWYYMRCPFDQS-UHFFFAOYSA-N 389.444 3.127 0 1 GGAF Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1Cc1ccc(F)cc1 95598997 TUPOEGHJTARORN-OAQYLSRUSA-N 379.439 3.456 0 3 GGAF CC(=O)O[C@H]1C[C@@H]2[C@@H](OC(C)=O)C3=C(C)[C@H](OC(C)=O)C[C@@]3([C@H]1C)C2(C)C 257470993 LCYMMMXHRHJXJB-VFFZYCHGSA-N 378.465 3.184 0 1 GGAF endogenous,in-man Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c1ccc(N)c2N 587388646 FXAMXTWGXKKTNC-QHCPKHFHSA-N 385.423 3.195 0 1 GGAF CCOC(=O)c1c[nH]nc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587801510 HAEGSGYTVKYUJY-VXJOIVPMSA-N 382.233 3.112 0 1 GGAF Oc1nc(NCc2ccccc2)c2nc([C@@H](O)c3ccccc3Cl)nc-2[nH]1 587059322 OMJKPVPIRKTXOK-HNNXBMFYSA-N 381.823 3.357 0 1 GGAF COC(=O)c1ccc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2c1OC 587951693 ITGNVISTJJFAHW-HSBZDZAISA-N 376.453 3.436 0 1 GGAF COc1ccc(-c2cccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c2)cc1O 587787148 PYHBXSSOLPYEIP-UHFFFAOYSA-N 395.440 3.259 0 1 GGAF CCOC(=O)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340689 VMCDWOHBROKNIY-RJHNZLOYSA-N 399.418 3.267 0 1 GGAF COC(=O)c1scnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616318 BPMDLIIADIHMAE-GUYCJALGSA-N 383.381 3.338 0 1 GGAF COC(=O)c1ncccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589271 UIGALZDHNDKDMD-OXQOHEQNSA-N 377.352 3.277 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@@H](O)NC(=O)CC)CC2=O 587471415 SFIHFFVDMLKQJC-PKTZIBPZSA-N 397.471 3.358 0 1 GGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Br)c(C)nc2[nH]1 587230591 ITSAZNWHBQBBAG-NWDGAFQWSA-N 395.301 3.065 0 1 GGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(F)cnc(Cl)c3[nH]2)cc1 587227905 AXMPRFQXAFTVSA-UHFFFAOYSA-N 391.790 3.249 0 1 GGAF CC(C)(C)OC(=O)N1[C@@H](c2cc(O)ccc2F)c2scnc2C[C@@H]1C(=O)O 963141834 JSLVVUZHYCPKOI-KGLIPLIRSA-N 394.424 3.324 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@@H](c3cc(Br)cnc3F)c3cccc1c32 963025336 MGLIQVHQJKMYRB-JDNHERCYSA-N 376.229 3.126 0 1 GGAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(-c3ccnn3C)c12 1772582653 FWLVTZKIMIPAIZ-GFCCVEGCSA-N 391.435 3.250 0 1 GGAF COCC(=O)Nc1cc2ncnc(Nc3cc(O)c(C)cc3F)c2cc1OC 13803337 SGKBYSBTZYZOJQ-UHFFFAOYSA-N 386.383 3.120 0 1 GGAF COc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H]3C[C@H]4C=C[C@@H]3C4)C2=O)cc1 169364858 WLDNKAUYZYEEKC-JQKBIUJXSA-N 398.484 3.060 0 1 GGAF CCOc1ccc(C[C@@H]2C[N+]3=C(NC[C@H]3C)N2CC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 169721133 ZMGRVWMXWPRHFE-MSEOUXRUSA-O 382.572 3.499 0 1 GGAF C[C@H](Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1 28362524 UNUSDSJWMRJMCT-LBPRGKRZSA-N 386.406 3.396 0 1 GGAF CCOc1c(Br)ccc(OC)c1C(=O)NC[C@@H]1CCCN1CC 28260576 UANCYESJBBDKLC-LBPRGKRZSA-N 385.302 3.071 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CO[C@H](CC)[C@H](OC(C)=O)[C@]2(C)CC[C@@](O)(C(C)C)[C@H]12 2356441124 GERFPXQSALCMIE-SFGIZBKVSA-N 396.524 3.408 0 1 GGAF COc1ccc(C(=O)N2C[C@H](F)[C@H](OCc3nc4ccc(F)cc4[nH]3)C2)cc1 2356709926 AXXIBYVOSUYYRT-MAUKXSAKSA-N 387.386 3.090 0 1 GGAF COc1ccc2c(c1)c([C@H](C(=O)O)N1C[C@H](C)C[C@@H](C)C1)cn2CCC(=O)O 504656658 CVZYCCJMVMSEJF-ARGWCVDVSA-N 388.464 3.228 0 1 GGAF biogenic C[C@@]12C(=O)N(c3ccc4c(c3)OCCO4)C(=O)N1CCc1c2[nH]c2ccccc12 2094319 MBLOBZMPWFIVHD-JOCHJYFZSA-N 389.411 3.179 0 1 GGAF biogenic CCOC(=O)CS[C@@H]1NC(=O)[C@@H]2[C@@H](N1)c1ccccc1CC21CCCCC1 211692016 XJHPTSMFQIWCBR-BJLQDIEVSA-N 388.533 3.150 0 1 GGAF O=C(CCN1CCN2Cc3[nH]c4ccccc4c3C[C@H]2C1)Nc1ccccc1F 40471752 XXJOSNQFMYZPDB-INIZCTEOSA-N 392.478 3.378 0 1 GGAF CCNc1ccc2c(=O)nc(Nc3nc(C)c4cc(OC)ccc4n3)[nH]c2c1 40901267 SMOTXYFMTOYCCX-UHFFFAOYSA-N 376.420 3.359 0 1 GGAF CC(C)C(=O)N[C@H]1[C@H](O)CCC[C@]12C(=O)N(Cc1ccccc1)c1ccccc12 96018490 XGJSPIJEZXWPEY-ZFGGDYGUSA-N 392.499 3.157 0 3 GGAF COC(=O)CCc1ccc(Oc2cc3cc(OC)c(O)cc3oc2=O)cc1O 238786437 CGYDHWLJDXNIQZ-UHFFFAOYSA-N 386.356 3.111 0 1 GGAF Cc1cccc2nc([C@H](C)n3cnc4c(N)ncnc43)n(-c3ccccc3)c(=O)c12 95565957 QNIRTQZHXPSGMQ-AWEZNQCLSA-N 397.442 3.025 0 1 GGAF COc1ccc(NC(=O)C(=O)c2cn(CC(C)(C)OC)c3ccccc23)cn1 653786538 POOZZYURPYRZSA-UHFFFAOYSA-N 381.432 3.291 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCN1C[C@@H](C)O[C@H](C)C1 587872636 PFDGGHLZRLCVGS-HUUCEWRRSA-N 375.444 3.227 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCn3nc(C(=O)O)cc32)N1 587798304 UKFJQDHRBCYVQH-XLFHBGCDSA-N 394.244 3.055 0 1 GGAF COc1cc(OC)c2[nH]c(C[C@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 587094370 QQYQAEOYBXEILF-HNNXBMFYSA-N 387.383 3.338 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(OC)cc(OC)c21 587478098 ABDLUQQSPYSOAE-OAQYLSRUSA-N 383.400 3.175 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)n1cc(C)cn1 587869660 METIWJMJTDEASR-LLVKDONJSA-N 379.342 3.379 0 1 GGAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(C)ccc(C)c3[nH]2)c1 587232317 WOONZNQWDHNMHB-UHFFFAOYSA-N 394.475 3.127 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(=NC[C@@H]3CCCO3)[nH]c1C)O2 587414840 WJZFIFMOOSPSDN-RNODOKPDSA-N 387.505 3.236 0 1 GGAF CS(=O)(=O)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608771 SQZBLEFPZMUOFA-GHTZIAJQSA-N 396.420 3.499 0 1 GGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587194177 NTMYNCTXNBCKIK-SNVBAGLBSA-N 398.410 3.402 0 1 GGAF COc1nccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587003553 LYVFVBPNMWJNHH-VIFPVBQESA-N 388.221 3.364 0 1 GGAF N=c1[nH]ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c12 587155369 XUQNDFIOHKBDSA-UHFFFAOYSA-N 377.379 3.194 0 1 GGAF CCCS(=O)(=O)N1CCC(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CC1 586951981 FPKVXTNKBWFYJY-UHFFFAOYSA-N 379.379 3.039 0 1 GGAF COCOc1cccc([C@]2(c3ccncc3)c3ccsc3CCN2C(N)=O)c1 962718963 VRHWEEXRCMPCDT-OAQYLSRUSA-N 395.484 3.355 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OC[C@H]3CCOC3)c2cn1)c1ccccc1 1772644620 OGDBMJHMIZHIRT-KGLIPLIRSA-N 381.436 3.256 0 1 GGAF O[C@H](COc1ccccc1CN1CCSCC1)CN1CCc2ccccc2C1 12711921 QWJSKUHNNGBIRK-QFIPXVFZSA-N 398.572 3.033 0 1 GGAF COc1cc2cc3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)O[C@@H]3O 14641011 YAMJLCCLJCIULP-FQEVSTJZSA-N 380.352 3.414 0 1 GGAF biogenic,in-vitro Nc1ncc(Oc2cc3ccccc3cc2I)c(N)n1 202458091 SEMAJUVONDKJBU-UHFFFAOYSA-N 378.173 3.191 0 1 GGAF CC(=O)Oc1cccc(C(=O)N2C[C@H]3C(c4ccccc4C)=NO[C@H]3C2)c1C 205220401 XDUZGCQPACIVQR-QUCCMNQESA-N 378.428 3.104 0 3 GGAF COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2CCc3ccccc3O2)nc1=O 209692242 CFTLGKJHVXVWCT-SFHVURJKSA-N 390.439 3.248 0 1 GGAF COc1ccc(N(C(=S)NCCCn2cncc2C)C(C)C)cc1OC 1857563567 UTKVFQVLGCOVFT-UHFFFAOYSA-N 376.526 3.388 0 1 GGAF CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 763156 LWMHIWKFVJDMLA-PKOBYXMFSA-N 386.492 3.340 0 1 GGAF Cc1c(C(=O)NC2CC2)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc12 2459824 QEUBHGFCPXABIR-STQMWFEESA-N 390.505 3.300 0 1 GGAF Cc1ccc(N2CCN(C(=O)Cc3c(C(=O)O)[nH]c4ccccc34)C[C@H]2C)cc1 4766940 QOYHUOJNFDBZAT-MRXNPFEDSA-N 391.471 3.454 0 1 GGAF COc1cc(O)c(-c2oc3c(OC)c(OC)ccc3c(=O)c2OC)cc1OC 14436520 ILFIBHRYVRDHNZ-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF endogenous,in-man c1ccc(CNCCNCCCCCCNCCNCc2ccccc2)cc1 22933950 XJJJSFCZVULSRX-UHFFFAOYSA-N 382.596 3.306 0 1 GGAF O=C(O)c1ccccc1C(=O)NCCOC(=S)Nc1cccc(Cl)c1 28520971 YZOAYZWENWCKBZ-UHFFFAOYSA-N 378.837 3.182 0 1 GGAF Cc1ccc(Cn2c([S@](C)=O)nc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 29330265 UQAFZDFJGDHPIJ-HHHXNRCGSA-N 397.426 3.005 0 1 GGAF CCOC(=O)c1ccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 29470285 ODGULMVQGXWGLQ-UHFFFAOYSA-N 393.369 3.136 0 1 GGAF CCCCC/C=C\C/C=C\C/C=C\C[C@@H](O)[C@H](O)CCCC(=O)NCCO 34961984 BQQNTPYZRYHULM-MSHHQSRVSA-N 381.557 3.406 0 1 GGAF NCc1nccnc1CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 66252182 PVZYYPQMTLEPEP-OAQYLSRUSA-N 399.502 3.286 0 1 GGAF CC(=O)NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72101957 MBEIZNDGBZMXCT-SFHVURJKSA-N 378.398 3.185 0 1 GGAF O=C1c2cnn(-c3ccccc3)c2CCCN1C1[C@H]2CC3C[C@H]1CC(O)(C3)C2 101668568 DXTVIGRKFLRQSS-BRFMOOIASA-N 377.488 3.200 0 1 GGAF Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ccccc3c2)nn1 114078833 MBRKUBPARWQXHD-UHFFFAOYSA-N 386.459 3.004 0 1 GGAF CC1(C)Oc2ccc(-c3cncc(Cl)c3)cc2[C@@]2(COC(N)=N2)C12COC2 149219915 SVHNMBSDZDNXOE-FQEVSTJZSA-N 385.851 3.130 0 1 GGAF CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1CCCC1 149347042 XYHYPUGXAKJICQ-KRWDZBQOSA-N 386.517 3.360 0 1 GGAF COc1cc2c3c(c1OC(C)=O)[C@]1(C=C[C@@H](OC(C)=O)CC1)C[C@H]3N(C)CC2 238732580 NDNMVOQTUROVEV-YVHKJVDXSA-N 385.460 3.073 0 1 GGAF CCC/C=C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)[C@H]4O[C@H]4[C@]3(C)[C@]1(C)[C@]21CO1 238748288 LLGZYQNOOOCMRJ-UPFPDLFASA-N 386.488 3.491 0 1 GGAF Cc1ccc(Oc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1 261129674 KVUFEDZSADYFSM-UHFFFAOYSA-N 379.468 3.104 0 1 GGAF O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(F)cc2[nH]1 586999455 AWKVKCSZYMDJNC-UHFFFAOYSA-N 390.212 3.433 0 1 GGAF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cncnc2[nH]1 587140992 LYMQBUCYVYMZAP-CYBMUJFWSA-N 397.863 3.211 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1CN(C(=O)OC(C)(C)C)CCO1)CC2=O 587474212 CWJXHSCXNFQIOO-QZTJIDSGSA-N 391.464 3.314 0 1 GGAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc3c(c1)CCC(=O)N3)CC2=O 587482889 KDXAOJLOIPVLEC-QFIPXVFZSA-N 395.411 3.175 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2cnccn2)c1 587583171 UHFNAXJCHCTZHM-WIYYLYMNSA-N 386.367 3.071 0 1 GGAF Cc1nn(C)c(N(C)C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587760025 WPDQJLGSDDYBGJ-ABKXIKBNSA-N 381.293 3.320 0 1 GGAF Cc1cn([C@@H]2CCN(Cc3cccc(Oc4ccccc4)c3)C2)c(=O)nc1O 1772581753 LDIOPPWCXJZOEP-GOSISDBHSA-N 377.444 3.497 0 1 GGAF CN(C(=O)c1cn(-c2cnsc2)c2ccccc12)C1C[C@H]2COC[C@@H](C1)N2C 1772632632 TXRVQBMEVIEURT-MQVJKMGUSA-N 396.516 3.021 0 1 GGAF COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@@H](c1ccccc1F)C(C)(C)O 1772640379 UARARIOSCGMOEN-IBGZPJMESA-N 383.423 3.466 0 1 GGAF CCOC(=O)c1cc2c3n(c1=O)-c1ccccc1[C@]31CCN3C[C@H](CC)[C@H]2C[C@H]31 2356514532 IBDFFSJHPFBKGZ-UOGMOBEVSA-N 390.483 3.215 0 1 GGAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 2356651190 FJLRVAGPNRNSFD-YQVWRLOYSA-N 392.540 3.271 0 1 GGAF CCN1CC[C@@]2(CCN(C(=O)c3cc(COc4cc(C)ccc4C)on3)C2)C1 12225640 HZBPXTSCBIBPQI-JOCHJYFZSA-N 383.492 3.428 0 3 GGAF COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1N1CCNCC1 27649612 ZAJWJBAGVBUWBD-UHFFFAOYSA-N 389.521 3.029 0 1 GGAF COc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)c4ccncc4)C[C@@H]2N3)cc1 100107596 OOWJKJLSMCKXIE-SGRGSNTQSA-N 385.467 3.337 0 1 GGAF O=C(CN1CCN(Cc2cccs2)CC1)[C@@](O)(c1ccccc1)C1CCC1 22940402 VBGMDJIXPSBXMG-JOCHJYFZSA-N 384.545 3.123 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CC[C@](C)([C@@H]2CCC(C)=C[C@H]2O)O[C@@]1(C)COC(C)=O 2356437566 XMZLIYKXYUUFPG-GIGYVVOSSA-N 394.508 3.473 0 1 GGAF CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCCC(F)(F)F)O3)c1 61907144 JRRIUGMMHAVYQD-MRXNPFEDSA-N 378.350 3.323 0 3 GGAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc(F)cc2)C1 82140780 RUWFIAJFTXALIF-HOTGVXAUSA-N 398.482 3.237 0 1 GGAF COc1ccccc1-c1csc(N2CCC[C@H]2C(=O)NC[C@H]2CCCO2)n1 82193499 HVWYPVURYBWESX-PBHICJAKSA-N 387.505 3.083 0 1 GGAF OC[C@@H]1[C@H](c2ccccc2)C2(CN(CCC(F)(F)F)C2)N1Cc1cccnc1 95796797 DTGNUWWJEOCQPO-MOPGFXCFSA-N 391.437 3.049 0 1 GGAF Nc1nc2ccccn2c1C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 299871714 ZBFCMBUQJZPEHZ-SFHVURJKSA-N 384.439 3.141 0 1 GGAF CC1=C(C(N)=O)[C@H](C2CCCCC2)N2NC(SCc3ccccc3)=NC2=N1 473136030 NAXRESXZRYUSQA-KRWDZBQOSA-N 383.521 3.174 0 1 GGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 586940787 GCNYVRZOKLITSP-JXMROGBWSA-N 399.472 3.123 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(OC)nc3Cl)[nH]c2c1 587083742 IYVVBEUATIWXCV-UHFFFAOYSA-N 394.884 3.365 0 1 GGAF CCOC(=O)[C@]1(CC(=O)CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800474 XPEQDRAJBUHWNO-DYZYQPBXSA-N 386.261 3.250 0 1 GGAF C[C@@H](F)[C@@H](N)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587122823 GWPPODXXFUAMAU-RFAUZJTJSA-N 382.848 3.375 0 1 GGAF COc1cc(Br)cc(C=O)c1OCc1nc2cnc(Cl)[nH]c-2n1 586979647 HIVCPYDJIXFCPV-UHFFFAOYSA-N 397.616 3.121 0 1 GGAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc(C(F)(F)F)c2[nH]1 586931016 ZBBNXEFXYMAPKM-UHFFFAOYSA-N 385.367 3.117 0 1 GGAF COc1cccc(OC(=O)c2ccccc2)c1-c1ccc2c(O)nc(O)nc2n1 587560248 YXLPDYDXVOIXAZ-UHFFFAOYSA-N 389.367 3.331 0 1 GGAF Cc1ccnc2c1CCN[C@@]21C=C(N2CCOCC2)Oc2c1ccc1ccccc21 963076880 SWYXIJOZCKYIQU-RUZDIDTESA-N 399.494 3.499 0 1 GGAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@]2(CCCc3c(O)cccc32)N1 962636988 QGDGFYDLNOMOER-QFBILLFUSA-N 393.361 3.470 0 1 GGAF CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(Cl)ccc3nc2-1 13556270 YINRSPZPOWUULX-OAQYLSRUSA-N 396.830 3.123 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC4CC4)cn3)C2)cc1 169709275 GXKJFXKTOLPYBS-BTYIYWSLSA-N 381.476 3.478 0 1 GGAF O=C(Nc1ccc(C(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1)N1Cc2ccccc2C1 166137716 MNOTXRADYLCPIP-UXHICEINSA-N 391.471 3.343 0 1 GGAF FC(F)(F)c1cccnc1N1CCC(NC(=S)Nc2cccnc2)CC1 1857533583 AXXYOTQFMPZFKZ-UHFFFAOYSA-N 381.427 3.451 0 1 GGAF Cc1c(SC2CCCCC2)n(COCSc2ccncc2)c(=O)[nH]c1=O 28135020 PKYSXGQIOMZZMV-UHFFFAOYSA-N 393.534 3.389 0 1 GGAF CC(=O)OC[C@]1(O)OC[C@]23CC[C@H]4[C@@H](CC[C@H]5CC(=O)CC[C@@]54C)[C@@H]2CC[C@H]13 118919806 KHPQUAVODVOVLY-JILFXUSZSA-N 390.520 3.476 0 1 GGAF Cc1cccc(C(=O)NCC(=O)NC[C@@H]2CCCN2Cc2ccc(Cl)cc2)c1 28389302 UEOGQPZYSMZGAM-FQEVSTJZSA-N 399.922 3.159 0 1 GGAF O=c1ccc(-c2ccccc2)nn1CCCCNC(=S)NCc1ccccc1 27215096 NLRUBQGQLKZUSB-UHFFFAOYSA-N 392.528 3.355 0 1 GGAF COc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(CC(C)(C)C)C2=O)cc1 218869678 PJKPUVZCRRTLKU-UHFFFAOYSA-N 381.476 3.150 0 1 GGAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccccc3F)n2)C1 82150952 AKMHHYNXWJFGMP-HZPDHXFCSA-N 398.482 3.237 0 1 GGAF CC(C)[C@@H](CCc1ccc(Cl)c(Cl)c1)NC(=O)C1=C(O)C(=O)N(C)C1 141962513 GHDFDEIYNVCALK-OAHLLOKOSA-N 385.291 3.351 0 1 GGAF Cc1cccnc1NC(=O)Nc1cccc2c1[C@H]1CC3(CCN1C2=O)OCCO3 140939582 SGLFNEQEJCBMII-MRXNPFEDSA-N 394.431 3.068 0 1 GGAF O=C1OCC[C@H]1CNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 147456626 PVRHOPGMFYPFCK-AWEZNQCLSA-N 376.420 3.334 0 1 GGAF O=C(N[C@H](CCCOCOCc1ccccc1)C(=O)O)OCc1ccccc1 95535286 OXHSHFPWFSGCNY-LJQANCHMSA-N 387.432 3.337 0 1 GGAF CCc1ccccc1NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1 95586291 XYVRXTBGQVAQNM-UHFFFAOYSA-N 385.445 3.127 0 1 GGAF CCC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H](CO)N1C(=O)CC 95668059 GFWGPJZLJJOWAS-TXTKFYIRSA-N 398.478 3.084 0 1 GGAF Cn1cc(-c2ccc(N3CCC(n4ncc5cc(F)ccc54)CC3)nn2)cn1 473179059 ALJMSYJYNXRBSK-UHFFFAOYSA-N 377.427 3.207 0 1 GGAF O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 299875143 CNVWIPAUAMJMCG-JAXLGGSGSA-N 390.439 3.091 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)CN2CCN(C)CC2)N1 587764965 HUZPHQRPYZRPBT-FZKQIMNGSA-N 398.364 3.437 0 1 GGAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](N1CCOCC1)C3 586988340 PNLUXMGYEWMUHD-CQSZACIVSA-N 386.451 3.341 0 1 GGAF COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1C 587576620 JTOALFUTZFBVPX-FXAWDEMLSA-N 379.368 3.220 0 1 GGAF Cc1cc(C(F)(F)F)nn1CCC(=O)n1ncc2ccc(Cl)cc2c1=O 587651853 PYMZSUWZXZFDEP-UHFFFAOYSA-N 384.745 3.304 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn3cccnc3n2)N1 587775552 RQNMAOMRUILLSA-QGHHPUGFSA-N 375.245 3.429 0 1 GGAF CCCSCCCNC(=O)[C@@H](C)n1nc(CC)n2c(cc3occc32)c1=O 5149718 JAALIKOQFSLVRM-CYBMUJFWSA-N 390.509 3.015 0 1 GGAF Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 13799550 MIXOCOJVVUYECQ-UHFFFAOYSA-N 394.406 3.482 0 1 GGAF CC(=O)N[C@@H](C)Cc1ccc(C2CN(c3cnc(NC4CCC4)nc3)C2)cc1 150204967 OEIXQPXHNLHDCN-HNNXBMFYSA-N 379.508 3.112 0 1 GGAF O=C(Nc1ccc(C(=O)N2C[C@H]3COC[C@H]3C2)cc1)N1Cc2ccc(F)cc2C1 166340124 LFNQYOKAFZWIKN-HDICACEKSA-N 395.434 3.092 0 1 GGAF O=C1COc2ccccc2[C@H](c2nnnn2-c2ccc3ccccc3c2)N1C1CC1 203465703 NCSZQCQZZYSBAC-JOCHJYFZSA-N 397.438 3.288 0 3 GGAF Cc1cccc(N2CCN(c3ccc4[nH]c(=O)c(C(C)C)nc4n3)C[C@H]2C)c1 2499697 LXEYOXZFSGVIEG-MRXNPFEDSA-N 377.492 3.465 0 1 GGAF COc1cc2c(NCc3ccc4c(c3)OCCO4)ncnc2c(OC)c1OC 12360801 VSZUBXSKWYKPFV-UHFFFAOYSA-N 383.404 3.039 0 1 GGAF Cc1nn(C(=O)Cc2ccccc2)c2c1[C@@H](c1ccc(O)cc1O)SC(N)=N2 17221744 XHZINRPMSVVDRP-GOSISDBHSA-N 394.456 3.268 0 1 GGAF CCN(CC)CCNC(=O)c1cc2cc(I)ccc2o1 40976657 MYOMVMPUVVJVDZ-UHFFFAOYSA-N 386.233 3.109 0 1 GGAF NC(=S)Nc1cccc(OCCCCCN2CCN(c3cccnc3)C2=O)c1 45291486 ICRFQKGXFHWYAF-UHFFFAOYSA-N 399.520 3.228 0 1 GGAF Cc1cc(=O)[nH]c2cc(Nc3ccnc(Nc4cccc(C(N)=O)c4)n3)ccc12 45336522 KGCKTKYSLJTKAG-UHFFFAOYSA-N 386.415 3.213 0 1 GGAF CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(O)c2)N1C(C)=O 49808144 BTYXAYFKYZQQTA-FPOVZHCZSA-N 378.428 3.299 0 1 GGAF CCc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)CC3)ccc12 72176505 RUYVRSXFFQDHTI-UHFFFAOYSA-N 389.547 3.462 0 1 GGAF 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COc1cc2c3c(c1)O[C@H](c1cc4cc(C)c(C)cc4n4nnnc14)[C@@H](C2)C3=O 587435619 HPXQFMFFEDMEJD-BTYIYWSLSA-N 386.411 3.392 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCS(=O)(=O)c3ccc(Cl)cc31)O2 587408720 DCVUOEZJRDUYKT-SFHVURJKSA-N 377.849 3.269 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(Br)ccc41)[C@@H](C2)C3=O 587416671 FARHXBJRXBSKAO-KPZWWZAWSA-N 386.201 3.053 0 1 GGAF c1cc2c(cc1-c1nnc(SCc3nc4cc5c(cc4[nH]3)OCO5)o1)OCO2 586969032 FYTCDJIKWUVQAN-UHFFFAOYSA-N 396.384 3.363 0 1 GGAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccnc1C(=O)O)[C@@H](C2)C3=O 587435780 KHBAWDZMQASJKQ-GAJHUEQPSA-N 387.391 3.480 0 1 GGAF CCOC(=O)c1nn(C(C)(C)C)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433438 YCVRDEOEHIUOGI-YJYMSZOUSA-N 384.432 3.312 0 1 GGAF CCN1N=C(C(=O)O)[C@]2(c3ccccc31)c1c(F)cccc1C[C@H]1CCCN12 963104160 HGMLCEMHQNNBAP-QRQCRPRQSA-N 379.435 3.370 0 1 GGAF CN1CCC[C@]2(CC1)N[C@H](C(=O)O)Cc1ccc(Oc3ccc(O)cc3)cc12 962931822 YJYZBWGJMIAQHH-RBBKRZOGSA-N 382.460 3.094 0 1 GGAF COc1ccc(Cl)c2c1CCN[C@]21[C@H]2CO[C@H]1CN(Cc1ccccc1)C2 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Cc1ccc(S(=O)(=O)NC[C@@H](CCCCCC(=O)O)c2cccnc2)cc1 13730233 YWVJRHPVHQTZLE-GOSISDBHSA-N 390.505 3.487 0 1 GGAF CC(C)NC[C@H](O)COc1ccc(OCCn2cc(-c3ccccc3)cn2)cc1 27561419 XGUMCGGDPNCIBM-NRFANRHFSA-N 395.503 3.367 0 1 GGAF COc1cc(C(=O)N[C@@H]2CCCN(Cc3ccc4c(c3)OCO4)C2)ccc1C 28464787 YCQSRHAKWNYIRA-GOSISDBHSA-N 382.460 3.127 0 1 GGAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@]4(CC2)CN(Cc2ccccc2)CC[C@@]314 29319349 NDPFOBRCDSRAHC-ZNEWLNCYSA-N 375.468 3.160 0 1 GGAF CC(=O)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1 40533444 RNRCQICMAYSEFP-FVJLSDCUSA-N 384.501 3.117 0 1 GGAF COc1cc2c3c(n(C)c2cc1OC)C(=O)N(C)CC=C3c1ccc(O)cc1 40897736 MCJHXQMDXZSNIZ-UHFFFAOYSA-N 378.428 3.418 0 1 GGAF CN1CCN(CC(=O)NN2c3ccccc3Sc3cc(Cl)ccc32)CC1 66258597 CSEGGUSEIOAOHR-UHFFFAOYSA-N 388.924 3.221 0 1 GGAF CC[C@H]1CN2C(=O)N(Cc3ccccc3)c3nc(-c4cc(OC)no4)[nH]c3C2=N1 72108968 BQKYZCOYBSFRCQ-ZDUSSCGKSA-N 392.419 3.054 0 1 GGAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)OCCCCN(C)C)co1 82073462 GBHUBUWGEBVYAJ-IBGZPJMESA-N 399.491 3.140 0 1 GGAF CC(=O)N1C[C@H]2CN(Cc3ccc(Oc4nc5ncccc5s4)cc3)C[C@@H]2C1 95558934 MWUSGACKQRXZRZ-IAGOWNOFSA-N 394.500 3.394 0 1 GGAF CCCNC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)CC 95895415 YRDHNJKOBIPBLO-SJBKTWHCSA-N 399.535 3.028 0 1 GGAF O=C1[C@@H]2CCCN2C(=O)N1CCCCNCCOc1ccc2ccccc2c1 96933070 ATXMAJPZWMYNTG-FQEVSTJZSA-N 381.476 3.015 0 1 GGAF CC(C)(C)NC(=O)[C@H](OC(=O)c1ccccc1)[C@H]1O[C@@H]1c1ccccc1[N+](=O)[O-] 205634813 DHNVANGNGHGFTF-FGTMMUONSA-N 398.415 3.175 0 1 GGAF COc1nc(-c2ccnc3ccccc23)[nH]c(=NCCc2ccc(F)cc2)n1 473162825 ODMAGZCVLUVPIS-UHFFFAOYSA-N 375.407 3.311 0 1 GGAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cccc3[nH]2)c1 586939933 UQCQZYVPYOAZTB-UHFFFAOYSA-N 383.271 3.007 0 1 GGAF CCOC(=O)c1nn(C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587761398 BDZPADYRWXJLRM-VFZGTOFNSA-N 396.260 3.122 0 1 GGAF COC(=O)c1csc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587852049 JRJFMHZOQGVVBX-WPPNPWJKSA-N 385.258 3.455 0 1 GGAF CC1(C)CCC(Cc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)CC1 587960139 GPKUDKUINVBJFJ-UHFFFAOYSA-N 398.551 3.072 0 1 GGAF O=C(NCCc1ccc(Cl)cc1Cl)[C@H](c1ccccc1)S(=O)(=O)O 653704165 DWQHSBLLKHGBND-HNNXBMFYSA-N 388.272 3.281 0 1 GGAF COc1cnc2c(c1)C(=O)c1c-2n(CCCNC(C)C)c(=O)c2cc(F)ccc12 1772594319 VGOQHXKBHKPKGX-UHFFFAOYSA-N 395.434 3.144 0 1 GGAF CC(=O)O[C@@H]1C(=O)[C@H](C)[C@]2(CC[C@]3(COC(=O)C3)O2)[C@]2(C)CCCC(C)(C)[C@@H]12 2356831512 JPVLHYPFQFKCNU-AHNHMGBDSA-N 392.492 3.204 0 1 GGAF CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc21 6893059 SHMYWEZLVDOCQW-LBPRGKRZSA-N 394.493 3.151 0 3 GGAF Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccc(=O)n(C)n1 13637019 UXHLBAUIGULQHR-QHCPKHFHSA-N 398.466 3.358 0 3 GGAF CCCCN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)CC(C(=O)N(C)C)=C1C 61923392 AHHHCJMSROGPCN-GOSISDBHSA-N 391.556 3.084 0 3 GGAF O=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccccc1F 2465396 GEGJDQLMBOPKOD-UHFFFAOYSA-N 392.271 3.452 0 1 GGAF O=C(NCCCN1CCCC1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 4048908 QHHLYNHMPVXOCG-RBBKRZOGSA-N 377.488 3.381 0 1 GGAF Cc1ccc(Cl)cc1N1CCN(C(=O)c2nc(-c3cccnc3)no2)CC1 9405770 GGGJUJUTNAQXIL-UHFFFAOYSA-N 383.839 3.056 0 1 GGAF CCOC(=O)c1csc(C(=O)CNC(=O)O[C@@H](CC)Cc2ccccc2)n1 28354310 OXTGBICXGVNOSH-AWEZNQCLSA-N 390.461 3.250 0 1 GGAF CN(C)Cc1ccn2c(-c3nc(N)ncc3F)c(-c3ccc(F)cc3)nc2c1 28963802 PRJZZQDPTAVIJR-UHFFFAOYSA-N 380.402 3.380 0 1 GGAF CCOC(=O)[C@H]1CCCN(C(=O)c2cc(OC)ccc2Br)CC1 61930227 NKGULKJMCQUUSP-LBPRGKRZSA-N 384.270 3.263 0 3 GGAF COc1ccc2c(c1)c(CN(C)C)cn2C(=O)c1cc(OC)c(OC)c(OC)c1 40414145 GDQOSKCQHSLKAE-UHFFFAOYSA-N 398.459 3.426 0 1 GGAF O=C(O)CCC/C=C\C[C@H]1[C@H](/C=C/[C@H](O)C2CCCCC2)[C@@H]2O[C@@H]1[C@@H]1O[C@@H]21 195140263 BLPTUHHFIMEDBU-QFPAJLPQSA-N 376.493 3.466 0 1 GGAF COc1ccc(-c2cc3ncccc3c(O[C@@H](C)[C@@H]3CNC(=O)C3)n2)cc1OC 141922439 RPYMEOCZLCXVGD-ZFWWWQNUSA-N 393.443 3.217 0 1 GGAF CCCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1 95893665 AQFYNPWOHOJEDY-QKNQBKEWSA-N 379.460 3.194 0 1 GGAF CCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1c(C3CCCCC3)ccc(=O)n1C2 25429908 BHMAAOBBHVIQNX-WBVHZDCISA-N 378.538 3.055 0 1 GGAF biogenic CCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1c1nc2ccccc2[nH]1 653869286 WOJGXWRFRQLZIG-QAPCUYQASA-N 384.480 3.271 0 1 GGAF Cc1cc(NCCNc2ccnc3cc(Cl)ccc23)nc(NCCCO)n1 653861175 TZRZBAUXEYOFKC-UHFFFAOYSA-N 386.887 3.305 0 1 GGAF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587971344 ZXIHLRGKFUFFOK-RNLVFQAGSA-N 382.216 3.099 0 1 GGAF CN(Cc1nc2ccc(Br)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170306 QPJAABJSJNKDHS-UHFFFAOYSA-N 398.257 3.285 0 1 GGAF Cc1csc([C@](O)(Cc2nc3cc4c(cc3[nH]2)OCCO4)C(F)(F)F)n1 587092899 BNPFVRNDRQHSOT-OAHLLOKOSA-N 385.367 3.092 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(C(F)F)n1 587867732 CUYPMNAHQMYVAU-UHFFFAOYSA-N 387.268 3.253 0 1 GGAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc[nH]c(=N)c3[nH]1)N2 587033010 WYSZGVYFLNFBSP-VKRGWIQLSA-N 386.506 3.497 0 1 GGAF CCCCS(=O)(=O)N[C@H](c1nc2c(Br)ccnc2[nH]1)C(C)C 586932411 FDCLLMLDWVGSKJ-NSHDSACASA-N 389.319 3.137 0 1 GGAF COc1ccc2nc(-c3cc(I)c(N)cc3OC)[nH]c2c1 587179299 UJQFSDNEOJXDTQ-UHFFFAOYSA-N 395.200 3.434 0 1 GGAF O=S(=O)(c1ncccc1-c1nc2cnc(C(F)(F)F)cc2[nH]1)C(F)(F)F 587127018 KPAPPXKWAXCWDG-UHFFFAOYSA-N 396.272 3.332 0 1 GGAF COc1ccc2c(c1)C[C@H](c1nc3cccc(S(=O)(=O)N(C)C)c3[nH]1)CC2 587946094 JRTKTQYANMGJIJ-CQSZACIVSA-N 385.489 3.094 0 1 GGAF COc1cccc2cc3c(nc12)[C@](C[C@H]1COCCN1)(c1ccccc1)NCC3 963061445 CALMEJPFTUFJQI-RDPSFJRHSA-N 389.499 3.011 0 1 GGAF CCN1C=C[C@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)C(N)=C1 962959128 PZIOSQHPZIMUDD-LJQANCHMSA-N 379.426 3.201 0 1 GGAF CC(=O)Nc1cccc2c1[C@]1(CC2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962717571 VBSTVNITQOHHKG-FXAWDEMLSA-N 388.389 3.481 0 1 GGAF CS(=O)(=O)Cc1ccc(N/C=C2\C(=O)Nc3ccc4ncsc4c32)cc1 13470499 VBVWAXVALQTRJZ-JYRVWZFOSA-N 385.470 3.246 0 1 GGAF O=C1NC(=O)N(c2ccc(I)cc2)[C@H]1c1ccccc1 13680089 ZGHYZBSZWYVLDL-ZDUSSCGKSA-N 378.169 3.089 0 1 GGAF Cc1cc(N)nc(CCc2cc(CC[C@H]3COCCN3C)cc(F)c2F)c1 1857597241 WLROZYRNCCIRPN-SFHVURJKSA-N 375.463 3.299 0 1 GGAF CC[C@H](C)c1nc2nc(N3CCC[C@@H](C(=O)N(CC)CC)C3)ccc2nc1O 766805 QLKRJSKQNKYLEQ-LSDHHAIUSA-N 385.512 3.329 0 1 GGAF COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 2487506 BZPLOTZWQZWRFC-HXUWFJFHSA-N 397.519 3.427 0 1 GGAF Cc1nc(N2CCC(C(=O)N3CCC[C@@H](O)C3)CC2)nc2ccc(C(C)C)cc12 11982423 WCAFNMSLPSFNTO-LJQANCHMSA-N 396.535 3.261 0 1 GGAF COc1ccccc1CCN1C(=O)CC[C@H]1CCNCCOc1ccccc1 12279090 YPLIHGQXXJYTFX-FQEVSTJZSA-N 382.504 3.287 0 1 GGAF CN1C[C@H](c2cncn2C)[C@H]([C@@H](OC(=O)c2ccccc2)c2ccccc2)C1=O 14559306 IBZKJMVCDSSXRB-NRSPTQNISA-N 389.455 3.190 0 1 GGAF biogenic COC(=O)c1cc(O)cc(OC)c1Oc1c(Cl)c(C)cc(O)c1C(=O)OC 14618674 DLXJKSNQVHUUOT-UHFFFAOYSA-N 396.779 3.434 0 1 GGAF biogenic CNc1nc2cc(-c3cccc(CCNC(N)=O)c3)sc2n2c(C)cnc12 28950773 SZBKUUYQNSJGMR-UHFFFAOYSA-N 380.477 3.172 0 1 GGAF Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)NCCO 29038325 KTVLBGREAVCBFG-UHFFFAOYSA-N 386.502 3.463 0 1 GGAF O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1 29127733 VRINBNQEDRRWEB-KRWDZBQOSA-N 380.473 3.285 0 1 GGAF O=C(c1cc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1)N1CCNCC1 49051923 YNIBFQFRPICJDT-UHFFFAOYSA-N 384.842 3.377 0 1 GGAF Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(N)nc(F)c2)c1 84739184 NDUQPIUPRCBAMR-UHFFFAOYSA-N 398.438 3.234 0 1 GGAF O=c1nc(-c2ccccc2)c2oc3ccccc3c2n1CCN1CCOCC1 96909996 XZGNFTVMWRWGAX-UHFFFAOYSA-N 375.428 3.142 0 1 GGAF NS(=O)(=O)c1ccc(Sc2nnc(Nc3ccc(F)cc3)s2)cc1 103272776 MSNVIQPZFVBJHA-UHFFFAOYSA-N 382.467 3.219 0 1 GGAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(N4CCOCC4)n3)c(Cl)cn2)CC1 169703733 INSHHFZSDSQXNQ-GASCZTMLSA-N 388.899 3.349 0 1 GGAF COC(=O)[C@H]1[C@@H](OC(C)=O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 197367043 AVICMXMDDSGUEL-BTSRZBPPSA-N 396.487 3.218 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ncc(F)cc4F)ncc23)ccn1 261089318 DEXFIQFUSJAABQ-UHFFFAOYSA-N 395.373 3.323 0 1 GGAF CCOC(=O)[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CO1 586991435 NOVQUQPNHFQGCV-QGZVFWFLSA-N 375.380 3.156 0 1 GGAF Oc1nc(O)c2ccc(-c3ccc(-n4cccn4)c(Br)c3)nc2n1 587365626 FVFZCAGFVBAQFX-UHFFFAOYSA-N 384.193 3.051 0 1 GGAF CCOC(=O)C(=O)C[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587386566 ZVWLINIERYJAKS-NRFANRHFSA-N 385.391 3.099 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc(Br)cc41)[C@@H](C2)C3=O 587416417 AQPVQRLZPMLREK-SGTLLEGYSA-N 386.201 3.053 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(n1cnnc1)CC2 587575585 FZIKWYXTSMBAOW-UARVQCNDSA-N 377.400 3.499 0 1 GGAF COc1cccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587660560 PQTJRXNHKZLSBS-UHFFFAOYSA-N 375.359 3.295 0 1 GGAF C[C@@H]1CCN(Cc2ccccc2)C[C@@]12NC[C@H]1CC(=O)N(C)c3cccc2c31 963023895 IYEYGCFYQWANCC-ROMRWMGNSA-N 375.516 3.477 0 1 GGAF CN1CCN(c2ccc(-c3c(-c4ccc(=N)[nH]c4)cnc4[nH]ccc34)cc2)CC1 1857772461 WMPCPCSYVGTSKK-UHFFFAOYSA-N 384.487 3.456 0 1 GGAF CN(C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)NCc1ccco1)c1ccccc1 2356522240 ZZMZCYKOOBBHMJ-BJLQDIEVSA-N 398.576 3.091 0 1 GGAF Cc1ccn2c(=O)nc(SCC(=O)Nc3cccc4ccccc34)nc2c1 4503775 UGCHTGPPBCGCKH-UHFFFAOYSA-N 376.441 3.282 0 3 GGAF CCn1ncc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c1C 11720755 KQTUNAKZPKRNGP-UHFFFAOYSA-N 396.535 3.491 0 3 GGAF CCC(=O)OCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F 592244 WEUVGDNJFGWKAL-UHFFFAOYSA-N 392.333 3.495 0 1 GGAF COC(=O)C1=C(C)N2CCCO[C@@]2(C)[C@@H](C(=O)OC)[C@@H]1c1cccc(Cl)c1 1635018 AEIJDYWCBYHIFL-HLIPFELVSA-N 393.867 3.112 0 1 GGAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4207612 CENCNOATCHYJEM-SFNKJDCFSA-N 388.851 3.445 0 1 GGAF CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3ccc(O)cc3[nH]2)CC1 5963019 OHVUAYIEDTWESZ-UHFFFAOYSA-N 379.464 3.051 0 1 GGAF Cc1ccc(CNc2ncc3c(N4CCC[C@H](C(=O)O)C4)nccc3n2)cc1 13366917 NTFSPRHHUJDZNA-INIZCTEOSA-N 377.448 3.246 0 1 GGAF COc1cc(C)cc([C@]2(OC)O[C@@H](OC)c3c(OC)cc(O)cc32)c1OC 13431300 SVPSBZJHNOEBRN-WOJBJXKFSA-N 376.405 3.249 0 1 GGAF biogenic CC(=O)O[C@H]1C(COC(=O)c2ccccc2)=CC=C[C@@H]1OC(=O)c1ccccc1 14489390 ZBHLLVTXWGMEMT-SFTDATJTSA-N 392.407 3.497 0 1 GGAF biogenic CCc1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@H]2COc3ccccc3O2)CC1 27889977 OTVDRCBSBRAEEP-SFHVURJKSA-N 393.487 3.369 0 1 GGAF CN(C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)nc3)cc2)C1 28124216 YOKINRLTTWCELM-NRFANRHFSA-N 393.535 3.465 0 1 GGAF CC(=O)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccccc1 28348869 RNRCQICMAYSEFP-CSODHUTKSA-N 384.501 3.117 0 1 GGAF Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cc1C 45260284 TVFNXHKLNJJMTM-RTBURBONSA-N 380.488 3.444 0 1 GGAF Cc1nonc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(NC(C)C)cc1 45334592 LMBAOVZSTQPJJK-KRWDZBQOSA-N 380.452 3.191 0 1 GGAF COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NC4CC(C)C4)nnc23)c1 71280841 XGEQEYJHZCAALH-UHFFFAOYSA-N 392.459 3.425 0 1 GGAF CN(C)C(=O)c1ccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1F 114772076 JGIUZFYRGUHFGX-UHFFFAOYSA-N 384.411 3.024 0 1 GGAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CCC2)c2cc[nH]c2c1=O 146474834 YIIWYSIHAIFNCE-UHFFFAOYSA-N 386.473 3.116 0 1 GGAF CC/C=C\C[C@@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C/[C@@H](O)CCC(=O)O 149495005 QBTJOLCUKWLTIC-FGNGSLBKSA-N 376.493 3.461 0 1 GGAF Nc1ncc([C@@H]2c3ccccc3CCN2S(=O)(=O)Cc2ccccc2)s1 299866530 WCIZGNJDDXDVCM-SFHVURJKSA-N 385.514 3.203 0 1 GGAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](N1CCOCC1)C3 586988339 PNLUXMGYEWMUHD-AWEZNQCLSA-N 386.451 3.341 0 1 GGAF Oc1c(Br)ccc2nc(CSc3nnc(S)s3)[nH]c12 587026177 VEWOCRSLYINXAE-UHFFFAOYSA-N 375.298 3.464 0 1 GGAF O=C1CSC[C@@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)N1 587042768 GFYRHRZWJMHZMR-VIFPVBQESA-N 380.189 3.248 0 1 GGAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 587155471 METOJABMQHCOQP-UHFFFAOYSA-N 384.230 3.320 0 1 GGAF COc1ccccc1NC(=O)[C@@H](N=O)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587389207 JHKPCQZDMKQOIY-UYAOXDASSA-N 383.404 3.083 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)ncc1Br)[C@@H](C2)C3=O 587420110 WKTZIFUJIKRLNU-GTNSWQLSSA-N 376.206 3.350 0 1 GGAF COCCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587444485 ZHYDVUGXPCLTKZ-ZHRRBRCNSA-N 384.428 3.392 0 1 GGAF O=C(O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587607328 HYMWFSBSHBKPIK-XLIONFOSSA-N 378.336 3.499 0 1 GGAF CCOC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2c(C(=O)O)cccc12 587637335 BIJYTPWEEVAYEM-UHFFFAOYSA-N 396.399 3.469 0 1 GGAF Cn1ccc(-c2ccnc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)n1 587660998 KHHWDTIIPUOEMZ-UHFFFAOYSA-N 398.401 3.382 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1cc(F)ccc12 587735287 SYSNNYCKBMIGLC-YYSFKGJASA-N 393.231 3.482 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1ccccc12 587765136 BMOSJXKQKHFVAG-MGNBDDOMSA-N 375.241 3.342 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ncccc1NC(=O)OC(C)(C)C)NCC2 962920547 BTLWVCIGWMGAMN-GOSISDBHSA-N 396.491 3.366 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@]1(NCC2)C(=O)Nc2ccc(-c3ccccc3)cc21 962928479 YOYLHCBEFMIJMV-RUZDIDTESA-N 397.478 3.397 0 1 GGAF COc1cc2c(cc1OC)[C@@]1(CCc3c(N)cccc31)NCC21CCOCC1 963187020 KWUSRJQYMNEUIV-QHCPKHFHSA-N 380.488 3.127 0 1 GGAF CC(=O)Nc1ccc(CN2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)cc1 20994303 VFLSOIADOOGYSM-QHCPKHFHSA-N 381.520 3.022 0 3 GGAF COc1cccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4o3)C2)c1OC 201461429 GDMZAFDGGXJSCF-INIZCTEOSA-N 395.459 3.378 0 3 GGAF C=C1c2cccc(O)c2C(=O)c2c1cc(O)c1c(=O)cc([C@H](C)[C@@H](C)O)oc21 2356382011 JPIKFLJADUHSCV-MWLCHTKSSA-N 378.380 3.294 0 1 GGAF Cc1ccc(C(=O)O)cc1NC(=O)CSc1nnc(-c2ccc(O)cc2)o1 103292910 SGGBXISODWGGIB-UHFFFAOYSA-N 385.401 3.180 0 1 GGAF O=C1[C@H]([C@H](O)c2ccc3c(c2)OCCO3)CCCN1C/C=C/c1ccccc1 103280844 IZTBJFHZCNUHHX-KOCFURLCSA-N 379.456 3.443 0 1 GGAF Cc1ccc2c(c1)CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 22941242 IMIITABQEXKZPN-UHFFFAOYSA-N 383.923 3.355 0 1 GGAF NCCCCCCCCCCCCNc1ccn([C@@H]2CC[C@H](CO)O2)c(=O)n1 29559640 NIVSTOPDMRKWBH-QUCCMNQESA-N 394.560 3.185 0 1 GGAF CS(=O)(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1 28563129 OPVHPVTWTLCGCZ-UHFFFAOYSA-N 395.528 3.273 0 1 GGAF CN1CCN(C2=Nc3cc(F)ccc3Nc3nn(Cc4ccccc4)cc32)CC1 26573919 QKQSKLHSYVEDTO-UHFFFAOYSA-N 390.466 3.453 0 1 GGAF CC(C)(C)[C@@](CCc1ccc(Cl)cc1)(Cn1cncn1)OP(=O)(O)O 2356843493 NMJXDYGJGLTLDI-MRXNPFEDSA-N 387.804 3.459 0 1 GGAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)C(=O)[C@H]1C(C)(C)CCC[C@]21CO 14774138 JTJFUDHKPWGQGT-FPOVZHCZSA-N 376.449 3.052 0 1 GGAF biogenic C[C@]12C[C@H](CC3=C1[C@H](OC(=O)c1ccccc1)[C@@H](c1ccoc1)OC3=O)OC2=O 36409151 VMPUNXPSXDRNOX-TVZIFOOBSA-N 394.379 3.125 0 1 GGAF CC1=C[C@H](C[C@]2(C)O[C@H]2COc2c3ccoc3cc3oc(=O)ccc23)OC1=O 13360954 RJCCYQUNRFJCPC-CNBXIYLPSA-N 382.368 3.337 0 1 GGAF biogenic COc1ccccc1N1CCN(Cc2ccc3oc(=O)cc(OC)c3c2)CC1 45495654 BFAFNHTZRFKRKD-UHFFFAOYSA-N 380.444 3.132 0 1 GGAF O=C1[C@@H]2[C@@H](ON3c4ccccc4C(=O)[C@@]23c2ccccc2)C(=O)N1c1ccccc1 135738434 MFGKNCXXMLCDSY-DCLXLUIPSA-N 396.402 3.088 0 1 GGAF CCOC(=O)c1c(N2CCN(c3ccccc3)CC2)n(C)c2ccc(O)cc12 40566766 VCQYNQCUNOHGBJ-UHFFFAOYSA-N 379.460 3.387 0 1 GGAF O=C(c1c(-c2ccc3[nH]ncc3c2)nnn1Cc1ccccc1)N1CCCCC1 147904997 QKILYTZWSKQLLU-UHFFFAOYSA-N 386.459 3.496 0 1 GGAF CC[C@H](C)NC(=O)c1ccccc1CN(C)Cc1ccc2c(c1C(=O)O)OCO2 95921032 LEXXIHURLIJXII-AWEZNQCLSA-N 398.459 3.274 0 1 GGAF in-vitro NC(=O)c1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccncc3c2=O)c1 653886008 UWKUGHMJQNYQEX-RMKNXTFCSA-N 386.386 3.189 0 1 GGAF O=C(O)c1cc(S(=O)(=O)NCc2ccccc2Cl)c2ccccc2c1O 653731260 SRCMPGMYNOFYLZ-UHFFFAOYSA-N 391.832 3.376 0 1 GGAF Cc1cc(S(=O)(=O)N2[C@H](CO)CC[C@@H]2c2ccc(F)cc2)cc(C)c1F 653775507 DBZDCJRBMOZLQI-FUHWJXTLSA-N 381.444 3.468 0 1 GGAF CCc1ccc(C(=O)CCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 587957426 ZSQFMUYVRRDNQW-UHFFFAOYSA-N 385.489 3.191 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCN1CCCCC1 587869887 QJIWXDMCBURRNW-UHFFFAOYSA-N 382.386 3.489 0 1 GGAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(Br)ncc2[nH]1)C(C)C 586933470 SMBLCKRHDVYENQ-CYBMUJFWSA-N 389.319 3.137 0 1 GGAF COC(=O)c1ccc(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587392070 WKEQEWDUACLYOT-NRFANRHFSA-N 382.416 3.117 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc(F)cc1 587569273 HIPWAKGLVPXQDZ-DYESRHJHSA-N 380.327 3.473 0 1 GGAF O=C1COc2cc3[nH]c(-c4cc(C(F)(F)F)ccc4C(=O)O)nc3cc2N1 587109833 WDCKEDKUWOHSRA-UHFFFAOYSA-N 377.278 3.278 0 1 GGAF CCCC1=C[C@]2(CC(=O)O1)c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962667419 NVBGFEOKHCPCJN-FCHUYYIVSA-N 380.444 3.160 0 1 GGAF Cc1cc(N2CCN(C)CC2)n2nc(N[C@H](C)c3cccc(Cl)c3)nc2n1 1772604927 NVJVCODNTYFQLU-CQSZACIVSA-N 385.903 3.011 0 1 GGAF O=C1CN(c2cccc(Cl)c2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1 13763615 FOOMDLMKDLSIIG-UHFFFAOYSA-N 385.228 3.151 0 1 GGAF COCCNC1=N[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N1Cc1ccccc1 15937383 TWMPZOWZKCRRGF-NRFANRHFSA-N 393.487 3.283 0 3 GGAF O=C(c1ccc2c(c1)CCO2)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 206057190 DICHUHKIHGTKLS-DYVFJYSZSA-N 386.810 3.289 0 3 GGAF O=C(N[C@@H]1CCCOC1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 167854388 BVLMTWMCKWSCKU-LJQANCHMSA-N 383.423 3.282 0 1 GGAF CC[C@@H]1[C@H](OC(C)=O)[C@H](C)[C@H](OC(=O)c2cccnc2)C(C)(C)[C@@H]1OC(C)=O 205916715 PJANGBLGXVISJT-DQDQBAQVSA-N 391.464 3.173 0 1 GGAF CN(C)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1F)S2 3588018 YUQQALDDDNMMOJ-PDGQHHTCSA-N 385.464 3.202 0 1 GGAF COc1ccc(-n2nc(C)c3c2OS(=O)(=O)C[C@@H]3c2ccc(F)cc2)cc1 1857547506 ROXGKKDJWRFFRF-QGZVFWFLSA-N 388.420 3.183 0 1 GGAF Cc1nc2cc(C)c3c(N)c(C(=O)NC4Cc5ccccc5C4)sc3n2n1 1857617048 OAUVSJIXYRZCNZ-UHFFFAOYSA-N 377.473 3.040 0 1 GGAF CC(=O)N1CCc2c(c(-c3nccc4ccccc34)nn2C2CCOCC2)C1 1857645801 VMJMSPHTXHEYKI-UHFFFAOYSA-N 376.460 3.354 0 1 GGAF CN(C)CCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc21 28383188 AINIRABQPWWMRI-UHFFFAOYSA-N 388.471 3.073 0 1 GGAF COCCOc1cc(OC)cc(OC)c1[C@@H](OC)c1ccc(OC)c(OC)c1 2356417258 WFQUJVPQIYCOMB-NRFANRHFSA-N 392.448 3.482 0 1 GGAF CCCCN(CC)C(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 6936398 SARJRSBKKQDXBQ-QGZVFWFLSA-N 398.555 3.418 0 1 GGAF O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C/COc2ccc(Cl)c1c2 103258302 PRQVABJPYZFCOM-KROLTMCQSA-N 387.819 3.093 0 1 GGAF CCOC(=O)[C@H]1[C@H]2NC(=O)N(Cc3ccccc3)[C@@]1(C)Oc1c(OC)cccc12 101907847 NDVKPDKVBTWJQB-FGSXEWAUSA-N 396.443 3.250 0 3 GGAF CSc1ccc(CN2CC[C@@]2(C)C(=O)NCc2ccc3c(c2)OCO3)cc1 61930026 NUBLJGMBGCWILM-NRFANRHFSA-N 384.501 3.418 0 3 GGAF C[C@]1(CC=Cc2ccccc2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@@H]1O 2356604866 JLWBRRAWPRZLAK-NZQKXSOJSA-N 394.423 3.149 0 1 GGAF CC/C=C\C[C@@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@@H](O)C/C=C\CCC(=O)O 113198075 IKFAUGXNBOBQDM-FYSWCGKBSA-N 376.493 3.461 0 1 GGAF CC(C)(C)NC(=O)[C@@H](NC(=O)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1 26745172 SMQWVASILUKVIT-VUVZNRFTSA-N 380.444 3.170 0 1 GGAF COC[C@@H]1[C@H](COC)Cc2cc3c(cc2[C@H]1c1ccc2c(c1)OCO2)OCO3 14435192 XNZRAIUXPDCEOA-LBUQITIBSA-N 384.428 3.357 0 1 GGAF biogenic COc1cc2c(cc1OC)-c1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C=O)CC3 14639543 HIKWAONBTVZAOK-HNNXBMFYSA-N 399.443 3.008 0 1 GGAF biogenic COc1ccc2cc3[n+](cc2c1NCCN(C)C)CCc1cc2c(cc1-3)OCO2 40424341 QJGCWQARRDLNMI-UHFFFAOYSA-O 392.479 3.061 0 1 GGAF Cc1nc2cccc(-c3cc4n(c3)[C@@H](CCO)CNC4=O)c2nc1NC(C)(C)C 222423658 QWIPSLMHCCVXCL-HNNXBMFYSA-N 393.491 3.284 0 1 GGAF CN(C)Cc1ccc(-c2ccc(S(=O)(=O)NC[C@H]3CCCO3)c(F)c2)cc1 230558678 XEUWUJOCUUSKDF-GOSISDBHSA-N 392.496 3.012 0 1 GGAF CC(C)CCNc1ccc(-c2cnc3ccc(N[C@@H]4CCN(C)C4)nn23)cn1 96907651 RUDLWCBRULBWIA-QGZVFWFLSA-N 379.512 3.365 0 1 GGAF O=S(=O)(NCCCN1CC[C@H]2CCCC[C@H]2C1)c1ccc2ncccc2c1 254120905 UFCRUQMUSOIQNF-MJGOQNOKSA-N 387.549 3.415 0 1 GGAF CCNC(=O)Nc1cc(-n2ccnc2)c(C(=O)Nc2cccc(Cl)c2)cn1 299833571 YQYCIWQOVOMHTE-UHFFFAOYSA-N 384.827 3.314 0 1 GGAF CCOC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(-c3ccco3)nc12 299834042 QZWUMCQUZKEPGT-UHFFFAOYSA-N 381.367 3.312 0 1 GGAF CCOC(=O)C(=O)[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586989638 NJSHXNLQMDWUOH-CQSZACIVSA-N 387.391 3.314 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2CCS(=O)(=O)CC2)N1 587847100 WIBGRGZGFZAVHE-HWPZZCPQSA-N 390.318 3.162 0 1 GGAF CC1CCC(NS(=O)(=O)Cc2nc3ccc(Br)cc3[nH]2)CC1 586952171 DBXMLCJPKCQZIB-UHFFFAOYSA-N 386.315 3.324 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccnc(OC)c3[nH]2)cc1 587041050 URAATTMYAGSOGY-OAHLLOKOSA-N 384.461 3.253 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1F)[C@@H](C2)C3=O 587428499 OYTXNFBAUFNWBU-XBHMSOGKSA-N 377.412 3.160 0 1 GGAF Cc1csc([C@@](O)(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)C(F)(F)F)n1 587095200 YYBTWNQXKGVRTD-AWEZNQCLSA-N 389.330 3.158 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(C=C(CN3CCCCCC3)OCC1=O)CC2=O 587475837 QIDLIFONEQYOTP-HSZRJFAPSA-N 399.487 3.408 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc(O)cc1 587606353 DPQDUJGCDDGQAW-LAUBAEHRSA-N 378.336 3.040 0 1 GGAF COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587448423 IXXNEKMGZFZULF-KXBFYZLASA-N 392.860 3.036 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C(=O)O)n2)N1 587775064 YNJJMHQBTPWGCN-XYZCENFISA-N 379.229 3.479 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc3c2NCCO3)N1 587799026 VVEAXLPXXKDMDY-FVMDXXJSSA-N 378.245 3.411 0 1 GGAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc3nc(O)[nH]c3cc2[nH]1 587044066 YJXUOMMKSYPBAK-AWEZNQCLSA-N 385.836 3.454 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(I)o1)[C@@H](C2)C3=O 587427695 KQUVWUKHPNQVRS-VFZGTOFNSA-N 382.153 3.382 0 1 GGAF N=c1[nH]ccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc12 587006727 RAHPXAGOXVNQKL-UHFFFAOYSA-N 396.248 3.010 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ncccn2)N1 587741022 FTEPOXGKCAIBDB-DYZYQPBXSA-N 393.260 3.156 0 1 GGAF COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587378217 MYKTYTYSAWUVTC-HXUWFJFHSA-N 387.819 3.224 0 1 GGAF CC(C)(C)OC(=O)N1CCC(F)([C@H]2c3ccsc3CCN2C(N)=O)CC1 962711847 MPLDCWXWWCGZSE-CQSZACIVSA-N 383.489 3.465 0 1 GGAF COc1ccnc([C@@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1 962658544 DFBGGNQESVYVQB-FGZHOGPDSA-N 377.444 3.001 0 1 GGAF COc1cc2ncnc(N3CCN(C(=O)Nc4cccs4)CC3)c2cc1OC 13491528 DQFSRVKDTGSZIZ-UHFFFAOYSA-N 399.476 3.063 0 1 GGAF COc1cc2c(cc1O)[C@@H]1O[C@@H](OC)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 15257574 NRJVOXUCVMTVSZ-IRFCIJBXSA-N 385.416 3.075 0 1 GGAF endogenous,in-man COc1ccccc1N1CCN(CCc2oc(=O)oc2-c2ccc(F)cc2)CC1 1999959 DFFALYOWHKEKBI-UHFFFAOYSA-N 398.434 3.412 0 1 GGAF COc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)CC2)cc1 4472831 APDUSXPRYNKWRC-OIAKUDKHSA-N 396.487 3.224 0 1 GGAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](C(=O)NC[C@@H]1CCCO1)[C@@H]2O 13681747 ACLJBHUSJJAZGD-OVNPLQAISA-N 399.531 3.131 0 1 GGAF O=C(CN1CCN(Cc2cccs2)CC1)[C@](O)(c1ccccc1)C1CCC1 22940399 VBGMDJIXPSBXMG-QFIPXVFZSA-N 384.545 3.123 0 1 GGAF O=C(Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccsc1)OC[C@@H](O)CO 27075596 MVNYVIZRUVYLIB-AWEZNQCLSA-N 393.848 3.162 0 1 GGAF CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)C(=O)Nc1ccccc1 27323574 ZVPAIELEHKCIBT-KRWDZBQOSA-N 399.472 3.123 0 1 GGAF COc1cc2nc3c(c(N)c2cc1OC)CCC[C@@H](CNC(=O)c1ccco1)C3 27550406 IQHGWJHATVPELH-CYBMUJFWSA-N 395.459 3.352 0 1 GGAF C[C@H](CCc1ccc(C(F)(F)F)cc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 27743117 YTPRDMVYEYOTPX-XIKOKIGWSA-N 396.409 3.154 0 1 GGAF Nc1ccc(Cl)cc1C(=O)NC1CCN(Cc2ccc3c(c2)OCO3)CC1 28524409 SYWLZLQWXKYATL-UHFFFAOYSA-N 387.867 3.045 0 1 GGAF CC(=O)c1ccc(NC(=S)OCCN2C(=O)c3ccc(C)cc3C2=O)cc1 40900530 AGPOOPCLPGXQJH-UHFFFAOYSA-N 382.441 3.207 0 1 GGAF CCCCC/C=C\C/C=C\C[C@H](O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 96094948 LVNITLZCNUEXQK-BREXBNEYSA-O 384.537 3.303 0 1 GGAF in-vitro COc1ncc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cn2)cc1F 117448365 AHSCWWTXGYZDOT-UHFFFAOYSA-N 378.411 3.407 0 1 GGAF C[C@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4C)cc3n21 117692385 UABDEGYXSZJSQL-ZDUSSCGKSA-N 387.443 3.475 0 1 GGAF CCOc1ccc(C[C@@H]2CN3C(=[N+]2CC[C@@H]2C[C@@H]4CC[C@@H]2C4)NC[C@@H]3C)cc1 141581979 ZMGRVWMXWPRHFE-PQZYZXGRSA-O 382.572 3.499 0 1 GGAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3C#N)cc2OC)c1 224680082 UTPDQPQSXIPZQG-CYBMUJFWSA-N 376.416 3.457 0 1 GGAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 586950809 DBAQORRDCCCPHS-UHFFFAOYSA-N 392.384 3.265 0 1 GGAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cccc(Br)c2[nH]1 586953965 UZUYWYZTDPFYNT-UHFFFAOYSA-N 387.284 3.129 0 1 GGAF N=C(N)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587002403 DZKJVTNILPGVOL-JTQLQIEISA-N 399.248 3.245 0 1 GGAF O=S(=O)(O)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006367 LXFKIXOGOPZSAA-UHFFFAOYSA-N 392.234 3.492 0 1 GGAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cnc(Cl)[nH]c-2n1 587114361 ZODLFLXNWMPTCG-HNNXBMFYSA-N 383.761 3.376 0 1 GGAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(Br)c(O)c2[nH]1 587224500 JESMGSNFJCERFE-SNVBAGLBSA-N 390.237 3.115 0 1 GGAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4[nH]c(O)nc(NCc5ccccc5)c-4n1)(C3)C2 587969304 LGPANVAFGTWJHT-FNOITCOFSA-N 389.459 3.269 0 1 GGAF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c(C)n1Cc1ccncc1 962894447 JHGJSAVWDRMAMN-LEWJYISDSA-N 379.435 3.376 0 1 GGAF C[C@]1([C@@H]2C=C(C(=O)O)NN2c2ccccc2)c2c(F)cccc2C[C@@H]2CCCN21 963103655 LUWVXDGEZYVJFP-NYDSKATKSA-N 393.462 3.423 0 1 GGAF Cc1cc(-c2nc3ccccc3n2CC2CCN(C(=O)CO)CC2)cc(C)c1O 1857568701 JQIZLCCTAYQZIS-UHFFFAOYSA-N 393.487 3.257 0 1 GGAF Cc1c(C(=O)N2c3ccccc3C[C@H]2C)cnn1-c1nc(O)c2sccc2n1 1857578545 GXDGYNVUVVWKTI-LLVKDONJSA-N 391.456 3.482 0 1 GGAF COCCNC(=O)c1ccc(C2(CNc3ccc(OC)c(OC)c3)CC2)cc1 1857605783 RSZJFYPHMWLZII-UHFFFAOYSA-N 384.476 3.224 0 1 GGAF Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3C)C[C@@H]12 205223845 UHRDYMXNXQJWQF-WBVHZDCISA-N 390.892 3.380 0 3 GGAF O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCCC1=CCCCC1 2966775 XCOCFRNPXWRIFF-QGZVFWFLSA-N 396.516 3.141 0 1 GGAF O=C(CCC(=O)N1C[C@H]2CCCN2c2ccccc21)NCc1ccccc1F 6914776 CUWHYEOHXJNHIC-QGZVFWFLSA-N 381.451 3.238 0 1 GGAF C[C@@H]1CC=C(Nc2cccc(Br)c2)c2ncc(C(=O)O)c(=O)n21 101200186 DYBOLYDRHVFACW-SECBINFHSA-N 376.210 3.122 0 1 GGAF CCCCC[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](N3CCCC3)C(=O)N21 26953882 BVJROXPAKCJCCZ-IRFCIJBXSA-N 394.519 3.094 0 1 GGAF CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3NCc2ccccn2)cc1 2356844548 NWKCHIFESNJOHM-XRXFAXGQSA-N 397.475 3.078 0 1 GGAF COCCN(CCOC)c1nn2c(-c3ccccc3)nnc2c2ccccc12 33891487 RMXHNVJURKDVJK-UHFFFAOYSA-N 377.448 3.044 0 1 GGAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc2c(c1)nnn2C 215902287 FMHNFFMYNNKLRL-KRWDZBQOSA-N 380.448 3.239 0 1 GGAF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1 82195535 XARBWBOKSLRMGB-KRWDZBQOSA-N 375.494 3.497 0 1 GGAF CC(=O)NCCn1c(-c2ccoc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179212 MAKMWYJHFSWQHX-UHFFFAOYSA-N 390.447 3.143 0 1 GGAF CCOc1ccnc(OCC)c1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 226088435 YPUWWCHQRIEVFV-ULQDDVLXSA-N 397.475 3.346 0 1 GGAF CN(Cc1cccc(Cl)c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40565101 ILUIZGNZMNAGAH-IBGZPJMESA-N 392.837 3.230 0 1 GGAF CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(NC(=S)NCc3ccccc3)C(=O)[C@H]12 253676402 DXHRWRQLRWGVBH-PJVZLEMVSA-N 397.544 3.035 0 1 GGAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 299874341 BGAFBUDOOJUNFM-POZUXBRTSA-N 390.842 3.458 0 1 GGAF CCN(CCCNC(=O)/C=C/c1ccc(O)c(OC)c1)Cc1ccccc1OC 653715471 RCNIUIPXQZRGMR-ACCUITESSA-N 398.503 3.451 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1nc[nH]n1 587591905 XITWJZGTFSKAAT-XMSQKQJNSA-N 385.379 3.416 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CS(=O)(=O)c1ccc(Cl)cc1)O2 587409812 UMGLGKZFYIGFIU-SFHVURJKSA-N 379.865 3.428 0 1 GGAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(S(C)(=O)=O)cc2[nH]1 587067088 NDJRZKJRNCZIPY-UHFFFAOYSA-N 394.836 3.020 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1S(=O)(=O)c1ccccc1)O2 587409122 KIRAWQDOINLDKJ-LJQANCHMSA-N 382.441 3.322 0 1 GGAF N=c1cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2c[nH]1 587155355 XORNLWBPAHPWJR-UHFFFAOYSA-N 377.379 3.194 0 1 GGAF Clc1ncnc2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 587001745 GOVIMPONNKYBSV-UHFFFAOYSA-N 377.633 3.361 0 1 GGAF Cc1nc([C@H](CN)NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]2)sc1CO 1772617005 MCQVPZOUGOTCGO-HNNXBMFYSA-N 390.896 3.022 0 1 GGAF O=C(NCC1CC1)C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1 11874086 SUBYWFLZMHLDHY-UHFFFAOYSA-N 382.508 3.035 0 1 GGAF COc1ccc(C(=O)c2c(C)n3c4c(cccc24)C[C@H](N2CCOCC2)C3)cc1 13447479 AXUUNHPPRGXURN-IBGZPJMESA-N 390.483 3.446 0 1 GGAF COCOC(=O)Cc1cccc2c(=O)c3c(oc12)-c1ccccc1OC(=O)N3 13526465 AHYUWADCPXRWTQ-UHFFFAOYSA-N 381.340 3.074 0 1 GGAF CCO[C@H]1OC(C(=O)NC2CC2)=C[C@@H](c2c[nH]c3ccccc23)[C@@H]1CCCO 13657259 UIHCIMGMERTXLI-JKSBSHDWSA-N 384.476 3.196 0 3 GGAF Cc1ccc(NC(=O)c2cc(-n3c(O)ccc3O)ccc2N2CCOCC2)cc1 169691634 QHZDWAYEHLTXRB-UHFFFAOYSA-N 393.443 3.286 0 1 GGAF CC(=O)N1CCc2c(c(-c3cc(C#N)ccn3)nn2Cc2ccc(F)cc2F)C1 204886169 IGVWNVFJKYGJEJ-UHFFFAOYSA-N 393.397 3.048 0 1 GGAF CC[C@@H](C)NC(=O)c1c(NC(=O)c2ccc(OC)cc2)nc2ccc(C)cn12 1857587110 VNWXZLDTNAKJOY-CQSZACIVSA-N 380.448 3.432 0 1 GGAF COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 1857629248 IMCLZLUHJZCWCW-UHFFFAOYSA-N 392.337 3.312 0 1 GGAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@H]2C)OCO4)c1 1643579 ZQNFTINNMOXUHL-GAQQMNMRSA-N 383.444 3.243 0 1 GGAF CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOCCO)cc1 4049167 GSHFDKOQCZWYHV-IRLDBZIGSA-N 396.487 3.027 0 1 GGAF O=C([C@H](NS(=O)(=O)c1cccs1)c1ccccc1)N1CCc2ccccc21 4880200 QBXFTCSHSVCBIQ-LJQANCHMSA-N 398.509 3.357 0 1 GGAF CCc1c(Cc2cccc3ccccc23)n2c(nc1=O)SC[C@@H]2OCCO 6010339 TVYUHQCANCYRBZ-IBGZPJMESA-N 382.485 3.163 0 1 GGAF CC(C)(O)CCC[C@](C)(O)CC(=O)c1cc(O)c(Br)cc1O 13430775 KGQBMEHTCOJIMT-INIZCTEOSA-N 375.259 3.125 0 1 GGAF biogenic COc1ccccc1N1CCN(Cc2ccc(CN(C(C)=O)C(C)C)n2C)CC1 13743838 LKZRCPKUNMYEDG-UHFFFAOYSA-N 398.551 3.113 0 1 GGAF CN1C[C@H](c2c[nH]cn2)[C@@H]([C@@H](OC(=O)c2ccccc2)c2ccccc2)C1=O 14953282 MSVMMGAYQMSSSG-HOJAQTOUSA-N 375.428 3.180 0 1 GGAF biogenic CN(CCc1ccccc1)C1CCN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1 26822461 SAPNVCGANNDHTD-OAQYLSRUSA-N 391.515 3.278 0 1 GGAF COc1ccc(C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 28571545 AMZMREZQJXXMIB-OAQYLSRUSA-N 385.423 3.241 0 1 GGAF CCN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 29128819 NZHYOLNTGNGMON-UHFFFAOYSA-N 386.429 3.093 0 1 GGAF CC(C)c1cc(Oc2c(Cl)cc(NC(=O)C(=O)O)cc2Cl)nnc1O 34842510 AZRFPEWTWCMINZ-UHFFFAOYSA-N 386.191 3.428 0 1 GGAF CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 40847133 IDFHLDRTPQHTBX-ROUUACIJSA-N 396.487 3.300 0 1 GGAF O=C(CCCN1c2ccccc2[C@@H]2C[C@H]3CNCCN3C[C@H]21)c1ccc(F)cc1 58509540 IIYOGQVRYCSVTF-IEIRFRATSA-N 393.506 3.439 0 1 GGAF CN1CCN(CCOc2ccc(C(N)=O)cc2/C=C/c2ccc(Cl)cc2)CC1 73197162 GRHCBBLQXFWVKH-GORDUTHDSA-N 399.922 3.236 0 1 GGAF CN(C)CCCNc1nnc(-c2ccc(NC(=O)c3ccccc3F)cc2)o1 84618721 WXOPEGWACKZBCE-UHFFFAOYSA-N 383.427 3.492 0 1 GGAF CCCCCN1CCN(C(=O)c2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1 103173558 BHIKZGNFFUUMPJ-UHFFFAOYSA-N 399.560 3.265 0 1 GGAF CC(C)COCCCNC(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166281606 UTEYNYMXLGEHKM-UHFFFAOYSA-N 396.491 3.422 0 1 GGAF COc1cc(Cn2c(O)c(Cc3c[nH]c4ccccc34)oc2=O)cc(OC)c1 169713930 IPWQALFJIXCCPC-UHFFFAOYSA-N 380.400 3.285 0 1 GGAF CN(c1ncc(F)cn1)[C@H]1CCc2c(CC(=O)O)c3ccc(Cl)cc3n2C1 203541433 DKYQXNKMOGONOO-ZDUSSCGKSA-N 388.830 3.302 0 1 GGAF CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1 205650715 QMNKPHBCOVOXCW-UHFFFAOYSA-N 395.854 3.457 0 1 GGAF O=C(NC1CNC1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 584630269 WUJPWPAWXFHLIH-UHFFFAOYSA-N 388.349 3.143 0 1 GGAF N[C@@H](Cc1cccc(Br)c1)c1nc2nc(Br)c[nH]c-2n1 586983774 IWCNZZFNMXEGFC-VIFPVBQESA-N 397.074 3.072 0 1 GGAF Brc1cnc2c(-c3nc4ccnc(Br)c4[nH]3)cnn2c1 587006948 VBMBVPDCIFFPAD-UHFFFAOYSA-N 394.030 3.193 0 1 GGAF COc1cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1F 587037005 CYYJIMKWMPMEHO-SECBINFHSA-N 387.440 3.458 0 1 GGAF O=S(=O)(c1ncccc1-c1nc2cc3c(cc2[nH]1)OCCCO3)C(F)(F)F 587127236 QFZNDPGAHRCTRB-UHFFFAOYSA-N 399.350 3.080 0 1 GGAF CN(C)C(=O)c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587161865 RYLPNWZDTVFSHU-UHFFFAOYSA-N 398.829 3.364 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)oc3nc(Br)nn13)O2 587374316 WEUCYWAUPCKXNL-INIZCTEOSA-N 391.225 3.164 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c(C(=O)OCC)nn(C)c31)CC2=O 587475281 LDMCEMRLCXJQEW-QFIPXVFZSA-N 398.459 3.452 0 1 GGAF Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc2ncnn12 587799493 ZOLCWSPKZMQRJM-XYZCENFISA-N 390.260 3.132 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)NCCc1ccccn1 587868852 VBPKLMLWQDCQID-UHFFFAOYSA-N 391.353 3.168 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@H](c3cc(Br)cnc3F)c3cccc1c32 963024857 MGLIQVHQJKMYRB-ABKXIKBNSA-N 376.229 3.126 0 1 GGAF COc1cc(OCCNc2ccncc2)cc(S(=O)(=O)c2ccccc2)c1 13494023 JFYFVXAEDOKQHE-UHFFFAOYSA-N 384.457 3.414 0 1 GGAF O=P(O)(O)C(F)(F)c1cc(C(F)(F)P(=O)(O)O)c2ccccc2c1 27105176 CNHKOSGDNPBIHP-UHFFFAOYSA-N 388.146 3.294 0 1 GGAF COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(/C=C\I)cc1 34892347 KQVBEYNRGLHRTA-UEDYQVLESA-N 385.245 3.301 0 1 GGAF O=C(NCC1CCN(C(=O)c2ccncc2)CC1)NC12CC3CC(CC(C3)C1)C2 36330670 ZEFJJQVLJWSOFH-UHFFFAOYSA-N 396.535 3.202 0 1 GGAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13CC[C@@H](C[C@@H]21)[C@H](CS(C)(=O)=O)[C@H]3O 40764200 IFGGQOZWLVIFLY-YOFIRYATSA-N 398.565 3.116 0 1 GGAF COc1cc([C@@H]2/C(=C(\O)OC(C)C)C(C)=Nc3ncnn32)cc(OC)c1OC 101632823 PTZWRPAFVKCRFN-YWJBVVMDSA-N 388.424 3.194 0 1 GGAF aggregator Cc1c(C(N)=O)sc2ncnc(Nc3cccnc3OC[C@H]3CC3(F)F)c12 118819450 APRGAAGUEPOUHQ-SECBINFHSA-N 391.403 3.271 0 1 GGAF COc1cc(S(=O)(=O)c2ccc(F)c(F)c2)cc2c3c(oc12)CCNC3 147593590 PBXCSOJCKYQNQX-UHFFFAOYSA-N 379.384 3.198 0 1 GGAF O=C(Nc1ccn(S(=O)(=O)Cc2ccccc2Cl)c1)c1ccccn1 199116504 MEGDFHWVDNNSJG-UHFFFAOYSA-N 375.837 3.167 0 1 GGAF Cc1noc(C)c1-c1ccc2c(c1)[C@](c1ccccc1)(N1CCOCC1)C(=O)N2 219258868 MGWPWQSOMGBAMM-QHCPKHFHSA-N 389.455 3.486 0 1 GGAF Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)ccc12 299839662 SWXYKOCCFQXDLP-UHFFFAOYSA-N 392.820 3.265 0 1 GGAF 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587444484 ZHYDVUGXPCLTKZ-OPAMFIHVSA-N 384.428 3.392 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(NS(C)(=O)=O)c1)CC2=O 587488365 QHVWPMSFWBMXFH-GOSISDBHSA-N 375.446 3.423 0 1 GGAF COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587587817 OMBHIKMTDBRNHN-FXAWDEMLSA-N 377.352 3.277 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)n[nH]c2C(=O)O)N1 587704188 IKPFHXSBPUSRQD-DYEAUMGKSA-N 388.624 3.287 0 1 GGAF COC(=O)Cn1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587758360 WTHZXICEJLSVCZ-BMLIUANNSA-N 381.245 3.186 0 1 GGAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)N[C@H]4CCc5ncccc54)c(=O)n1c23 1857563739 HPCUWKZSSJYKGG-DIFFPNOSSA-N 393.418 3.166 0 1 GGAF Cn1cc(-c2ccc(C(F)F)cc2)c2ccc(C(=O)NS(C)(=O)=O)cc21 1857612793 PEQRJRDZASEMBF-UHFFFAOYSA-N 378.400 3.472 0 1 GGAF COc1ccc(CC2(CCCCCC[C@@H](F)CF)C(=O)NC(=O)NC2=O)cc1 1911571810 ZJVORNZEDYXDGJ-OAHLLOKOSA-N 396.434 3.238 0 1 GGAF N#CN=[S@](=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cccnc1 1911573669 BTNVNDWLDGUCMY-MHZLTWQESA-N 381.461 3.104 0 1 GGAF Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CCCCCC3)c(C)o2)cc1 5058402 HCRQENUCESZUGG-UHFFFAOYSA-N 390.505 3.276 0 3 GGAF COCCCNC(=O)CCCN1C(=O)c2cccnc2Sc2ccccc21 6917463 QHJOJYWIZMYPBS-UHFFFAOYSA-N 385.489 3.126 0 3 GGAF O=C(Nc1ccnn1C1CCN(C(=O)c2cccnc2)CC1)c1cccc(F)c1 15063196 AWVCFMVTZARSFZ-UHFFFAOYSA-N 393.422 3.147 0 3 GGAF CC(C)(C)NC(=O)C1=CNN2C1=N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F 104035764 UHUAZYWGILTPFY-KBPBESRZSA-N 384.377 3.219 0 3 GGAF COc1ccccc1CCn1c(=O)c(-c2ccc(F)cc2)nc2cncnc21 4238406 QTTZWGUPWUTEGQ-UHFFFAOYSA-N 376.391 3.244 0 1 GGAF Cc1ccc(S(=O)(=O)NC[C@H](CCCCCC(=O)O)c2cccnc2)cc1 13730236 YWVJRHPVHQTZLE-SFHVURJKSA-N 390.505 3.487 0 1 GGAF CC(=O)Nc1ccccc1C[S@@](=O)c1nc2c(n1-c1ccccn1)CCC2 13746316 QXQYLRXBVGEHIL-MHZLTWQESA-N 380.473 3.022 0 1 GGAF COc1ccc(-c2cc3c(OC)cc(OC)cc3n(CCN(C)C)c2=O)cc1 26573478 GGCKHBAUSWWNEQ-UHFFFAOYSA-N 382.460 3.256 0 1 GGAF COc1ccc2[nH]cc(CCNC(=O)c3ccc(OCCN(C)C)cc3)c2c1 29040649 NLKOSNYWNPQYBF-UHFFFAOYSA-N 381.476 3.089 0 1 GGAF COc1cc2c3c4c1O[C@]1(C)c5c(cc(O)c(c5-4)O[C@@]3(C)N(C)CC2)CCN1C 33676350 VPQDNNIKXNLIMG-DHIUTWEWSA-N 394.471 3.174 0 1 GGAF biogenic CC(C)CCO[C@@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272682 QRPDFYUCGZWKPH-QGZVFWFLSA-N 380.876 3.481 0 1 GGAF CC[C@H](C)O[C@@H]1C[C@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40379197 WSZQVSPKYXOCEM-HEHGZKQESA-N 380.876 3.479 0 1 GGAF O=C(O)c1cn(CCO)c2ccc(Nc3cccc(Cl)c3F)cc2c1=O 40976316 SCTFTBOETKOARE-UHFFFAOYSA-N 376.771 3.228 0 1 GGAF O=C(Nc1ccccc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccccc3)CO[C@H]12 45385194 KDDHNJSIHIMRGH-XMTFNYHQSA-N 384.388 3.019 0 1 GGAF in-vivo C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CCOCC(N)=N1 72318038 INHMXSSOQVTRFA-SFHVURJKSA-N 376.819 3.119 0 1 GGAF COc1cc2nc(N3CCN(C)CC3)nc(NCc3ccccc3)c2cc1OC 82125660 NEVTWLQDNNTZLA-UHFFFAOYSA-N 393.491 3.011 0 1 GGAF O=c1[nH]c([C@@H]2CNC[C@H]2c2ccc(Cl)cc2)nc2ccc(-c3cn[nH]c3)cc12 95592988 ZJEWXEAMZOTZGE-ZWKOTPCHSA-N 391.862 3.437 0 1 GGAF CCc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)CO[C@@H](F)[C@]3(O)CC 96934891 DZFOWRMKKUJMON-YADHBBJMSA-N 380.419 3.411 0 1 GGAF O=C(NCc1ccccc1)c1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1 136473724 XWJOKKXDMHSILW-UHFFFAOYSA-N 384.443 3.409 0 1 GGAF C[C@@H](Oc1nccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c12)C(F)(F)F 146839874 VZXASDIAEPBUEJ-LLVKDONJSA-N 393.369 3.186 0 1 GGAF CCn1cc(Br)c(Cc2nc3cc(Br)ncc3[nH]2)n1 587002097 WRUKIGCPHKQPMU-UHFFFAOYSA-N 385.063 3.290 0 1 GGAF CC1=C(c2ccc3nc(CCC(=O)c4ccc(F)cc4)[nH]c3c2)NNC(=O)C1 587164220 YCWUZIIYQRHMEE-UHFFFAOYSA-N 378.407 3.273 0 1 GGAF Fc1ccc(-n2nnc(-c3nc4c(S)nc(S)nc4[nH]3)c2C2CC2)cc1 587168521 IILMESHOHPRBQY-UHFFFAOYSA-N 385.453 3.195 0 1 GGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 587232467 XKUVOVCSGFTTHF-STQMWFEESA-N 385.386 3.498 0 1 GGAF CCOC(=O)c1c(-c2ccn(C)n2)[nH]c2c1c(Br)cc1n[nH]cc12 587623469 SXDKBBDZUBOWKZ-UHFFFAOYSA-N 388.225 3.384 0 1 GGAF Cc1cc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)no1 587659891 INWPRWBHOTZWSB-UHFFFAOYSA-N 379.347 3.218 0 1 GGAF COC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 587770939 KZDGXAKWKFAXCB-ABKXIKBNSA-N 379.229 3.393 0 1 GGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C(N)=O)nn1 587860568 XCKUTPLGOGCXJS-UHFFFAOYSA-N 378.219 3.134 0 1 GGAF COc1ccc2c(c1)C[C@H](c1nc3ccc(S(=O)(=O)N(C)C)cc3[nH]1)CC2 587947614 YNNYXMLQPKYCEG-CQSZACIVSA-N 385.489 3.094 0 1 GGAF COc1cc([C@@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(F)cc1O 962730339 NIKVGSVKGOGCRH-KDOFPFPSSA-N 383.341 3.449 0 1 GGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@]2(C[C@H](C3CC3)N(Cc3ccccc3)C2)N1 962916344 CZDJXJQSWIFMQB-MIZPHKNDSA-N 380.463 3.304 0 1 GGAF O=C1c2cc(O)ccc2O[C@H](c2ccccc2)[C@]12NCCc1nc3ccccn3c12 962988386 YFZJQUCRQGOTTG-DNQXCXABSA-N 397.434 3.398 0 1 GGAF Oc1cc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)nc(O)n1 963830507 BHDIXMCMZSNRLO-OAQYLSRUSA-N 388.427 3.183 0 1 GGAF C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)c2cccc(F)c2)C1=O 1857556136 GQOQUTMJSMDRJB-LJQANCHMSA-N 392.333 3.077 0 1 GGAF CCCCN=c1[nH]c(=N)[nH]c2cccc(C(=O)N[C@@H](C)c3cccc(OC)c3)c12 1857762523 CSKJMEVDUZQOFB-AWEZNQCLSA-N 393.491 3.176 0 1 GGAF NCCCn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2cccnc21 1911579030 FKJLDOBDOFCORP-UHFFFAOYSA-N 396.450 3.106 0 1 GGAF O=C([C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl)N1CCOCC1 767185 VTDFKIIJYPCYGU-HKUYNNGSSA-N 388.826 3.430 0 1 GGAF CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1cc(OC)ccc1OC 4437327 FBQKXKGDCFEGLT-VBKZILBWSA-N 382.460 3.316 0 3 GGAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(O)n(-c2cccc(Cl)c2)n1 101564365 IUMISDHODWVJIK-INIZCTEOSA-N 399.834 3.486 0 1 GGAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2c1cccc2N1CCOCC1 28964836 ASHXOMOCDINDTE-GOSISDBHSA-N 377.448 3.209 0 1 GGAF CCCc1c(COc2ccc(Cc3nnnn3C)cc2)ccc(C(C)=O)c1O 28003004 AJOUURZZAMZEJI-UHFFFAOYSA-N 380.448 3.241 0 1 GGAF Cc1cnn(C)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)oc1Cl 116445567 UNQJIIVQNBKFRB-AWEZNQCLSA-N 390.846 3.081 0 1 GGAF COc1c(C(=O)O)c(O)c(NS(=O)(=O)c2ccc(Cl)cc2)c2occc12 64521302 JIJRXSGPUHNUQC-UHFFFAOYSA-N 397.792 3.299 0 1 GGAF CCc1ccc([C@H]2C[C@@H]3CC[C@@H](N3)[C@@H]2C(=O)OC)cc1I 27298873 BSMPOYNWUIFFDN-SJXGUFTOSA-N 399.272 3.251 0 1 GGAF C[C@]12CC[C@H](O)[C@@](CO)(C(=O)O)[C@H]1CCc1cc3[nH]c4ccccc4c3cc12 2356508009 OLMKVWKEEMDZBW-RLBLXZPPSA-N 379.456 3.359 0 1 GGAF OC(c1cccnc1)(c1cccnc1)[C@H](c1ccccc1)N1CCCOCC1 35931436 GHXYRZWZQQDKIT-QFIPXVFZSA-N 375.472 3.176 0 1 GGAF COC(=O)C1=C2C=COC(C)=C2[C@@](C)(O)C1=CC(=O)[C@@H](C)CCCCCCO 14696191 BJRVUWKADRHSIV-FPTDNZKUSA-N 390.476 3.113 0 1 GGAF biogenic O=c1[nH]ccc2nc(N[C@H]3CCNC3)nc(Nc3cc(Cl)cc(Cl)c3)c12 45168519 VSDJPSOMFBJWMR-NSHDSACASA-N 391.262 3.142 0 1 GGAF O=C(NN1C(=O)CCS[C@@H]1c1ccc(Br)cc1)c1ccncc1 84596773 RIZFUYUNRNEJBL-MRXNPFEDSA-N 392.278 3.153 0 1 GGAF CCO[C@@H](Cc1ccc(OCCN2CC=C(c3ccccn3)CC2)cc1)C(=O)O 40950808 FVVMWXJZHGRMHE-QFIPXVFZSA-N 396.487 3.282 0 1 GGAF COc1cc(OC)c([C@H]2CC(=O)c3cc(OC)c(OC)c(OC)c32)c(OC)c1 40414168 SDTXSAFDNHXCCL-ZDUSSCGKSA-N 388.416 3.457 0 1 GGAF COc1ccccc1SC[C@@H](O)CN[C@H]1COc2ccccc2SC1 40891864 IMHOUWDBJOYBHV-GJZGRUSLSA-N 377.531 3.291 0 1 GGAF CCCCC(=O)N1CC[C@@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1 138106663 MNXDSLVDLSSUGR-PGRDOPGGSA-N 390.572 3.301 0 1 GGAF Cc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2)oc1C 82162932 MIURQQNQSJQNPV-INIZCTEOSA-N 377.448 3.117 0 1 GGAF CN1CCC[C@@H](Cc2nc3c(oc4ccc(Br)cc43)c(=O)[nH]2)C1 84724174 HNXYPVWPNANYAO-JTQLQIEISA-N 376.254 3.316 0 1 GGAF CN(c1ccc(C#N)c(Br)c1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 143068137 XEKZNZFRNCNSEK-CQSZACIVSA-N 397.280 3.307 0 1 GGAF O=C(O)c1ccc2c(c1)nc(NC1CC1)c1nc(NCc3ccncc3)ncc12 140652651 AEJHZHHERMXNAK-UHFFFAOYSA-N 386.415 3.458 0 1 GGAF CC(C)(C)OC(=O)N1CCC(Cn2cc(C(=O)O)c(=O)c3ccccc32)CC1 96906828 ZXSABBWRJOYRHU-UHFFFAOYSA-N 386.448 3.347 0 1 GGAF NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 96258393 AAHQETWDRQOVIL-UHFFFAOYSA-N 395.440 3.484 0 1 GGAF CC(C)(C)n1nnnc1[C@@H](C1CC1)N1CCN(C/C=C/c2ccccc2)CC1 95570627 CWJYKCFZRKJZOM-JRMCHAMMSA-N 380.540 3.210 0 3 GGAF C[C@@H](O)CNC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 141402517 BEVIABRWXULHKA-GFCCVEGCSA-N 387.823 3.080 0 1 GGAF O=C(Oc1cccs1)c1cnn2c1[nH][n+](=O)c1ccc(C(F)(F)F)cc12 377815847 IYIMAYNNPCJOCU-UHFFFAOYSA-O 381.315 3.030 0 1 GGAF C[C@@H](O)Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 586893100 UBIBTPCSHQWECL-SNVBAGLBSA-N 399.394 3.306 0 1 GGAF CCOc1ccc(-c2nn(C(=O)COC)c(=O)c3ccccc23)cc1OCC 587671293 MXXOQLMVNYTHPJ-UHFFFAOYSA-N 382.416 3.148 0 1 GGAF NS(=O)(=O)c1cccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587112315 LNKPVWVUMPGUNG-UHFFFAOYSA-N 392.362 3.444 0 1 GGAF Cc1ccc(CCc2nc3cc(I)cnc3[nH]2)cc1N 587250957 UPJVWWTXXHNXLS-UHFFFAOYSA-N 378.217 3.238 0 1 GGAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1NS(C)(=O)=O)CC2=O 587483951 GWDSQCNTSINYBK-SFHVURJKSA-N 375.446 3.423 0 1 GGAF C[C@@H](Sc1ncccn1)c1nc2cc(I)cnc2[nH]1 586962163 OWGZVAHXFQGWRB-SSDOTTSWSA-N 383.218 3.206 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3nnnn3C)c(Cl)c1)O2 587374020 FRAUGEVLLFQVGL-QGZVFWFLSA-N 399.838 3.040 0 1 GGAF COc1ccc2c(C)c(CCc3nc4cccc(C(N)=O)c4[nH]3)c(=O)oc2c1C 586918170 JOJWZNTURYLFSP-UHFFFAOYSA-N 391.427 3.179 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](O)c3ccccc3Cl)[nH]c2c1 587059072 MAHRIQGGNLOZTI-QGZVFWFLSA-N 393.896 3.329 0 1 GGAF CCN(CC)C(=O)COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587431051 YFMWRJAIIYHHQR-WZONZLPQSA-N 395.455 3.431 0 1 GGAF COc1cc(Cl)cc(C=O)c1OCc1nc2cnc(C(F)(F)F)[nH]c-2n1 587065245 MXVIRBQBJMMZCC-UHFFFAOYSA-N 386.717 3.377 0 1 GGAF COC(=O)[C@@H]1SC[C@H](C)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587854051 BENZJZHEFCHULX-CHHSTLLZSA-N 388.302 3.242 0 1 GGAF CCOC(=O)[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797993 NIZNRAPRTQJDKJ-WIVTXXNASA-N 386.261 3.106 0 1 GGAF Cc1nn(Cc2ccccc2)c(C)c1[C@H]1NCCc2ccc(C(=O)N(C)C)cc21 962925538 NRGBQGLHEKIVGY-QHCPKHFHSA-N 388.515 3.485 0 1 GGAF CNC(=O)c1cccc(Nc2ncnc(N[C@H](C)CCc3ccccc3)n2)c1 1772574766 UEDLMLQFOLKQKR-OAHLLOKOSA-N 376.464 3.408 0 1 GGAF CC[C@@]1(O)CC[C@@]2(CO1)[C@@H]1CCC3=C4C(=C(C(=O)OC)C[C@@]42CN(C)C1)CC3 13431800 INNZHGHJFINUNM-LSUGYDDCSA-N 387.520 3.187 0 1 GGAF N[C@H](Cc1cc(CP(=O)(O)O)cc(-c2ccc3ccccc3c2)c1)C(=O)O 13741486 GOPXMKDIVJBBQF-LJQANCHMSA-N 385.356 3.139 0 1 GGAF Cc1ccc(S(=O)(=O)N2C[C@H](c3ccc(Cl)cc3Cl)[C@@H](N)C2)cc1 14958659 XFWVFJXNYYSICX-WBVHZDCISA-N 385.316 3.417 0 1 GGAF CN1CCN(c2nc3c(Cl)cccc3c(=O)n2-c2ccc(Cl)cc2)CC1 1857546477 BSMOCCLSYYZQDX-UHFFFAOYSA-N 389.286 3.444 0 1 GGAF CCOC(=O)c1ccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)cc1 5444401 HLVXKDABXQWXBE-UHFFFAOYSA-N 392.411 3.082 0 1 GGAF biogenic COC(=O)C[C@@H](CNC(=O)OCc1ccccc1)OCc1ccc(OC)cc1 6484314 DQPUSDNUQDLUNG-IBGZPJMESA-N 387.432 3.070 0 1 GGAF CC1=Nc2nc(NS(=O)(=O)c3ccc(C)cc3)nn2[C@@H](c2ccccc2)C1 13131114 KJLUUVUDOQPGGD-QGZVFWFLSA-N 381.461 3.473 0 1 GGAF COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1 13588341 LBQJSFYZGDEZEE-UHFFFAOYSA-N 397.378 3.365 0 1 GGAF CC(C)Oc1cccnc1-n1ccnc1[S@](=O)Cc1ccccc1N(C)C 13746091 NUPWBSFIUAOXLK-MHZLTWQESA-N 384.505 3.428 0 1 GGAF COc1ccc(CC[C@H](C)NC[C@H](O)c2ccc(C)c([S@](C)=O)c2)cc1 39316239 QDPVFSGOTRXMLH-SKNUGPPASA-N 375.534 3.385 0 1 GGAF COc1ccc2nc(N3CCNCC3)nc(NCCCc3ccccc3)c2c1 45229372 UYRZWNDYEWZIQB-UHFFFAOYSA-N 377.492 3.093 0 1 GGAF O=C([C@@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O)N1CCCC1 45335019 OMUNXMLDEXCDQI-SFHVURJKSA-N 386.835 3.071 0 1 GGAF COc1ccc(C2CCN(Cc3cc(C(=O)O)c(=O)n4ccccc34)CC2)cc1 66080315 IMFXINUBYUKWMG-UHFFFAOYSA-N 392.455 3.386 0 1 GGAF CC(C)(CO)CCCNc1cncc(Oc2cccc(N3CCOCC3)c2)n1 82068454 KOULTSSDCXYFDU-UHFFFAOYSA-N 386.496 3.316 0 1 GGAF OC12C[C@H]3C[C@H](C1)CC(Nc1nc(N[C@H]4CC[C@H](O)CC4)ncc1Cl)(C3)C2 101143608 CPNVJHSWNCPSIP-USYNBTAQSA-N 392.931 3.341 0 1 GGAF OCCCOc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 114337009 LWKUYNWGILHOCX-FQEVSTJZSA-N 380.492 3.401 0 1 GGAF Cc1cc(C(=O)NCCCCO)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 144807303 RSSKHDQQUJMHDA-IBGZPJMESA-N 379.378 3.276 0 1 GGAF O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CC[C@@]2(C1)CC2(F)F 146419755 COPSTCBNWLVZAK-KRWDZBQOSA-N 399.388 3.197 0 1 GGAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)OCc1cn(-c2ccc(F)cc2)nn1 299864457 RHBXPQLTTZJEBX-ZPUQHVIOSA-N 393.374 3.448 0 1 GGAF CCCCO[C@@H]1C[C@@H](C(=O)N[C@H]2CCc3ccccc32)N(C(=O)c2ccco2)C1 299887108 YHRSCQHSHLSNRD-HOJAQTOUSA-N 396.487 3.483 0 1 GGAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(O)ncnc3[nH]1)N2 587030964 KIUHBCUZUBYKMN-DHFUWRPHSA-N 388.478 3.185 0 1 GGAF Nc1c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cnc2c(F)cccc12 587177008 ZDZLORYHTVRWTP-UHFFFAOYSA-N 377.423 3.332 0 1 GGAF CCOC(=O)C(=O)C[C@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1 587384902 KRXUBWXUBSWYBI-NRFANRHFSA-N 385.391 3.099 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(=O)O)nc2)N1 587767480 BBIYAWNASJFQNX-VVVCHXIZSA-N 379.229 3.479 0 1 GGAF CCOC(=O)C(=O)C[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792731 CPRRMQCJLIBDCY-BTDLBPIBSA-N 386.261 3.250 0 1 GGAF Cc1cccnc1C[C@]1(C)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962622141 ACFWZURJTQEEDQ-QAPCUYQASA-N 380.366 3.345 0 1 GGAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@]2(CCOc3c(F)cccc32)N1 962640097 OCOVRCVWBHNGHV-QAPCUYQASA-N 397.324 3.349 0 1 GGAF NC(=O)COc1ccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962693813 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O=S(=O)(NCc1cccnc1)c1ccc(-c2cc(C(F)(F)F)no2)s1 20580806 NFWNMNHXYJRBBI-UHFFFAOYSA-N 389.380 3.295 0 1 GGAF Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c2ccccc2)cc1 100758881 DTDNYBLEFKLANA-DBXWQHBBSA-N 398.528 3.495 0 1 GGAF C[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 28712937 LILMACHWEDUPFV-JLGINSKQSA-N 392.499 3.239 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CC[C@](C)([C@@H]2CCC(C)=C[C@@H]2O)O[C@@]1(C)COC(C)=O 2356437568 XMZLIYKXYUUFPG-NJKFVAIMSA-N 394.508 3.473 0 1 GGAF COCCn1ccc2c(OCC(=O)NC[C@H]3CCCN4CCCC[C@H]34)cccc21 2356500765 BJDZGNCXPZMCSH-UYAOXDASSA-N 399.535 3.047 0 1 GGAF C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)c1ccc(NS(C)(=O)=O)c(F)c1 73221889 DAXQIKPAMNQFOX-ACJLOTCBSA-N 390.480 3.495 0 1 GGAF Cc1ccc2c(ccn2-c2ccnc(NS(=O)(=O)c3ccc(N)cc3)n2)c1 1911575941 SOCDLMAUQWDWIP-UHFFFAOYSA-N 379.445 3.112 0 1 GGAF COCCn1cccc1C(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 84614601 IEBOKEPLTDDCRY-UHFFFAOYSA-N 398.484 3.191 0 1 GGAF CCOP(=O)(OCC)[C@@H](OC(C)=O)c1cc2ccc(C)cc2n2nnnc12 49048317 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Cn1ncnc1[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337566 BIGZWRFYBHPCIB-GHTZIAJQSA-N 379.391 3.324 0 1 GGAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(Br)c(C)c2[nH]1 586945074 VDAJLSIJDGVCCZ-UHFFFAOYSA-N 398.282 3.251 0 1 GGAF CCOC(=O)[C@@H]1CCc2ccccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587440333 GCYJHMYQFDNSLD-YZZKKUAISA-N 378.424 3.464 0 1 GGAF COc1ccc([C@@]2(Cc3ccncn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587435390 FQNYYVVCXVASDY-AUSIDOKSSA-N 388.423 3.379 0 1 GGAF N[C@H](Cc1nc2cc3c(cc2[nH]1)OCO3)c1ccc(Br)cc1F 587144901 QUBHBNLBIPOBCP-LLVKDONJSA-N 378.201 3.436 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cc(Br)c(O)cc1O)[C@@H](C2)C3=O 587412593 JCOYCSMQTNPJOC-DYZYQPBXSA-N 377.190 3.358 0 1 GGAF COc1ccc(-c2cccc(-c3nc4c(O)nc(O)nc4[nH]3)c2C)c(OC)c1 587930947 XUJJDFRWOGCRIU-UHFFFAOYSA-N 378.388 3.424 0 1 GGAF COc1ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2n1 586938172 OGABMXYTPGSZSA-OAHLLOKOSA-N 394.884 3.296 0 1 GGAF COc1ncc(F)cc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2[nH]1 587175925 KBDKMSURGAWAQJ-UHFFFAOYSA-N 375.303 3.066 0 1 GGAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587204646 QTGBLSZHMOBJJM-GFCCVEGCSA-N 390.793 3.314 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@H]1COCCN1C(=O)OC(C)(C)C)O2 587395528 NTKOWCRPTDSIJS-LHSJRXKWSA-N 390.480 3.327 0 1 GGAF CCc1ccc([C@@]2(CN3CCOCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441089 DEPZQXMEDDPAMY-HYBUGGRVSA-N 393.483 3.233 0 1 GGAF CCN(c1ccc(-c2csc(-c3cnn4cccnc34)n2)cc1)S(C)(=O)=O 587922841 GVZMLKUWMQHPKR-UHFFFAOYSA-N 399.501 3.306 0 1 GGAF COC(=O)[C@@]1(/C=C(\C)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346968 CXUJVMGAXJLCCN-JFSJNAAWSA-N 386.375 3.352 0 1 GGAF COc1cc([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)c(OC)c(OC)n1 962573490 SCZSUEKXGBIZAL-KPZWWZAWSA-N 388.464 3.090 0 1 GGAF CCCc1cc(C(=O)N2CC[C@@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)n[nH]1 1772618772 YFFSYLDTZXRIBZ-OAHLLOKOSA-N 378.480 3.096 0 1 GGAF O=C(CS(=O)(=O)CCCCc1ccccc1)c1ncc(-c2ccccn2)o1 14980032 WAFLPSZQYRJHGG-UHFFFAOYSA-N 384.457 3.357 0 1 GGAF COc1ccccc1N1CCN(CCCCOc2ccc3ccnn3c2)CC1 150174411 VIESVSSRMWPJQT-UHFFFAOYSA-N 380.492 3.324 0 1 GGAF NC(=O)c1ccc([C@H](OCc2conc2-c2ccc(F)cn2)C(F)(F)F)nc1 169707498 GSNVRZDAVSOMIL-HNNXBMFYSA-N 396.300 3.190 0 1 GGAF N#Cc1ccc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)cc1F 168069188 VSYJYCNBDBKFNN-UHFFFAOYSA-N 376.391 3.129 0 1 GGAF CCOc1ccc2cc(-c3nn(CC4CN(C)C4)c4ncnc(N)c34)ccc2c1 1857603402 CKYNPCZFTLCFLX-UHFFFAOYSA-N 388.475 3.189 0 1 GGAF CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)c2ccco2)C1 4545985 SBVGJYYNDNJKSQ-AEFFLSMTSA-N 388.439 3.135 0 1 GGAF O=C(CN1CCN(Cc2ccccc2Cl)C1=O)N1CCc2ccccc2C1 4931032 NGZZUUDXPCVATM-UHFFFAOYSA-N 383.879 3.163 0 1 GGAF Nc1nccn2c1c(-c1ccc([C@H](O)c3ccccc3)cc1)nc2[C@H]1C[C@@H](O)C1 100619039 GJWQHNJZNBLTFJ-DBXWQHBBSA-N 386.455 3.299 0 1 GGAF O=S(=O)(c1cc(-c2nc3ccccc3s2)cs1)N1CCC[C@@H]1CO 38215224 CVAOFEVINQVDSH-GFCCVEGCSA-N 380.516 3.170 0 1 GGAF O=C1c2ccccc2N2O[C@@]3(N4CCOCC4)CCC[C@@H]3[C@]12c1ccccc1 31851425 BLGLJWCTEAFVSH-ACIOBRDBSA-N 376.456 3.359 0 1 GGAF CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@H](C)N)nn1 70463206 WGSIQZBFMOSLES-RNCFNFMXSA-N 388.365 3.234 0 1 GGAF CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(NC(=S)NCc3ccccc3)C(=O)[C@@H]12 45291744 AMYFASUDBOAVHW-FTIBCMOBSA-N 397.544 3.179 0 1 GGAF COc1cc(-n2nncc2-c2ccc3c(c2O)OC(C)(C)O3)cc(OC)c1OC 82150715 RLQASDRIZUORFP-UHFFFAOYSA-N 399.403 3.173 0 1 GGAF COc1ccccc1CNc1nc(N2CCC(N3CCCC3)CC2)ncc1C 82203813 WOKPAHWSEHOFHN-UHFFFAOYSA-N 381.524 3.470 0 1 GGAF C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccsc2c(=O)n1-c1ccccc1 43195552 OMURHYASVBANRY-NSHDSACASA-N 389.444 3.287 0 1 GGAF CCC(=O)N1[C@H](CN(CC)C(C)=O)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CO 95895667 MMLZWAGEOSIZAZ-AOHZBQACSA-N 394.515 3.287 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(NS(C)(=O)=O)cc1)CC2=O 587483875 GIUAMKLBFWFKSU-GOSISDBHSA-N 375.446 3.423 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ncc(Br)cc1OC)[C@@H](C2)C3=O 587416541 CNFMONHCBFSMNB-APPDUMDISA-N 376.206 3.350 0 1 GGAF O=C1CCc2cc3nc(C(F)(Br)Br)[nH]c3cc2N1 587087877 XSXBMVCDFHBYIS-UHFFFAOYSA-N 377.011 3.317 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1C(=O)COc2ccccc21 587871631 ANIMYEYJAKGWHT-UHFFFAOYSA-N 395.390 3.154 0 1 GGAF O=C1COc2cc3[nH]c([C@@H](NC(=O)c4ccccc4)c4ccccc4)nc3cc2N1 587224280 RDPZNECZAVWKSU-NRFANRHFSA-N 398.422 3.413 0 1 GGAF Nc1ccnc2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc12 587170246 LYSRGAKEOPLJMI-UHFFFAOYSA-N 389.437 3.209 0 1 GGAF CCc1ccc(C(=O)CCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 587957362 YKUXFZGANZYVTB-UHFFFAOYSA-N 385.489 3.191 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3nn[nH]n3)cc2)N1 587796567 PNZKPQNALNZNFL-XXFAHNHDSA-N 388.244 3.392 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)[nH]c(=N)n1-c1ccccc1)[C@@H](C2)C3=O 587422355 PGNWPESJYIDLGW-SCLBCKFNSA-N 381.819 3.436 0 1 GGAF CNc1ncc([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)s1 962626363 BIUFPCIKRZQTHY-VQTJNVASSA-N 382.489 3.095 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@@H]([C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)NCC2 962928495 YRUYZQBGFKEODR-BHIYHBOVSA-N 387.524 3.269 0 1 GGAF CC(=O)Oc1ccccc1[C@@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962971043 SHNDHXVZROAPNU-IFXJQAMLSA-N 395.789 3.406 0 1 GGAF CC(=O)N1CCc2c(c(Nc3cccc(-c4ccnn4C)c3)nn2CC2CC2)C1 1772613903 HLTFLEHNLNKZIT-UHFFFAOYSA-N 390.491 3.342 0 1 GGAF CC(=O)c1ccc(OCC(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)cc1 12443015 OKSBWMQNSLJDPU-LJQANCHMSA-N 384.451 3.188 0 3 GGAF C[C@]1(N)CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1 205257458 STVHGQTYZJFQHJ-QFIPXVFZSA-N 385.475 3.400 0 1 GGAF O=C(N[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1F)c1ccc(=O)[nH]c1 205243878 IJTSMWHYNKDXNG-INIZCTEOSA-N 391.324 3.447 0 1 GGAF Cc1ccccc1O[C@H]1C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc2c(c1)OCO2 816225 NDGWYKONERCTGU-MAODMQOUSA-N 381.428 3.234 0 1 GGAF COc1ccc(NC(=O)N2CC3(CCN(C(=O)c4c(C)noc4C)CC3)C2)cc1 3956389 ZZLDYKGHYJAXRN-UHFFFAOYSA-N 398.463 3.070 0 1 GGAF COCCN(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccs1 4240622 PLKIKZQGQPAMTA-KRWDZBQOSA-N 376.478 3.230 0 3 GGAF CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1cc(OC)ccc1OC 4437324 FBQKXKGDCFEGLT-JLTOFOAXSA-N 382.460 3.316 0 3 GGAF CCN(CC)CCn1c(-c2ccccc2)nc2c(NCCOC)nc(C)nc21 7991866 WPPPNKLMDGXEGG-UHFFFAOYSA-N 382.512 3.202 0 1 GGAF COc1ccc(C(=O)N2C[C@@H](F)[C@H](OCc3nc4ccc(C)cc4[nH]3)C2)cc1 2356305723 ABAXYSOZBFVUMC-VQIMIIECSA-N 383.423 3.259 0 1 GGAF Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1 118535082 JBMNBUBDMUJKLS-UHFFFAOYSA-N 375.432 3.005 0 1 GGAF O=C(O)CC/C=C\CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1 28475599 YMBBGNUCVZPQJI-IHHUKQRFSA-N 388.504 3.095 0 1 GGAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(-c3ccc(Cl)cc3)sc12 64559434 ADPBZCHDEKXPRS-LBPRGKRZSA-N 387.896 3.275 0 1 GGAF CCOC(=O)CCC(=O)N(C)CCCNc1ccnc2cc(Cl)ccc12 35190761 WSHYVUUWPHQEMG-UHFFFAOYSA-N 377.872 3.492 0 1 GGAF CCOc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1Cl 73199920 GGRPRBDHBHPSMT-UHFFFAOYSA-N 390.827 3.407 0 1 GGAF CCCCOCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O 16041057 HCNOLMHCFKASEI-LJQANCHMSA-N 397.519 3.205 0 1 GGAF biogenic C[C@@H]1CN(C)C(=O)c2cccc(N(C)C)c2O[C@H]1CN(C)C(=O)OC(C)(C)C 95661744 NGQOZRJOWAPEHV-PBHICJAKSA-N 391.512 3.089 0 1 GGAF CN(Cc1cn(CCF)nn1)Cc1ccc2c(Cl)cc(Cl)c(O)c2n1 473153066 YBCWLWIXFZAZAU-UHFFFAOYSA-N 384.242 3.440 0 1 GGAF COc1ccc(CC(=O)Nc2ccc(O)c(-c3cc(C(=O)O)ccn3)c2)cc1 653717852 OCGISZPIWOLXLM-UHFFFAOYSA-N 378.384 3.342 0 1 GGAF COC(=O)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1OC 587154912 GFKXVWMZIHARTO-UHFFFAOYSA-N 380.173 3.322 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCO)(c2ccc(O)cc2)N1 587827109 NQWSJNWAMWHILF-ADLMAVQZSA-N 380.257 3.454 0 1 GGAF COC(=O)c1cccc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c12 586974607 WCVOPDDDMIJADK-QGZVFWFLSA-N 383.473 3.460 0 1 GGAF COC(=O)c1cc2[nH]c(-c3cc(Br)cnc3F)nc2cc1OC 587177909 GFYNPFMUPIUPDD-UHFFFAOYSA-N 380.173 3.322 0 1 GGAF CS(=O)(=O)c1cccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 586926799 QHVXCKQVKVUFKT-UHFFFAOYSA-N 378.457 3.465 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2c1 586879735 MZZKJHIOXFKNBN-XFXZXTDPSA-N 399.472 3.462 0 1 GGAF CNC(=O)Oc1cccc2c1OC(C)(C)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431424 GEBRRHKMHFPTIY-PEBXRYMYSA-N 395.411 3.227 0 1 GGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)cc1 586948332 NNDNUFRQBCAFGE-UHFFFAOYSA-N 377.397 3.217 0 1 GGAF CNC(=O)c1cccc(Nc2ncnc(N3CCc4c(Cl)cccc4C3)n2)c1 1772643986 KFOVJLZMGHTEHG-UHFFFAOYSA-N 394.866 3.191 0 1 GGAF COc1cccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cn(C)c12 13447794 NVHOOKQWWPYMRJ-UHFFFAOYSA-N 385.423 3.246 0 1 GGAF CC(=O)O[C@@]1(C)C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@@H](O)C1)O2 13455964 PYWYXDQVIHVOOS-DMQOBPETSA-N 394.508 3.140 0 1 GGAF biogenic,in-vitro COc1ccccc1N1CCN(CC(=O)[C@@](O)(c2ccccc2)C2CCC2)CC1 13825769 HQMBZMLZWAQMNV-XMMPIXPASA-N 394.515 3.074 0 1 GGAF CC(C)(NC(=O)c1ccc(C2CCOCC2)c(OCC2CC2)n1)c1ncco1 207730931 PHPQQHHZZZVYEM-UHFFFAOYSA-N 385.464 3.418 0 1 GGAF Cc1nnc2ccc(C(=O)NC3CN(c4ncc(F)cc4Cl)C3)cc2c1C 1857546992 WPYMONDLNWOMJR-UHFFFAOYSA-N 385.830 3.053 0 1 GGAF Cc1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccc2c(n1)N(C1CC1)[C@@H](C)C(=O)N2C 1857642523 YBUMBAJJSBIYAF-CABCVRRESA-N 390.487 3.315 0 1 GGAF COc1cc(CCC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc(OC)c1OC 1857754266 OJIXNBLJKGAECW-KRWDZBQOSA-N 399.443 3.235 0 1 GGAF COc1ccc(N(C)C(=O)c2c(O)c3cc(SC)ccc3n(C)c2=O)cc1 605932 QYYXJJJTEKDMDW-UHFFFAOYSA-N 384.457 3.251 0 1 GGAF Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)o1 1378504 SMINSNNLXJXGEE-KRWDZBQOSA-N 388.493 3.234 0 3 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCN(CC)CC 4152502 SQUASKQHWHZGIM-CTNGQTDRSA-N 399.491 3.228 0 1 GGAF CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4206300 CYGBEFLDXZSMEE-ZOBUZTSGSA-N 378.881 3.380 0 1 GGAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4216302 BFVXDSIVYSWWMQ-YTQUADARSA-N 391.537 3.499 0 1 GGAF COc1ccccc1CNc1ncncc1-c1cccc(NS(C)(=O)=O)c1 4257407 LTBKIRLSXQRIGY-UHFFFAOYSA-N 384.461 3.136 0 1 GGAF CCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1 6721049 FVHQDQQCMCDZAR-IAGOWNOFSA-N 397.479 3.370 0 1 GGAF NC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccc(Cl)c(Cl)c1 114344075 UALHJBCHHRMERK-AWEZNQCLSA-N 376.247 3.147 0 1 GGAF Nc1ccnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CCO2 101693200 CJEWHTUUJIZSOG-GASCZTMLSA-N 395.459 3.452 0 1 GGAF O=C(O)CCN1CCN(CCO[C@H](c2ccccc2)c2ccc(F)cc2)CC1 29311008 YHKKVXZGTGCXTP-JOCHJYFZSA-N 386.467 3.024 0 1 GGAF NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)c(Cl)c1 27734699 ANVRZEGNTAGLOH-UHFFFAOYSA-N 399.255 3.359 0 1 GGAF S=C(NCCc1ccc2c(c1)OCO2)Nc1ccc(Br)cn1 27084648 RMTZVWHPEFNWIZ-UHFFFAOYSA-N 380.267 3.102 0 1 GGAF CC(C)Oc1ccc([C@@](O)(c2cccnc2)c2cccc(C(N)=O)c2)cc1F 72184429 INJAZKWXFZBJSM-JOCHJYFZSA-N 380.419 3.391 0 1 GGAF COc1cc2nc(N3CCCCC3)nc(NC3CCN(C)CC3)c2cc1OC 36382496 MLTCNEHPZTWJKH-UHFFFAOYSA-N 385.512 3.143 0 1 GGAF COC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2C1(C)C 40380342 MEUZGENGYKTAKJ-OALUTQOASA-N 383.492 3.061 0 1 GGAF COc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)[C@@H]2CCCC[C@H]2N3)cc1 82205762 DMNCZDOXZQJADO-IAGOWNOFSA-N 384.480 3.121 0 1 GGAF NS(=O)(=O)Oc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1 84668445 YIMAEQRCVGOOIK-UHFFFAOYSA-N 397.456 3.180 0 1 GGAF CC(=O)OC[C@@H]1C[C@H](O)[C@@]2(C)C(CO)=CCC[C@@H]2[C@@]1(C)CC/C(C)=C/C(=O)O 238749804 FZSGZQGDNASVKA-AZIXGJCSSA-N 394.508 3.083 0 1 GGAF C[C@@]12C[C@@H](OC(=O)c3ccccc3)C[C@@H]3C(=O)O[C@H](c4ccoc4)[C@@H](OC1=O)[C@@H]32 238734586 GTVVKWIWARQEOM-JPCOJRLDSA-N 396.395 3.061 0 1 GGAF O=C1CSC[C@@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)N1 587044541 XXYFIZGVLOURCL-QMMMGPOBSA-N 396.188 3.128 0 1 GGAF CCOC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]n1 587797940 TYSLNGPMDPVOCR-GLEZIHRCSA-N 382.233 3.112 0 1 GGAF COc1cc(Br)c([C@H](N)c2nc3cncc(C)c3[nH]2)cc1OC 586976499 VJXKANTYKVOLRD-AWEZNQCLSA-N 377.242 3.094 0 1 GGAF COc1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2n1 586958127 DCBIANJRKVCPCZ-QHCPKHFHSA-N 394.294 3.469 0 1 GGAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(COCc3ncccc32)N1 963192950 PUGMBSOUCGCGGR-YVEFUNNKSA-N 398.768 3.127 0 1 GGAF COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCO2)C(=O)O)cc1 13442224 PMVDOKGCDYKXLD-ICSRJNTNSA-N 383.444 3.043 0 1 GGAF CO[C@@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCOCC1 13529122 CHMBYHSJYWRQPA-IRLDBZIGSA-N 385.504 3.079 0 1 GGAF CN(C)Cc1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651133 JTCIOHMRIDZGSZ-HXUWFJFHSA-N 375.472 3.247 0 1 GGAF N=C(NCCCc1c[nH]cn1)NCC[C@H](c1cccc(F)c1)c1ccccn1 13816109 BFIAWQUMMUHFNN-LJQANCHMSA-N 380.471 3.213 0 1 GGAF CCNCc1ccc(C(=O)Cn2ncc(OCc3ccccc3)cc2=O)c(C)c1 169711437 VCLVCTZCQGKOIR-UHFFFAOYSA-N 391.471 3.123 0 1 GGAF N#C[C@H]1CCOC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)c(Cl)c2)n1 204977224 JIDPOMLEFGYTEC-OTYXRUKQSA-N 380.235 3.134 0 1 GGAF CN(C)CC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 1857566366 DQEDPRSRAAMLAI-UHFFFAOYSA-N 376.254 3.202 0 1 GGAF Cn1c(Oc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc(=O)n(O)c1=O 1857596081 VABQDFYTBPEVCV-UHFFFAOYSA-N 378.306 3.262 0 1 GGAF O=C1CCc2ccc(OP(=O)(O)O)c(c2)Oc2ccc(cc2)C=CCO1 254026044 ZNWODBOIMZBRLP-UHFFFAOYSA-N 376.301 3.453 0 1 GGAF COc1ccc([C@@]23OC[C@@H]4[C@@H](OC[C@@H]42)c2cc(OC)c(OC)cc23)cc1OC 1862588 UHFKQQZCYSTODS-GYISASMLSA-N 384.428 3.312 0 1 GGAF CC[C@H]1[C@H](OC(C)=O)C(C)(C)[C@H](OC(=O)c2cccnc2)[C@@H](C)[C@H]1OC(C)=O 2356401819 PJANGBLGXVISJT-IQRYMVJYSA-N 391.464 3.173 0 1 GGAF COc1ccc([C@H]2OC(=O)C[C@@H]2C(=O)NCc2ccccc2Cl)cc1OC 3030317 CSVRSLYFTBBXNB-IFXJQAMLSA-N 389.835 3.278 0 3 GGAF O=C([C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl)N1CCOCC1 4051914 VTDFKIIJYPCYGU-MJGOQNOKSA-N 388.826 3.430 0 1 GGAF CCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(-c3ccc(OC)cc3)c2n1 4238640 AFHWZVROVCEBMQ-UHFFFAOYSA-N 391.406 3.422 0 1 GGAF O=C(COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)NCc1ccco1 102395975 QWJJMLXDXWXPMA-AGCBMJJTSA-N 396.281 3.173 0 1 GGAF CNc1nc2nc(SCc3cccc(F)c3F)nc(N[C@H](C)CO)c2s1 28820791 YKXOPCFSUSUQIV-MRVPVSSYSA-N 397.476 3.491 0 1 GGAF COc1ccc2c(c1)C[C@@H](c1nc3c(F)cc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2 66100675 OPFIIKDBLOLKPJ-CYBMUJFWSA-N 392.390 3.180 0 1 GGAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](C1(c3ccccn3)CCC1)NCC2 114978627 KMBOPCFWZPWRRC-NRFANRHFSA-N 399.560 3.220 0 1 GGAF CC(=O)O[C@@H]1C[C@H]2[C@]3(CC[C@H]4C(C)(C)CCC[C@]42C)[C@H](O)O[C@@H]2OC(=O)[C@@H]1[C@@H]23 2356642948 ADKDEFXBDGXIFR-NDZORMODSA-N 392.492 3.015 0 1 GGAF CC[C@H](C(=O)N1CCCC1)n1cnc2onc(-c3ccc(Cl)cc3)c2c1=O 21647697 SXPWPXVGAXAEJX-CQSZACIVSA-N 386.839 3.278 0 1 GGAF C[C@@H](CCc1ccc(C(F)(F)F)cc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 27743104 YTPRDMVYEYOTPX-SGTLLEGYSA-N 396.409 3.154 0 1 GGAF CCC(=O)N1CCc2cc(S(=O)(=O)N3CCCC[C@@H]3c3cccnc3)ccc21 34858501 OZDLOWZHYMHSMD-HXUWFJFHSA-N 399.516 3.297 0 1 GGAF CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)c(F)c(Cl)cc21 45260705 YQANXIRXDIEGFS-UHFFFAOYSA-N 387.735 3.130 0 1 GGAF NC1=N[C@](Cc2ccccc2)(c2ccncc2)C(=O)N1CCCc1ccccc1 45321723 HCVZZVIDZFKGSV-XMMPIXPASA-N 384.483 3.309 0 1 GGAF NC(=O)C1(c2ccccc2)CCN(C(=O)NC2C3CC4CC(C3)CC2C4)CC1 45388239 ROBQAKGNZMCFDI-UHFFFAOYSA-N 381.520 3.040 0 1 GGAF COCCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1F 82150574 JZLYIJFUMCCOBF-UHFFFAOYSA-N 386.471 3.285 0 1 GGAF C[C@@H](C(=O)Nc1nnc(CCCCc2nnc(N)s2)s1)c1ccccc1 95572714 AUPUZWNUYOHJCV-LLVKDONJSA-N 388.522 3.279 0 1 GGAF COc1ccccc1CN1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCC3)C[C@@H]21 95893500 DDVCZMQAPAKBKJ-QZNHQXDQSA-N 392.499 3.171 0 1 GGAF CCc1ccc(Oc2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c(O)c1 95577575 USKHQAPKGBXZOL-HNNXBMFYSA-N 388.395 3.347 0 1 GGAF CCCNC(=O)N1[C@H](CNC(=O)CC)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CO 95895374 WDWRNSXHAWCLRQ-URVUXULASA-N 399.535 3.028 0 1 GGAF COc1nc(N2CCC(OC(C)C)CC2)nc(OC)c1NC(=O)CC(C)(C)C 473112780 GGVSCRINGSNJFB-UHFFFAOYSA-N 394.516 3.262 0 1 GGAF COc1nccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 586999501 DDYXFKBUPJQJAQ-UHFFFAOYSA-N 388.177 3.208 0 1 GGAF Nc1ncnc2[nH]c(-c3cccc(N=c4[nH]c(-c5ccccn5)cs4)c3)nc12 587021381 LJBYOKIDMGIRPM-UHFFFAOYSA-N 386.444 3.286 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CC[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]41)[C@@H](C2)C3=O 587443972 NRBNXIDDVWAGCF-IUTNBOSVSA-N 385.460 3.458 0 1 GGAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(F)c(F)cc2[nH]1 587204359 WZMWVUKQQBPZTP-OAHLLOKOSA-N 375.331 3.283 0 1 GGAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(I)cnc3[nH]1)C2 586883221 ACGBQGQLPYYALZ-LPEHRKFASA-N 379.201 3.201 0 1 GGAF CC(=O)C[C@@]1(c2cnn(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587763635 KRIXBCCFHCEPJC-QGHHPUGFSA-N 380.261 3.079 0 1 GGAF COC(=O)c1cc(Cl)c2[nH]c(CNC(=O)[C@@H](C)Oc3ccccc3)nc2c1 587225677 RFNSZKLUPTUTAK-LLVKDONJSA-N 387.823 3.087 0 1 GGAF O=C1Cc2c3c(n(-c4ccc(Oc5ccc(F)cc5)c(F)c4)c2O1)OC(=O)C3 587945373 NBDYVRWQTLSJEU-UHFFFAOYSA-N 383.306 3.471 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N(CCCC(=O)O)C(=O)C1)CC2=O 587480863 WQBVTQJFPUPZSJ-NRFANRHFSA-N 387.432 3.050 0 1 GGAF CCOC(=O)N1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587342535 FIYXDCHWKPJUGM-NQIIRXRSSA-N 385.391 3.491 0 1 GGAF Cc1noc(NS(=O)(=O)c2cccc3c(N4CCCC4=O)cccc23)c1C 13741052 CADOLIAMGUQADS-UHFFFAOYSA-N 385.445 3.372 0 1 GGAF C=CC(=O)N1CC=C[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 18103045 HHDMXLOVTSZBQV-NRFANRHFSA-N 394.446 3.489 0 3 GGAF O=C1c2cccc3nc(N4CCCC4)cc(c23)C(=O)N1CCCN1CCCCC1 169351730 KAGNIQWRZQHQPY-UHFFFAOYSA-N 392.503 3.307 0 1 GGAF O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4cocn4)c3CCN12 169708338 HQFHZSUTMQDFLT-UHFFFAOYSA-N 385.427 3.102 0 1 GGAF CCOc1ccnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1F 169709846 NFGAXDBOTFBQLT-KBXCAEBGSA-N 387.455 3.474 0 1 GGAF CO[C@H](c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 207082096 OSRKPRHWTFIMHG-QGZVFWFLSA-N 397.928 3.468 0 1 GGAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4055147 QYIGWFDBHGMVLK-MJGOQNOKSA-N 389.883 3.483 0 1 GGAF O=C(NC[C@@H]1CCCO1)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl 4903158 UBBXAXBLJDJYOZ-KXBFYZLASA-N 384.863 3.332 0 1 GGAF C[C@H](C(=O)O)N(Cc1ccccc1Cl)C(=S)NC(=O)c1ccccc1 10450368 UWDVVWOFGNHZKH-GFCCVEGCSA-N 376.865 3.330 0 1 GGAF O=C1CC[C@](CCC(=O)N2CCOc3ccccc3C2)(Cc2cccs2)N1 11971936 ADDITXKFHCYMQY-NRFANRHFSA-N 384.501 3.141 0 1 GGAF CN(Cc1ccccc1Cl)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 28572182 ILYRRCMHJGURAS-IBGZPJMESA-N 392.837 3.230 0 1 GGAF Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCc4ccncc4)cc[nH]c3=O)nc12 28893857 FIMADBVTKMEGKK-UHFFFAOYSA-N 397.442 3.419 0 1 GGAF Cc1cccc(C(=O)N2CCC(COc3cccc4nc(N)nc(N)c34)CC2)c1 28971779 RIFBEVGNWCZAEM-UHFFFAOYSA-N 391.475 3.034 0 1 GGAF CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O 38626592 AGILSCYONDSASQ-FPTDNZKUSA-N 394.425 3.224 0 1 GGAF CC(C)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](C)CN2 82211944 ILCCXXOWBFNKRD-HNNXBMFYSA-N 378.476 3.266 0 1 GGAF Cc1cnc(C(=O)Cc2ccc(F)c([C@@]3(C)N=C(N)SCC34CC4)c2)cn1 96172070 YNIVCWHILKUCSN-LJQANCHMSA-N 384.480 3.406 0 1 GGAF O=C1N(c2ccccc2)c2nc[nH]c(=O)c2[C@@H]2[C@@H](N3CCCC3)CCCCN12 103201378 BYVKSBZNMZWONN-WMZOPIPTSA-N 379.464 3.033 0 1 GGAF O=C1CCc2cc(OCCCN3CCOCC3)ccc2N1CCc1ccccc1 169308743 VIWXYMUZFSFUGB-UHFFFAOYSA-N 394.515 3.310 0 1 GGAF CC(=O)OC[C@]1(O)OC[C@]23CC[C@@H]4[C@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@H]2CC[C@@H]13 253634752 NMXQNNZLXKLLEI-UNIMUPJHSA-N 390.520 3.188 0 1 GGAF CCC[C@@H]1CN(CCCC[C@H]2CNC(=N)N2CC2CCC(C)CC2)C(=N)N1 299868262 ZMGBTPOVTMZTSK-GMNCBBECSA-N 376.593 3.200 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(OC)ncc3[nH]2)cc1 587040318 MWZLMNFUPJDJMG-INIZCTEOSA-N 384.461 3.253 0 1 GGAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(S(C)(=O)=O)ccc2[nH]1 587147963 DOSCVJMHXTXQAD-UHFFFAOYSA-N 388.399 3.312 0 1 GGAF Cc1nc(=N)[nH]cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335077 KODJGRPJIZPBNS-NQIIRXRSSA-N 379.391 3.317 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)O2 587400048 OGXOHBKHDVCGBO-LEWJYISDSA-N 388.464 3.081 0 1 GGAF COc1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594584 LWPKTWYVKOKEQZ-PGRDOPGGSA-N 389.363 3.210 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)OC(C)(C)C2)N1 587831277 HUHBQPNEXWILGB-HUTHGQBESA-N 384.245 3.485 0 1 GGAF O=C(CN1CCN(Cc2ccccc2)CC1)n1nc2cc1Oc1ccc(F)cc1-2 587876735 XMYVWFQUDITXJG-UHFFFAOYSA-N 392.434 3.253 0 1 GGAF COc1ccc(NS(=O)(=O)c2ccc3[nH]c(/C=C/C=C/C(=O)O)nc3c2)cc1 587968679 NSCOSYXHQKHDBA-ZUVMSYQZSA-N 399.428 3.026 0 1 GGAF Cc1ccc(OC(F)F)c([C@@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963466736 FAYRAXZYNJCKLC-YWZLYKJASA-N 377.387 3.473 0 1 GGAF COc1ccc(CN=c2[nH]c(N3CCCC[C@@H]3CO)nc3ccccc23)cc1 1857557461 LIVKGIJCKAQZRN-QGZVFWFLSA-N 378.476 3.024 0 1 GGAF COC(=O)C[C@@H]1[C@H](C(=O)OC)c2ccccc2N(C(C)=O)[C@@H]1c1ccccc1 1857642112 DFFYLNFJCWFCTJ-DUXKGJEZSA-N 381.428 3.230 0 1 GGAF CN(C)c1ccc(N2C(=O)CN(Cc3ccc(F)cc3F)C2=S)cc1F 1857754330 FVZXGNCDEQBXAR-UHFFFAOYSA-N 379.407 3.304 0 1 GGAF CC(=O)O[C@H]1[C@H](OC(=O)C=C(C)C)c2c(ccc3c2OC(=O)CC3)OC1(C)C 2356767200 TZFHWBOBWQNLFR-UXHICEINSA-N 388.416 3.191 0 1 GGAF Cc1cc2nc(CN(C)C(=O)[C@H]3CCC(=O)N(C4CCCC4)C3)[nH]c2cc1C 12706247 FUDBBLFSFDNHOS-INIZCTEOSA-N 382.508 3.319 0 3 GGAF CSc1nnc2c(n1)C[C@H](c1ccccc1)[C@@H](C)[C@@H](C(=O)N1CCCC1)C2 36381821 SSAOCBLEPIURTR-PVAVHDDUSA-N 382.533 3.351 0 3 GGAF COc1cc2c(cc1OC)[C@]1(Cc3ccc4c(c3[C@@H]1OC)OCO4)N(C)CC2 2356383921 DZYSSFNYDTVPHM-VXKWHMMOSA-N 383.444 3.060 0 1 GGAF COc1ccc2c(c1)OCc1cccnc1C2=C1CCN(CCC(=O)O)CC1 27556961 YBNCFHAZAXQPSA-UHFFFAOYSA-N 380.444 3.355 0 1 GGAF C[C@H]1CC=C(Nc2cccc(Br)c2)c2ncc(C(=O)O)c(=O)n21 101200190 DYBOLYDRHVFACW-VIFPVBQESA-N 376.210 3.122 0 1 GGAF CCOC(=O)N1[C@@H]2CC[C@@H]1CC(N1CCC[C@H](NC(=O)c3ccccc3)C1)C2 101505683 OHFJWWZZUQRDMV-IPMKNSEASA-N 385.508 3.033 0 1 GGAF Cc1ccc(N2CCC[C@@H](CO)C2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C 216499751 BVLDTCPPYOKJCV-MRXNPFEDSA-N 397.475 3.166 0 1 GGAF COc1ccccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 33819154 HENQCOBRCXLFNN-NRFANRHFSA-N 385.423 3.241 0 1 GGAF COC(=O)[C@@H]1[C@H](OC(C)=O)CC=C2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 13452885 ZZUKOJLMGSWLOO-WJMWBRGCSA-N 394.471 3.138 0 1 GGAF biogenic CC(C)N1CNc2c(Nc3cccc(Cl)c3)nc(NCCN(C)C)nc21 70719231 GBMGDJPWHQBSDS-UHFFFAOYSA-N 375.908 3.445 0 1 GGAF CCOC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(O)c2)N1C(C)=O 49808145 BTYXAYFKYZQQTA-CTNGQTDRSA-N 378.428 3.299 0 1 GGAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(CCO)c2)cc1 199945532 HGGJDZUPHZONTQ-UHFFFAOYSA-N 385.489 3.040 0 1 GGAF CC(=O)O[C@@H]1C[C@@H]2[C@H](Cc3occc3[C@@H]2C)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@]12O 141953671 YJFHKXMTSBXFEN-JCRJRGEQSA-N 376.493 3.425 0 1 GGAF CCC[C@@H](CC1(C(=O)N[C@H]2CC[C@@H](C(=O)N(C)C)CC2)CCCC1)C(=O)O 253638910 BFHMTMVYWRPPAG-YESZJQIVSA-N 380.529 3.201 0 1 GGAF COc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc(OC)c1O 587785524 NIDQPBMTPZYTOC-UHFFFAOYSA-N 393.403 3.012 0 1 GGAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc4ncccc4c3[nH]2)cc1 586926430 PVHUOXMTOITSHB-UHFFFAOYSA-N 379.441 3.330 0 1 GGAF Oc1nc(NCc2ccccc2)c2nc(CCOCc3ccccc3)nc-2[nH]1 587566257 CQFXWBZZQABOHB-UHFFFAOYSA-N 375.432 3.382 0 1 GGAF C[C@H](Cn1cccn1)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 587923945 UIDSXAAPEYAUNM-CYBMUJFWSA-N 376.507 3.206 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(F)ccc12 587736898 XGJIVRHCOCUDLJ-CQLKUDPESA-N 379.204 3.457 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCN1C[C@H](C)O[C@@H](C)C1 587872635 PFDGGHLZRLCVGS-GJZGRUSLSA-N 375.444 3.227 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(OC)c(OC)cc21 587479698 CQHHVJITLJHMES-NRFANRHFSA-N 383.400 3.175 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587173551 DQRPDONJKKIGKQ-GOSISDBHSA-N 389.452 3.409 0 1 GGAF CCn1nc(C)c([C@]2(C)N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c1C 962630265 HSDMQNIOXMQYIR-UGSOOPFHSA-N 397.397 3.281 0 1 GGAF COCCCN1CCc2ccc(OC)cc2[C@]12CC[C@@H](C(F)(F)F)C[C@@H]2N 961319327 HSNPVCJNNVXJQW-MNEFBYGVSA-N 386.458 3.475 0 1 GGAF C[S@@](=O)c1[nH]c2cc(Br)cc(Br)c2c1[S@@](C)=O 13449778 AWVBMHXHQPJBDF-IRXDYDNUSA-N 399.129 3.168 0 1 GGAF biogenic COc1cccc2c1CCC[C@H]2NC(=O)CN1CCN(c2ccccc2)CC1 13757363 ZFSPQLXKVJSAMN-OAQYLSRUSA-N 379.504 3.011 0 1 GGAF COc1cc2c(cc1OC)[C@H]1O[C@H](OC)c3c(ccc4c3OCO4)[C@@H]1NCC2 15257540 JEUAVYPZVKRQOZ-ZVDOUQERSA-N 385.416 3.036 0 1 GGAF endogenous,in-man COC(=O)/C1=C\[C@@H]2O[C@@]2(C(C)C)CC/C(C(=O)OC)=C\CC[C@@H]2O[C@H]2CC1 169370963 WEANQMQJACYEMJ-YPHIAXOYSA-N 378.465 3.100 0 1 GGAF Cc1cccc(CC(=O)Nc2cncc(C(=O)c3cn(C)c4ncncc34)c2)c1 169707719 QTLAPPLVEJDFSG-UHFFFAOYSA-N 385.427 3.084 0 1 GGAF Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(OC(C)C)cn4)C3)ccc2n1 1857644022 RFZUNTGHEKPKHH-UHFFFAOYSA-N 391.475 3.047 0 1 GGAF O=C(C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NC1CCCC1 2938562 MXQYLTMCVZXJBD-MRXNPFEDSA-N 396.896 3.402 0 3 GGAF Cc1nn(CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c(=O)c2cc3cc(F)ccc3n12 6749919 SWCOIVXMTTXRBT-IGCXYCKISA-N 384.455 3.038 0 1 GGAF CCOC(=O)C1=NO[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 28962003 KABGQMNIONMFQJ-JOCHJYFZSA-N 393.487 3.389 0 1 GGAF COc1ccc(Cl)cc1CN(C)CC(=O)/N=c1\cc[nH]n1[C@H](C)C1CC1 102144227 AUBIFAZDABKEHM-OFLRGPKASA-N 376.888 3.009 0 1 GGAF O=C(Nc1nc2ccc3[nH]ncc3c2s1)[C@H](CO)Nc1ccc(Cl)cc1 115719777 PXKQKKHBHPRTEG-AWEZNQCLSA-N 387.852 3.238 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc([C@@H](C)N3CCOCC3)cc1)C2 28334325 CQESHWHFRATISZ-IVZQSRNASA-N 397.471 3.283 0 1 GGAF COc1ccccc1[C@@H]1OC(=O)C[C@@H]1C(=O)OC[C@@H]1CCCN2CCCC[C@H]12 6762663 RLQUGMOZSOFTJC-JWVYWZTKSA-N 387.476 3.107 0 1 GGAF biogenic O=C(CNc1cccc(Cl)c1)N1CCCN(Cc2nc3ccccc3[nH]2)CC1 49088488 KMLUCIXIHJIYKD-UHFFFAOYSA-N 397.910 3.363 0 1 GGAF C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1 96175595 GRALYLLGLCRICT-HZPDHXFCSA-N 395.438 3.121 0 1 GGAF COC(=O)N1CCc2cc3c(c4c2[C@@H]1Cc1cc(OC)c(OC)cc1-4)OCO3 238786608 YUSWPZFYJWNEHE-AWEZNQCLSA-N 383.400 3.321 0 1 GGAF O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2cscn2)C1 95565478 XDVOAXOJEKZACL-UHFFFAOYSA-N 380.260 3.364 0 1 GGAF CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O[C@H]1CCCCO1 253794643 XMUNEJRPCVXODW-PWIZWCRZSA-N 388.416 3.480 0 1 GGAF O=C(N1CCSCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657743 ZBGOHOUSBKIHIT-UHFFFAOYSA-N 387.411 3.359 0 1 GGAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(Br)c(F)c2[nH]1 586962323 QDCNWDWQMDQGRX-YFKPBYRVSA-N 384.234 3.396 0 1 GGAF Cc1csc([C@@](O)(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)C(F)(F)F)n1 587094889 VQJREFCLJKLTGS-NSHDSACASA-N 397.304 3.081 0 1 GGAF CCOc1ccccc1[C@@](N)(c1nc2cc3c(cc2[nH]1)OCCO3)C(F)(F)F 587091149 BXKIXHIOUDTDOP-GOSISDBHSA-N 393.365 3.497 0 1 GGAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(C(N)=O)c2[nH]1 587111883 FIFGMXZYTZZONV-SFHVURJKSA-N 390.365 3.080 0 1 GGAF CCc1nn(C)c(OC)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581478 LIDDMUBMXVFAMX-FXAWDEMLSA-N 380.400 3.400 0 1 GGAF N[C@H](N=O)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587149687 PTDMLBGTBSWVEW-KPZWWZAWSA-N 385.374 3.081 0 1 GGAF CCOC(=O)c1nn(C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587762766 FXNXBQFRAWEXFI-VFZGTOFNSA-N 396.260 3.122 0 1 GGAF O=C(O)CSc1ncccc1-c1nc2c(Br)ncc(F)c2[nH]1 586968250 MFJYRFAOVHAWMP-UHFFFAOYSA-N 383.202 3.098 0 1 GGAF COc1ccc(C=O)c(-c2nc3c(Br)ncc(F)c3[nH]2)c1OC 587786644 MZIWISXCYDDVFM-UHFFFAOYSA-N 380.173 3.356 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@@H]1[C@H]3C[C@@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@@H]3[C@H]12 587603389 NFYLWRKQZDBMMC-LEKGZAFPSA-N 386.403 3.049 0 1 GGAF Cc1c(F)ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12 587024413 ZELOKJSGYLBCEV-UHFFFAOYSA-N 382.424 3.495 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1c(C)nn(C)c1C)CC2=O 587474687 GPLNCNQDNMLZSZ-OAQYLSRUSA-N 386.448 3.119 0 1 GGAF COc1ccc(OC)c([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1 962668804 OURHQHRLJAZKMR-NZQKXSOJSA-N 392.455 3.440 0 1 GGAF COc1ccc2c(c1OC)[C@@]1(CCc3c(OCCN)cccc31)N(C)[C@H](C)C2 962640755 RUHYSWZCPICEJC-CMJOXMDJSA-N 382.504 3.108 0 1 GGAF CC(C)(C)OC(=O)N1CC[C@@]2(C1)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962764257 KYZYWWAETSFCRS-KDOFPFPSSA-N 384.398 3.168 0 1 GGAF COc1nccc2oc(-c3cnc4ccc(OC[C@H]5CCCCN5)nn34)cc12 1772636491 WFGGSCDJNHNYQI-CYBMUJFWSA-N 379.420 3.067 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC3CC(N(C)C)C3)c2cn1)c1ccccc1 1772606431 FXYAYNKCDAUWIJ-IUDNXUCKSA-N 393.495 3.345 0 1 GGAF Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCc2ccccc2)c(C)o1 5058459 BOMAVUCJPDMXJO-UHFFFAOYSA-N 398.484 3.190 0 3 GGAF COC(=O)c1ccccc1S(=O)(=O)N1CCC2(C=Cc3ccccc32)CC1 13728238 SVTAXVVDZOIZPK-UHFFFAOYSA-N 383.469 3.223 0 1 GGAF O=C(Nc1ccc2c(c1)CN(Cc1ccc3nsnc3c1)CC2)[C@H]1CCCO1 15080502 RGYKSXXNQDKAIN-HXUWFJFHSA-N 394.500 3.367 0 1 GGAF C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCCC 4548105 KZZHMYBBWKVXKU-BCVZPTCWSA-N 388.508 3.064 0 1 GGAF CCOc1ccc2c(C(F)(F)F)c(OC)ccc2c1C(=O)N(C)CC(=O)O 13823568 ZRFFKVSULUTYGB-UHFFFAOYSA-N 385.338 3.423 0 1 GGAF COc1ccccc1N1CCN(CCCOc2ccc3c(=O)ccoc3c2)CC1 13860926 RBYKFRMVHCJOJK-UHFFFAOYSA-N 394.471 3.393 0 1 GGAF C[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 28712938 LILMACHWEDUPFV-SNYIIPAISA-N 392.499 3.239 0 1 GGAF CC1(C)C[C@H](C(=O)NCCCNCc2ccc(C(F)(F)F)cc2)C(C)(C)N1 40466462 BDRXSEWDYMWQHC-MRXNPFEDSA-N 385.474 3.468 0 1 GGAF CC(=O)N1N=C(c2ccc(S(C)(=O)=O)cc2)C[C@H]1c1ccc(Cl)cc1 66259263 QNSIXESSHMSQMT-SFHVURJKSA-N 376.865 3.441 0 1 GGAF O=C(N[C@H](COCc1ccccc1)C(=O)O)c1csc(-c2ccccc2)n1 82074172 VRKWJCIGYNYRNL-MRXNPFEDSA-N 382.441 3.210 0 1 GGAF CN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1CC1CC1)C(=O)c1cccc(F)c1 95895800 QGIFPCGEAOQIGK-BDTNDASRSA-N 382.479 3.137 0 1 GGAF CC(=O)Nc1ccc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cc1F 113239476 ONLUAEHRRPWDIA-UHFFFAOYSA-N 387.806 3.319 0 1 GGAF CCCS(=O)(=O)c1ccc2[nH]c(N3CCN(C)[C@@H](c4ccccc4)C3)nc2c1 169294907 GUHWVHQUMJTYGQ-HXUWFJFHSA-N 398.532 3.240 0 1 GGAF CO[C@@]1(c2ccc3c(c2)OCO3)O[C@@H](c2ccc3c(c2)OCO3)[C@H](C)[C@@]1(C)O 206832198 KBHMRUUVCVKJQY-IFTWRKMESA-N 386.400 3.102 0 1 GGAF O=C(c1cccc(C(F)(F)F)c1F)N1CCc2c(nnn2-c2ccccn2)C1 225974291 KJPJTXHLOGIVHU-UHFFFAOYSA-N 391.328 3.019 0 1 GGAF C/C=C(/C)C(=O)O[C@H]1CC[C@]2(O)C[C@]3(OC)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 238768862 JEEFDVONXYYLJM-ZBZIVVNHSA-N 378.465 3.042 0 1 GGAF Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](C1CCCCC1)OCC3 473081271 BKQSLKUXVVHPIQ-OAQYLSRUSA-N 393.487 3.357 0 1 GGAF Cc1cc(Cl)cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c12 586954368 AVLVDRZAZRTKCG-UHFFFAOYSA-N 390.896 3.092 0 1 GGAF CN1CCN(c2ccc3nc([C@@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3c2)CC1 587039197 CTPDHPSAASJQGQ-LEWJYISDSA-N 393.560 3.261 0 1 GGAF Cc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2n1 587188833 XMRDYVRDGZMOOS-UHFFFAOYSA-N 375.173 3.186 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(O)ccc(O)c21 587405510 XJMLEDNGJDBNHS-HSZRJFAPSA-N 387.391 3.442 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(CCc1ccc(OCC(=O)O)cc1)[C@@H](C2)C3=O 587442621 RMHRXHBUFXXXJO-HTAPYJJXSA-N 382.412 3.298 0 1 GGAF CCc1ccc([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587612438 VUPVOWXCMVKZIE-AUSIDOKSSA-N 392.407 3.122 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn3cccnc3n2)N1 587775550 RQNMAOMRUILLSA-DYZYQPBXSA-N 375.245 3.429 0 1 GGAF CCOC(=O)c1c[nH]nc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587801505 HAEGSGYTVKYUJY-ANRSDYALSA-N 382.233 3.112 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(S)nc2O)N1 587844157 MMYCXVRHNQUESE-KWKYVRJSSA-N 384.274 3.170 0 1 GGAF CCN(C)C(=O)Oc1cccc(CNC(=O)/C=C/c2ccc(O)c(OC)c2)c1 1772586997 BEEADECNBDXCQZ-PKNBQFBNSA-N 384.432 3.181 0 1 GGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccnc(OCCO)c21 1857619558 ZZJGGRGYESVRRC-UHFFFAOYSA-N 389.455 3.107 0 1 GGAF O=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1ccccc1Cl 1857639269 RYDBHKHKSCYBFA-UHFFFAOYSA-N 394.924 3.162 0 1 GGAF CCO[C@@H]1OC(C(=O)O)=C[C@H](c2cn(C(C)=O)c3ccccc23)[C@H]1CCCO 13118552 RTKBABQJPCRCTI-VWKPWSFCSA-N 387.432 3.135 0 3 GGAF COc1cc(OC)nc(Nc2nc([C@H](N)c3ccccc3Cl)cs2)n1 61906730 FZYLPZHXFIFXQB-CQSZACIVSA-N 377.857 3.395 0 3 GGAF COc1cc(C)ccc1OCc1cc(C(=O)N2CCC(N3CCCC3)CC2)no1 11662715 YFHYWRCTGUDHDX-UHFFFAOYSA-N 399.491 3.271 0 1 GGAF COC(=O)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 13832034 VZTAZBLKBZEBMS-UHFFFAOYSA-N 392.455 3.057 0 1 GGAF CN(C)C(=O)[C@H](N)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 29127728 GITLEYILXCMHQX-LJQANCHMSA-N 394.500 3.338 0 1 GGAF CC(=O)[C@H]1[C@H](C(CO)CO)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 40915215 KQZKSBWRIYJXKS-DHGNAMJVSA-N 392.580 3.422 0 1 GGAF CCN1CCN(C(=O)c2sc3ncnc(N4CCCC[C@H]4C)c3c2C)CC1 58176050 QELIQWUAUMHWOF-CQSZACIVSA-N 387.553 3.156 0 1 GGAF Cc1nc2n(c1C)Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1 58591268 SOXIOTAVNTWQJT-UHFFFAOYSA-N 394.519 3.088 0 1 GGAF COc1ccc(-c2oc3c(OC)c(OC)c(OC)cc3c(=O)c2OC)cc1N 66251160 RIIPYJYRBOQZEW-UHFFFAOYSA-N 387.388 3.085 0 1 GGAF Nc1ccccc1C(=O)n1c(-c2ccc(S(=O)(=O)O)cc2)nc2ccccc21 66262157 RBRHSZTVTINLHX-UHFFFAOYSA-N 393.424 3.221 0 1 GGAF N=C(NCCCCNCCCNC(=N)Nc1ccccc1)Nc1ccccc1 95604382 USXUJVQXSFBIBC-UHFFFAOYSA-N 381.528 3.019 0 1 GGAF O=C(O)CCC/C=C\C[C@@H]1[C@H](/C=C/[C@@H](O)C2CCCCC2)[C@H]2O[C@H]1[C@H]1O[C@H]21 100988503 BLPTUHHFIMEDBU-AIRKCWIHSA-N 376.493 3.466 0 1 GGAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(-c3cccnc3)no2)n1 221132207 FGBFPYWBLNXTGQ-GXTWGEPZSA-N 395.423 3.076 0 1 GGAF CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1nc(C)cc(C)n1)C2 226059806 JDYGOQQIFNKLJL-BBWFWOEESA-N 381.480 3.053 0 1 GGAF CS(=O)(=O)/C=C\c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586925164 FSTSQWCFVRVUDM-IHWYPQMZSA-N 385.161 3.239 0 1 GGAF C[C@]1(c2cccnc2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587750 OFTCXIVLUDNKOP-IIBYNOLFSA-N 377.352 3.362 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCO)cc1 587596396 OHVNYOVJXDLYMV-SIKLNZKXSA-N 378.380 3.466 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(N)=O)N1 587740401 AUDVMXYHPMDEPH-MGNBDDOMSA-N 393.256 3.076 0 1 GGAF COCCCn1nccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587759646 LRPPZQFDFXUQCM-APPDUMDISA-N 382.277 3.445 0 1 GGAF COC(=O)[C@@H]1[C@H](C)CC(=O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587804747 FJZDCNASUKQZKJ-QJIICXBUSA-N 398.272 3.106 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCc2nnc(C3CC3)n2C1 587871680 BDYHSSYZFZZLQU-HNNXBMFYSA-N 395.438 3.460 0 1 GGAF CCOC(=O)CCC[C@]1(c2ccccc2OC(C)=O)NCCc2ccc(O)cc21 963343384 UZGZNCSRUAXZNB-HSZRJFAPSA-N 397.471 3.440 0 1 GGAF Cc1cc2c(cc1O)C1(C[C@@H]3CC[C@@H](C1)N3Cc1ccccc1)N[C@H](C(=O)O)C2 963491448 NVQWSNFLUJNPAE-ZJOUEHCJSA-N 392.499 3.322 0 1 GGAF Cc1c(Nc2ccc(OCCN(C)C)cn2)ncnc1-n1cnc2ccccc21 1772587213 AZULLIZFHKGTQS-UHFFFAOYSA-N 389.463 3.203 0 1 GGAF CCOC(=O)Cc1cc(-c2ccc(C(=N)N)cc2)oc1-c1ccc(C(=N)N)cc1 1772615914 CXYACXAIJKWCOX-UHFFFAOYSA-N 390.443 3.287 0 1 GGAF O=C(c1ccnc(-c2nc(O)c3c(n2)CCC3)c1)N1CCC(C(F)(F)F)CC1 1857587161 MPPJMJNWDIVSHI-UHFFFAOYSA-N 392.381 3.147 0 1 GGAF CC(=O)OC[C@@](C)(O)C=Cc1c(O)ccc2c1O[C@H](c1ccccc1)CC2=O 2356736679 HHIQHUHYZFQZME-UNMCSNQZSA-N 382.412 3.426 0 1 GGAF c1ccc(CO[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5cccs5)n4)CO[C@@H]23)cc1 2356810612 AZKIQFCMNYTTMH-CUDHKJQZSA-N 395.484 3.369 0 1 GGAF O=C(CN1C(=O)C[C@H](c2ccco2)Sc2ccccc21)NC[C@@H]1CCCO1 4142096 NZBYNRJQUILALZ-KBXCAEBGSA-N 386.473 3.145 0 3 GGAF O=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1cccc2ccccc12 3819649 RLESTJQOEHIBLM-UHFFFAOYSA-N 397.434 3.139 0 1 GGAF COc1ccc2[nH]c3c(c2c1)CCn1c-3nc2cc(OC)c(OC)cc2c1=O 15211687 IKMLSJDNQBTYKH-UHFFFAOYSA-N 377.400 3.127 0 1 GGAF biogenic COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2Cl)ccc1O 28526716 DQDPFZCIXPELDU-QGZVFWFLSA-N 387.823 3.321 0 1 GGAF O=C(O)[C@@H]1C/C(=C2/CC(=O)N(c3ccccc3)C2=O)c2ccc(Cl)cc2N1 28823020 IBCPWDLVCKHIMP-ZWKQNVPVSA-N 382.803 3.326 0 1 GGAF COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc(C(=O)O)c3)C[C@H]1C=N2 49808087 JEZVTPABEJAHRG-HNNXBMFYSA-N 378.384 3.374 0 1 GGAF CC(=O)N[C@H](CSCC1=CC=C2C=Cc3cccc4c3[C@H]2C1=CC4)C(=O)O 71332186 YSISPQXLVACETJ-TZIWHRDSSA-N 379.481 3.468 0 1 GGAF CCOC(=O)CCc1c(C(=O)OCC)[nH]c(/C=C2/NC(=O)C(C)=C2CC)c1C 102935251 QHLGEWFJGYRRAC-GZTJUZNOSA-N 388.464 3.193 0 1 GGAF CC1=C[C@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)NCc3ccccc3)C(=O)[C@@H]12 169304388 DXHRWRQLRWGVBH-UJWQCDCRSA-N 397.544 3.035 0 1 GGAF C[C@@H](NC(=O)c1cnn2ccc(N3CCC[C@H]3c3cncc(F)c3)nc12)C1CC1 203697022 HRNZKBRSPYYSBU-ACJLOTCBSA-N 394.454 3.133 0 1 GGAF Cc1cc([C@H]2CN(c3ncnc4[nH]cc(-c5cccc(C#N)c5)c34)CCO2)on1 216472590 INGQNVFEYJPJFN-GOSISDBHSA-N 386.415 3.371 0 1 GGAF C/C=C(\C)C(=O)O[C@H]1c2cc3ccc(=O)oc3cc2O[C@@H]1C(C)(C)OC(C)=O 238762474 JSIFZCDOTCKEGQ-HWCZVSPCSA-N 386.400 3.446 0 1 GGAF CS(=O)(=O)/C=C/c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586927626 UTNSYTBVDRTRMU-NSCUHMNNSA-N 385.161 3.239 0 1 GGAF Cc1cc2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc2c(C)n1 586952912 JSDUFKRXODZSAW-UHFFFAOYSA-N 385.474 3.499 0 1 GGAF O=C(Nc1nc(Cc2nc3cc4c(cc3[nH]2)OCO4)cs1)c1cccc(O)c1 587019838 QMUIEFCGDYWHKD-UHFFFAOYSA-N 394.412 3.297 0 1 GGAF COC(=O)c1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 587131856 DZHKAQOLFWLMMJ-LLVKDONJSA-N 381.379 3.319 0 1 GGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Br)c(C)nc2[nH]1 587230592 ITSAZNWHBQBBAG-RYUDHWBXSA-N 395.301 3.065 0 1 GGAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587233345 MQUNZSAFZFZVGG-QWHCGFSZSA-N 379.482 3.127 0 1 GGAF COC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 587591538 VVTDGVXIAVFSRJ-LAUBAEHRSA-N 379.368 3.384 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1nc[nH]n1 587591899 XITWJZGTFSKAAT-AVRDEDQJSA-N 385.379 3.416 0 1 GGAF COc1ncnc(OC)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587776217 CBIWPICKVCLISI-XLKFXECMSA-N 382.233 3.019 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1COC[C@H]2CC(C(=O)O)C1 587834614 LRGLLLUSVFMGPU-CLLFDNKLSA-N 398.272 3.075 0 1 GGAF C[C@@H](Cn1cccn1)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 587923946 UIDSXAAPEYAUNM-ZDUSSCGKSA-N 376.507 3.206 0 1 GGAF COc1ncc([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cc1F 962703584 MFDYBVUIVMMRCT-KBPBESRZSA-N 388.292 3.076 0 1 GGAF COc1cc([C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(F)cc1O 962730338 NIKVGSVKGOGCRH-KBXCAEBGSA-N 383.341 3.449 0 1 GGAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(O)nc2)c1F 1772654330 SPSJCJJJLQTVLK-IINYFYTJSA-N 393.846 3.115 0 1 GGAF CN(C(=O)C1=CC2=N[C@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1)c1ccccc1 104009491 AHIPQEVESXHYLE-BBRMVZONSA-N 390.365 3.421 0 3 GGAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H](O)[C@@]4(O)C(C)=O)[C@@H]3CC[C@@H]2C1 2130706 RRDIUAREQABZFO-QCOXTQDGSA-N 392.536 3.252 0 1 GGAF CCCCc1nc2[nH]cnc2c2nc(-c3cc(OC)c(OC)c(OC)c3)nn12 13475529 BZGUKWZZBROAAA-UHFFFAOYSA-N 382.424 3.036 0 1 GGAF CCCCCOc1ccccc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C 13818332 JYBKTIAMEKFBCH-UHFFFAOYSA-N 384.480 3.315 0 1 GGAF CN1C(=N)N[C@](c2cccc(NC(=O)c3cccn3C)c2)(C2CCCCC2)C1=O 34950033 BLPHJRSVVFXPQF-QFIPXVFZSA-N 393.491 3.049 0 1 GGAF O=C(N[C@@H](COP(=O)(O)O)Cc1ccccc1)c1cc2ccccc2s1 39306102 SXNKHSLGMRZBAC-OAHLLOKOSA-N 391.385 3.352 0 1 GGAF in-vitro Cc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)SCC34CC4)c2)cn1 43200413 NOGGMIQGUZFIDD-GOSISDBHSA-N 385.468 3.233 0 1 GGAF CC(C)OC[C@@H]1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O 62224255 NHRLPAVZBKIQPV-SUMWQHHRSA-N 383.901 3.367 0 1 GGAF COCCN/C=C1\C(=O)N(C)c2cccc(Cl)c2N(c2ccccc2)C1=O 66263056 TVKAOSIFPIWVEA-FYWRMAATSA-N 385.851 3.101 0 1 GGAF O=C(O)COc1ccc(C(F)(F)F)cc1-c1ccc2c(c1)CCS2(=O)=O 71332119 RGQCCRLABIGEEH-UHFFFAOYSA-N 386.347 3.166 0 1 GGAF O=C(C1CCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 95893475 BIRAUTLKEYTQRA-BHDDXSALSA-N 390.483 3.193 0 1 GGAF CC(=O)O[C@H]1C/C=C(\C)C[C@H]2O[C@H]([C@@H]3[C@@H]([C@@H](C)CO)CC=C(C)[C@H]23)[C@]1(C)O 96086385 RNVBRXFRQSSZBZ-QAEVAGBDSA-N 378.509 3.004 0 1 GGAF C[C@H]1CCC[C@H](C)N1CCCNC(=O)Cn1ncc2c3ccccc3nc-2c1O 102870012 ZHLOXSRHSSLIDC-HOTGVXAUSA-N 395.507 3.011 0 1 GGAF O=C(Nc1cc2ccccc2cc1O[C@H]1CC[C@@H](O)C1)c1cnn2cccnc12 113651484 AOIYNNISGBAALT-SJORKVTESA-N 388.427 3.427 0 1 GGAF CCOC1CN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 144710108 JNESOEZGGGCZCU-LJQANCHMSA-N 377.362 3.326 0 1 GGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ncc4[nH]3)CC2)cc1 586954824 JCLUMMKNACODHM-UHFFFAOYSA-N 390.896 3.488 0 1 GGAF O=[S@](Cc1nc2c(Br)cnc(Br)c2[nH]1)CC1CC1 586959359 NJDONARJADCUOG-SFHVURJKSA-N 393.104 3.142 0 1 GGAF Cc1ccc(NC(=O)CSCCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 586970269 KLKQNHJLSYOUNX-UHFFFAOYSA-N 381.461 3.368 0 1 GGAF Cc1cnc2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 587188678 VJARJQFZQFLCEE-UHFFFAOYSA-N 375.173 3.186 0 1 GGAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](NC)c3cccnc3)nc2c1 587223543 NWXDPCBXIKGBIN-AWEZNQCLSA-N 389.253 3.206 0 1 GGAF N=c1cc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c[nH]1 587231529 RYVNCEYAQWNPAO-UHFFFAOYSA-N 388.431 3.260 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C(/C=C/C(=O)O)=COc4ccccc41)[C@@H](C2)C3=O 587451548 IBEORQNGBYJCCQ-MMIJAHHVSA-N 376.364 3.255 0 1 GGAF COCCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587584890 BMZCOESODVOZPB-NQIIRXRSSA-N 378.384 3.074 0 1 GGAF CCN(CC)c1ccc(-c2nn(-c3cnccn3)c(=O)c3ccccc23)c(O)c1 587665097 LUKSQUOAHZNOIU-UHFFFAOYSA-N 387.443 3.395 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2S(C)(=O)=O)N1 587845345 AIZKWVJDYBURSF-HICWGWBUSA-N 390.318 3.305 0 1 GGAF Fc1ccc(-c2noc([C@@H]3CCc4c(nnn4-c4ccc(F)nc4)C3)n2)cc1 653753986 KJEWSUMYPRQCGB-GFCCVEGCSA-N 380.358 3.263 0 1 GGAF COc1ccc2c(c1OC)C1([C@H]3CC4C[C@H]1CC(NC(C)=O)(C4)C3)N(C)[C@H](C)C2 962625735 FSCAHLHMRLCYGU-WMTFTZEUSA-N 398.547 3.490 0 1 GGAF Cc1ccc(C)c([C@]2(CCC(=O)O)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963020224 DSJINMSPYBIZQK-QMHKHESXSA-N 378.472 3.465 0 1 GGAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccnnc2)N1C(=O)c1ccccc1 963452855 ZUZYUKULWSEDEW-PZJWPPBQSA-N 398.422 3.199 0 1 GGAF CC1=NO[C@H](CNc2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)C1 1772656009 KNSHBQAVHVHTFG-HIFRSBDPSA-N 393.451 3.417 0 1 GGAF Cc1ccccc1CSc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 1857611180 OBUQYKHQLIGUOR-KRWDZBQOSA-N 380.469 3.048 0 1 GGAF COc1ccc(-c2noc(C(=O)O)c2[C@H](C)NC(=O)Nc2cccnc2)cc1 2356309649 YPTXCDOJYZGKEF-NSHDSACASA-N 382.376 3.326 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)C[C@@H](O)[C@@]32O)C1 2356469819 BTNNVJKPKCBODD-UNIMUPJHSA-N 390.520 3.172 0 1 GGAF CC=C(C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(C)=O 2356520219 FFCDTHIJWHJUQJ-RTBURBONSA-N 386.400 3.446 0 1 GGAF CCCCCC[C@H](O)C=CC(=O)O[C@@H]1[C@H](C)O[C@]2(C)C=C(C)C(=O)O[C@H]2[C@@H]1C 2356790705 FWQVNLMGFQLRJO-GGYJEZJFSA-N 394.508 3.471 0 1 GGAF O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2sccc21)c1ccccc1 4882346 MHUPFSUCYSWUBI-UHFFFAOYSA-N 380.400 3.236 0 3 GGAF CCCCN1C(=O)[C@H](CC(=O)NCC2CCCCC2)CC(C(=O)N(C)C)=C1C 61923393 AHHHCJMSROGPCN-SFHVURJKSA-N 391.556 3.084 0 3 GGAF COc1ccccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1 3814701 PPJJDRHEENWOPI-UHFFFAOYSA-N 397.378 3.214 0 1 GGAF CCCCN(C)C(=O)C1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1 4730543 SIZYYYXFSXVMMU-UHFFFAOYSA-N 380.554 3.338 0 1 GGAF O=c1ccc(S(=O)(=O)c2ccccc2Cc2cccc3ccccc23)n[nH]1 11536212 RGHJDZVESQQFER-UHFFFAOYSA-N 376.437 3.347 0 1 GGAF CC(=O)[C@H]1[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N[C@@]1(O)C(F)(F)F 12377581 QXWLIBJAVGUJDL-BQFCYCMXSA-N 394.349 3.289 0 1 GGAF COC(=O)c1cc(O)c(Cl)c(OC)c1Oc1cc(C)cc(O)c1C(=O)O 14618672 IIYITKOZMVYHKY-UHFFFAOYSA-N 382.752 3.345 0 1 GGAF biogenic COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)C[C@H]2OC(C)=O)cc1OC 14643047 RRIRLULKYVXVEX-RTBURBONSA-N 388.416 3.329 0 1 GGAF biogenic C(=C1/CCCN(c2ccc(C3=NCCN3)cc2)C1)\c1ccc(C2=NCCN2)cc1 25996962 YYVFIGGEWQGLMO-MNDPQUGUSA-N 385.515 3.070 0 1 GGAF CC(C)(C)OC(=O)N1CCC[C@@]12c1ccccc1-c1[nH]c(=O)c3nccn3c12 26736328 UCVXQTQCXRNAAE-NRFANRHFSA-N 378.432 3.278 0 1 GGAF COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NN(C)C(=O)C2 28258310 RBWSNKAIGSTHNQ-UHFFFAOYSA-N 389.249 3.233 0 1 GGAF Nc1nc(N)c2cc(S(=O)(=O)c3cccc(-c4ccccc4)c3)ccc2n1 59720535 JUXNXVNTBUWZJH-UHFFFAOYSA-N 376.441 3.294 0 1 GGAF CC[C@H]1CN2C(=O)N(Cc3ccccc3)c3nc(-c4cc(C)n(C)n4)[nH]c3C2=N1 72107973 FVGHHSAQBICAFA-HNNXBMFYSA-N 389.463 3.100 0 1 GGAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 82143120 UMJSRIGBOROITO-UHFFFAOYSA-N 392.459 3.236 0 1 GGAF CN1CCC[C@H](Cc2nc3c(oc4ccc(Br)cc43)c(=O)[nH]2)C1 84724170 HNXYPVWPNANYAO-SNVBAGLBSA-N 376.254 3.316 0 1 GGAF COc1ccc(COC(=O)C2=C(C)N(C)C(=O)N[C@@H]2c2ccco2)cc1OC 95591700 JLXBORXLMOFCAZ-GOSISDBHSA-N 386.404 3.010 0 1 GGAF Cc1cnc(N(C)[C@@H]2CCc3c(CC(=O)O)c4ccc(Cl)cc4n3C2)nc1 203538940 PWMCLBZHIIGFST-CQSZACIVSA-N 384.867 3.471 0 1 GGAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccnc(-n2cccn2)c1 215901297 DKOWJSXOHAAFJN-NVXWUHKLSA-N 392.459 3.394 0 1 GGAF CN1[C@H]2COC[C@H]1CC(OC(=O)c1cn(-c3ccsn3)c3ccccc13)C2 220958558 IMTMGMMJRUWLOU-ZIAGYGMSSA-N 383.473 3.105 0 1 GGAF COc1ccc2c(c1)c(C=O)c1n2CCN2C(=O)c3cc(F)ccc3N(C)[C@@H]12 221984916 VJQPIWKUMIBLOY-HXUWFJFHSA-N 379.391 3.206 0 1 GGAF COc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)c1OC 299821177 YQAAQEWGUXUHKQ-BCDXTJNWSA-N 381.476 3.024 0 1 GGAF CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccc(O)cc2)NC(=S)N1 299867710 YMIRBIKGVVYPMY-INIZCTEOSA-N 396.497 3.433 0 1 GGAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(C)nc(C)cc2[nH]1 586937704 RZGXUUOUEGKZJD-OAHLLOKOSA-N 390.534 3.347 0 1 GGAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2c(S)nc(S)nc2[nH]1 587121181 WHVJONPLOVAIBK-UHFFFAOYSA-N 386.306 3.358 0 1 GGAF O=C(O)c1cc(F)cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587149698 QELWTHGDOXJCEC-JTQLQIEISA-N 389.333 3.195 0 1 GGAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(CCO)cc3[nH]2)cc1 587244874 NUMMLXFWAJRJAM-UHFFFAOYSA-N 376.416 3.237 0 1 GGAF COc1cc(C)c(N)c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 587249424 KZOJLBXWEWPOCY-UHFFFAOYSA-N 385.367 3.423 0 1 GGAF N=c1cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c2ccccc2[nH]1 587253402 GTXIBPKNGBCHCP-UHFFFAOYSA-N 392.362 3.484 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C1CC1)C(F)(F)C(=O)O 587545178 GUQRKZBGXCALKS-KSSFIOAISA-N 376.311 3.223 0 1 GGAF CC(C)(CN1CCOCC1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592700 ITVGTXVUYSMTPY-NQIIRXRSSA-N 383.444 3.081 0 1 GGAF CC[C@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1cc(Br)cn1 587650790 DZFOVDBTJCXPAD-CYBMUJFWSA-N 395.644 3.300 0 1 GGAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587768996 FURPHXHEHYVNBP-JDNHERCYSA-N 379.229 3.393 0 1 GGAF COc1cccc2c1[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587799431 XCBOFTTYFVSDBW-LZVRBXCZSA-N 391.240 3.327 0 1 GGAF CCOC(=O)[C@H]1CC[C@@]2(N[C@H](C(=O)O)Cc3cccc(F)c32)c2ccccc21 962899198 HLHLQVQXWFZSDB-LZFQIVBZSA-N 383.419 3.109 0 1 GGAF COc1cccc2cc3c(nc12)[C@](C)(c1ccc(NC(N)=S)cc1)NCC3 963034198 LYFMGMVGZWSRAU-NRFANRHFSA-N 378.501 3.308 0 1 GGAF Cc1cn([C@H]2CCN(Cc3cccc(Oc4ccccc4)c3)C2)c(=O)nc1O 1772570265 LDIOPPWCXJZOEP-SFHVURJKSA-N 377.444 3.497 0 1 GGAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3c[nH]nc3CO)cc2OC)c1 1772638071 JJSJCFRALYFXHF-CYBMUJFWSA-N 381.432 3.077 0 1 GGAF COc1ccc(Cl)cc1C(=O)N1CCN(c2nc3cc(N)ccc3o2)CC1 1857607429 MVXPHXFZRRBPIE-UHFFFAOYSA-N 386.839 3.034 0 1 GGAF CS(=O)(=O)c1n[nH]c(-c2cc(C(F)(F)F)ccc2OCc2ccccc2)n1 1857752540 DLQYDKFHYHKHNA-UHFFFAOYSA-N 397.378 3.473 0 1 GGAF CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1ccccc1Cl 7551083 BEMRHQHTHBAQEZ-INIZCTEOSA-N 380.828 3.108 0 3 GGAF COc1cc(OC)nc(Nc2nc([C@@H](N)Cc3ccc(F)cc3)cs2)n1 61928346 BWDNXNJYGPUKSS-LBPRGKRZSA-N 375.429 3.076 0 3 GGAF O=C(O)CCC(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1 4661692 GKQDLLALIGHFJJ-UHFFFAOYSA-N 387.867 3.470 0 1 GGAF CC(=O)N1[C@H]2CN(CC(F)(F)F)C[C@H]1C2c1ccc(Br)cc1 100087975 UGADQBGRJQOXJV-STQMWFEESA-N 377.204 3.010 0 1 GGAF O=C(c1ccc2c(c1)OCO2)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccnc2)cc1 100106128 MTIAETLFQSQLEY-NPHXMPSESA-N 399.450 3.057 0 1 GGAF Cc1cc(O)cc(O)c1[C@@H]1c2ccc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1O 2356540871 BOQHWAHDEDILLJ-BDTNDASRSA-N 380.396 3.444 0 1 GGAF O=C1CCCN1Cc1ccc(-n2nc(C(F)(F)F)c3c2COCC3)cc1F 64436941 KZYGGKQIKORKBT-UHFFFAOYSA-N 383.345 3.225 0 1 GGAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1C(=O)C1(c2ccccc2)CC1 61908134 BXJTXDIXVKDMGV-QFIPXVFZSA-N 392.455 3.119 0 3 GGAF CCCCC[C@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 34962003 ZHCWBIFELSAWPF-ZZXRBCSWSA-N 381.557 3.406 0 1 GGAF CN1CCN(C(=O)c2cnc(C(=O)CCCCCCc3ccccc3)o2)CC1 35259941 QTKKTGIDRZGKQZ-UHFFFAOYSA-N 383.492 3.438 0 1 GGAF COc1ccc(F)cc1C(C)(C)C[C@](O)(CN1CCC(=O)CC1)C(F)(F)F 34802047 GXMLOARZGCYGOF-SFHVURJKSA-N 391.405 3.460 0 1 GGAF CS(=O)(=O)c1ccc([C@H]2SCCC(=O)N2CCc2ccccc2)cc1 71281313 WNYAMJLZANBXDA-LJQANCHMSA-N 375.515 3.297 0 1 GGAF O=C1CC2(CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)Oc2cccnc21 40954033 OORIVESIQGRNJV-SJORKVTESA-N 377.444 3.147 0 1 GGAF CC(C)NC(=O)[C@H](Cc1c[nH]cn1)Nc1nc(-c2ccc(F)cc2F)cs1 82192129 WZXOODBMSCJNJP-HNNXBMFYSA-N 391.447 3.359 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C)[C@@H]1c1ccc(F)cc1 95599125 SURJSVNLERHCRZ-LJQANCHMSA-N 389.448 3.369 0 3 GGAF O=C1C[C@@H](c2ccccc2Cl)C(=O)N1CN1CCN(C2CCCCC2)CC1 96938147 YOOGAVVUCLDXFF-SFHVURJKSA-N 389.927 3.090 0 1 GGAF OCc1ccnc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 95570521 WDFBNARERGWSPX-UHFFFAOYSA-N 396.438 3.112 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCc5ccncc5C4)ncc23)ccn1 261166874 SAUGSNLQERJUSH-QGZVFWFLSA-N 399.458 3.402 0 1 GGAF CCCCC[C@H](O)CCC[C@H](CCCCCCC(=O)O)S(=O)(=O)CCO 144419310 RWCBBFGXZXCUJG-ROUUACIJSA-N 394.574 3.299 0 1 GGAF Cc1ccc2c3c(c4c(nc13)[C@@H]1[C@H](CC4)CN[C@@H]1C(=O)O)-c1ccccc1C2=O 587096393 JKPNKYJOWATELI-WAQMSGSHSA-N 384.435 3.457 0 1 GGAF C[C@H](F)[C@H](N)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587122876 GWPPODXXFUAMAU-VFZGTOFNSA-N 382.848 3.375 0 1 GGAF COC(=O)Nc1ccc(-c2nc3cc(C4=C(C)CC(=O)NN4)ccc3[nH]2)cc1 587243937 UOAFRILOMNCNIL-UHFFFAOYSA-N 377.404 3.164 0 1 GGAF CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587151145 GTNHIZNVLOCOIH-VXGBXAGGSA-N 377.416 3.363 0 1 GGAF CN(C)C(=O)c1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 587111046 IEYAYPGNPZJJHU-UHFFFAOYSA-N 390.365 3.214 0 1 GGAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587768994 FURPHXHEHYVNBP-ABKXIKBNSA-N 379.229 3.393 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(CO)OC=C1OCc1ccccc1)O2 587415307 ZVHVKDDFQFVLSH-JOCHJYFZSA-N 379.412 3.246 0 1 GGAF COC(=O)c1ccc(-n2c(O)ccc2OC(C)(C)C)c(O[C@@H]2CCOC2)c1 587924784 IXPGWFXISVIKJO-CQSZACIVSA-N 375.421 3.315 0 1 GGAF COc1cc(Br)c2c(c1)NC(=O)[C@@]21NCCc2cc(C)c(F)cc21 962303097 UNPBJQSJCCXFQK-SFHVURJKSA-N 391.240 3.247 0 1 GGAF COCCCN1CCc2ccc(OC)cc2[C@]1(C)c1ccc(-c2nn[nH]n2)s1 961319594 JECZKUCUQIQZFQ-HXUWFJFHSA-N 399.520 3.095 0 1 GGAF C[C@@]1(c2ccc(NC(=O)C(F)(F)F)cc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962919670 KJESJJHFGXPQNA-KSSFIOAISA-N 396.340 3.189 0 1 GGAF O=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)Nc1ccccn1 1772645457 FUDXEEMUHPCACI-UHFFFAOYSA-N 381.867 3.044 0 1 GGAF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2[C@@H](O[N+](=O)[O-])C[C@]2(C)[C@@H](O)CC[C@H]12 5712371 UPINFWLBXPICIJ-APNJTCTJSA-N 375.421 3.016 0 1 GGAF CCOCCCNC(=O)c1ccc(OC)c(OC2CCN(C(C)C)CC2)c1 11874295 TVNKTSAFHOGNAA-UHFFFAOYSA-N 378.513 3.103 0 3 GGAF COc1ccc2c(C(=S)N(C)CC(=O)O)cc(F)cc2c1Br 13823542 UXPTZLWVAZNHIA-UHFFFAOYSA-N 386.242 3.442 0 1 GGAF O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)C1CCC1 169304321 BSERLNWDNLJYKM-UHFFFAOYSA-N 391.518 3.333 0 1 GGAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@@]43C)[C@H]1CC[C@@H]2O 169369649 GZTBIVVIIVOAGD-XJKGWNRQSA-N 392.565 3.009 0 1 GGAF Cc1ncc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)cn1 169708478 NXWRDGYXAULZIN-XZOAIXRZSA-N 376.432 3.098 0 1 GGAF COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1nnc(C(C)C)s1 1379766 ZHOYFDOOGSOSMT-CYBMUJFWSA-N 389.481 3.305 0 3 GGAF COc1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)c1 1379799 PYIRYWIMAFWKBJ-MRXNPFEDSA-N 383.404 3.059 0 3 GGAF Cc1nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2n1-c1cccc(F)c1 2926498 GWCUHMKPDGYAHA-UHFFFAOYSA-N 395.434 3.452 0 3 GGAF COC(=O)c1cc2c3c(ccc2[nH]1)OC[C@@H](CNCCCc1ccccc1)O3 3801183 NBCYJDUUVPJJKY-MRXNPFEDSA-N 380.444 3.317 0 1 GGAF O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NC3CCCCCC3)ccc21 4971483 JKIKDGSVPPPKCX-UHFFFAOYSA-N 376.522 3.377 0 1 GGAF O=c1[nH][nH]c2nc3nc(-c4ccccc4)cc(-c4ccc(Cl)cc4)c3c(=O)n12 102842531 LTKIGOMHEZJXBX-UHFFFAOYSA-N 389.802 3.247 0 1 GGAF COc1ccc(/C=C/C2=C(C(=O)O)[C@@H](c3ccc(OC)cc3)NC(=O)N2)cc1 103172266 DBEKTLKGMNFWQP-GIHFNCESSA-N 380.400 3.110 0 1 GGAF Cc1ccccc1C(=O)N[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C[C@@H](O)[C@@H]1O 2356761619 RTZOLTWUYJZLTC-MLHJIOFPSA-N 379.378 3.022 0 1 GGAF O=C1c2ccccc2[C@]2(CC(O)=NC2=O)N1Cc1cccc(Br)c1 27523476 SUAUNENEUQLUGS-SFHVURJKSA-N 385.217 3.187 0 1 GGAF CC1=C[C@H](C[C@@]2(C)O[C@@H]2COc2c3ccoc3cc3oc(=O)ccc23)OC1=O 14422417 RJCCYQUNRFJCPC-LAECCNGNSA-N 382.368 3.337 0 1 GGAF biogenic O=C(c1cn(CCN2CCOCC2)c2ccccc12)[C@@H]1CC(F)(F)C1(F)F 45284238 ZCNIUENUNVHIIZ-HNNXBMFYSA-N 384.373 3.447 0 1 GGAF C[S@](=O)C[C@@H]1[C@H]2CC[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]3C2)[C@H]1O 40575822 RSTMEZAVUUMLEO-RUVDLOEQSA-N 382.566 3.449 0 1 GGAF COc1ccccc1[C@]1(O)c2ccc3[nH]c(C)c(OC)c(=O)c3c2[C@@H]2CC[C@H]1O2 86003509 VTNKIOPLJCPQRL-IXFSTUDKSA-N 393.439 3.323 0 1 GGAF biogenic,in-vitro CN(Cc1cn2c(-c3ccc(C(N)=O)cc3)cnc2cn1)c1ccc(F)cc1 220162735 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587368840 PRFDURUDLUOJGZ-SECBINFHSA-N 376.199 3.390 0 1 GGAF COc1cccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c12 587185559 LNJXQBTVBTWHLR-GFCCVEGCSA-N 393.228 3.419 0 1 GGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](C2=C(c3ccccc3)N3CCN=C3S2)N1 962896205 AWHQHJYLZUNWAH-DOTOQJQBSA-N 395.459 3.253 0 1 GGAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cnc(C(F)(F)F)s2)N1 963216996 AXJFUXKGGQGXNC-OCCSQVGLSA-N 379.363 3.398 0 1 GGAF CC(C)N1CCC([C@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)CC1 962642038 QUYICAPBFVSLHO-RHSMWYFYSA-N 386.414 3.346 0 1 GGAF CCN(CCCNC(=O)C[C@H]1Oc2ccc(C)cc2NC1=O)Cc1ccccc1 5069924 PDUSSOKKNZJREL-OAQYLSRUSA-N 395.503 3.113 0 3 GGAF CC(=O)Nc1cccc(-c2cncc(NCc3ccc4c(c3)OCCO4)n2)c1 13679270 RICRNXHHSBGKSW-UHFFFAOYSA-N 376.416 3.485 0 1 GGAF Cc1nc([C@H](NC(=O)c2ccc(C(F)(F)F)c(OCC3CC3)n2)C2CC2)no1 207736162 QJXIDJTYVUOGKY-CQSZACIVSA-N 396.369 3.462 0 1 GGAF O=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4cn[nH]c4)cnc23)cs1 144352868 SCSWHVITIPKUAU-UHFFFAOYSA-N 392.366 3.140 0 1 GGAF COC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCc1ccc2c(c1)OCO2 58603614 XCLJFCDEJNBRDD-SFHVURJKSA-N 383.444 3.029 0 1 GGAF COc1ccc(Cl)cc1C(=O)NCCc1ccc(CCC(=O)N(C)C)cc1 103299086 SDTGJOPOCCNWQO-UHFFFAOYSA-N 388.895 3.342 0 1 GGAF COc1ccc2c3c(c(=O)oc2c1)CN(CCN1C[C@H]2CCC[C@H](C2)C1)CC3 27734739 QWPVBALEGOKDEY-CALCHBBNSA-N 382.504 3.282 0 1 GGAF COc1ccc2c(c1)C[C@@H](C(=O)O)N2C(=O)[C@H](C)CSC(=O)c1ccccc1 27319284 OTMYNJIFQALLAX-ACJLOTCBSA-N 399.468 3.247 0 1 GGAF COc1ccc(Nc2ccc(F)c([C@@]3(C)N=C(N)N(C)C(=O)C3(C)C)c2)cn1 114108682 FCFZJECWFCAWSP-HXUWFJFHSA-N 385.443 3.001 0 1 GGAF COc1ccc2[n+](c1OCCN(C(C)C)C(C)C)CCc1cc3c(cc1-2)OCO3 28865100 ANHMWWYNKZMBDK-UHFFFAOYSA-N 399.511 3.432 0 1 GGAF C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)c1ccc(NS(C)(=O)=O)c(F)c1 73221885 DAXQIKPAMNQFOX-FZKQIMNGSA-N 390.480 3.495 0 1 GGAF CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccccc2)[C@@H]1c1ccccc1 43073825 IALMGZYMFZDZKC-GGAORHGYSA-N 394.471 3.283 0 1 GGAF CS(=O)(=O)NC(=O)c1ccc(OCC23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)cc1F 225211629 BQLMUMJFGNCPGG-NYYJTOMGSA-N 399.459 3.202 0 1 GGAF Cc1cnc(NC(C)C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(F)c2)c1 87613002 WBCQIYGNRFRWPC-GOSISDBHSA-N 397.454 3.203 0 1 GGAF Cc1ccc(OCC2(O)CCC2)cc1-c1nnc2c(C)nc3cccnc3n12 145731709 VGRJHUXGIUNWST-UHFFFAOYSA-N 375.432 3.250 0 1 GGAF CC1=C[C@@H](O)[C@]2(C[C@H]3C(C)=CC[C@H]4[C@](C)(C(=O)O)CCC[C@]34C)O[C@@H]2[C@H]1O 96086372 OQFXTROEGKHUNA-ROYYKWNZSA-N 376.493 3.059 0 1 GGAF CCCCNc1ncc(C(=O)N(C)CCCC)c(N[C@H]2CC[C@H](O)CC2)n1 261187231 XUYGOTAWDBTFJQ-WKILWMFISA-N 377.533 3.276 0 1 GGAF O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccccn1 299821880 LMBKLWSPTMLAGN-JOCHJYFZSA-N 391.377 3.173 0 1 GGAF COC(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587588710 RRMHRLZNMIKWNH-FXAWDEMLSA-N 377.352 3.277 0 1 GGAF NC(=O)c1ccc2nc(-c3cc(I)ccc3F)[nH]c2c1 587182552 KPSVSJJYDPYPDN-UHFFFAOYSA-N 381.148 3.073 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3cc(Cl)c(OC)cn3)nc2c1 587065494 QVCUFRVOWNQSFX-UHFFFAOYSA-N 394.884 3.317 0 1 GGAF COC(=O)c1scnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616317 BPMDLIIADIHMAE-DYVFJYSZSA-N 383.381 3.338 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)n[nH]c2C(=O)O)N1 587706951 TUSHLKDBKVHVKW-ULHQUTTKSA-N 388.624 3.287 0 1 GGAF COc1cccc2c1NC(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587797433 WZEFCYCUOPSSLM-YYSFKGJASA-N 391.240 3.327 0 1 GGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)ncc2[nH]1 586964937 OSAANANZHSXVOA-UHFFFAOYSA-N 388.888 3.068 0 1 GGAF COc1cc2c(cc1OC)[C@](C)(c1ccc3c(c1)n(C)c(=O)n3C)N(C)[C@H](C)C2 962644457 YBIWDTYJNCRJDG-FATZIPQQSA-N 395.503 3.034 0 1 GGAF CCNC(=O)C1=Cc2ccc(OC)cc2O[C@H]1c1cc(OC)c(OC)c(OC)c1 13553849 SJFYMZSCBFDLSJ-FQEVSTJZSA-N 399.443 3.374 0 1 GGAF CCCCNC(=O)c1onc(CSc2ccncc2)c1C(=O)NCCCC 13660860 CLLGUYKDQXIETK-UHFFFAOYSA-N 390.509 3.422 0 3 GGAF COc1ccccc1C1=Nn2c(nnc2-c2cccc(OC)c2OC)SC1 13828670 MZTJWOVEGJIBJR-UHFFFAOYSA-N 382.445 3.329 0 1 GGAF Cc1ccc(CC(=O)Nc2cncc(C(=O)c3cn(C)c4ncncc34)c2)cc1 169707737 DLPJAPFRYNBDLP-UHFFFAOYSA-N 385.427 3.084 0 1 GGAF COc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H]3C[C@H]4C=C[C@@H]3C4)C2=O)cc1 2618644 WLDNKAUYZYEEKC-KPDDOTLASA-N 398.484 3.060 0 1 GGAF CN(C)[C@H]1CC[C@H](Nc2ncnc3[nH]cc([C@H]4CC[C@@H](C(N)=O)CC4)c23)CC1 1857654083 APLFXDJBXZUPOM-LDKKBFSKSA-N 384.528 3.002 0 1 GGAF CCc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)C[C@@]3(O)CC 3827202 RTGGYXAOZKQTAX-QHCPKHFHSA-N 390.439 3.032 0 1 GGAF CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)cc1 4049010 BITGMUPIVJGTLF-SAWYMBPVSA-N 395.503 3.243 0 1 GGAF N=C(NCCCc1c[nH]cn1)NCC[C@H](c1ccccn1)c1ccccc1F 13816200 RVUDFUIMYQMAOL-SFHVURJKSA-N 380.471 3.213 0 1 GGAF Cc1ccc(CN2CCN([C@@H]3CCc4cccc5c4N(C3=O)[C@H](C)C5)CC2)cc1 22927117 DKBPJHJAUABOCD-AUSIDOKSSA-N 389.543 3.405 0 1 GGAF CCN(C)CCC(=O)c1ccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40846608 ZQTCXVJEBYTDAF-JOCHJYFZSA-N 397.471 3.415 0 1 GGAF O=C(/C=C/c1c[nH]cn1)NCCCCC1CCN(C(=O)c2ccccc2)CC1 71330861 PRLFUXAOHZJLHD-MDZDMXLPSA-N 380.492 3.262 0 1 GGAF CC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4[nH]3)cc2)C1 72122854 STBXNCZYNRFWFR-SJORKVTESA-N 376.460 3.498 0 1 GGAF Cc1cc2ccccc2c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)n1 84724781 TUUADNJAZQZKLA-UHFFFAOYSA-N 375.472 3.272 0 1 GGAF in-vitro Cc1ccc(S(=O)(=O)N=[S@](C)(=O)Cc2sc(Cl)nc2C)cc1 103173710 UKQBWJUNPWKPRP-OAQYLSRUSA-N 378.928 3.400 0 1 GGAF O=C1Nc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2C1=O 169697453 CMGIPIKYBZTHFY-UHFFFAOYSA-N 375.350 3.167 0 1 GGAF COC(=O)[C@@H]1C[C@H]1c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 261142118 NGAGWVSXXQKIEL-MRVWCRGKSA-N 379.420 3.117 0 1 GGAF Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 535384622 BXLOOKPAMNLACC-UHFFFAOYSA-N 394.406 3.482 0 1 GGAF in-vitro O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)C2 586887079 SOYRDXKERDENHF-GARJFASQSA-N 384.379 3.495 0 1 GGAF NS(=O)(=O)c1ccc(CCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 586929269 CSQGAILQLFDPHZ-UHFFFAOYSA-N 387.358 3.153 0 1 GGAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(N)c(N)cc2[nH]1 586934767 ATKSXTCKKHHTDS-MRXNPFEDSA-N 393.900 3.056 0 1 GGAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(S)nc(S)nc2[nH]1 587080906 VENJZMKTYLTAPW-VIFPVBQESA-N 376.898 3.308 0 1 GGAF O=C(NCc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1cccc(C(F)(F)F)c1 587110704 AIPYGKORBPMPGI-UHFFFAOYSA-N 381.285 3.349 0 1 GGAF COC(=O)c1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144928 RNKBRONMOSCWII-ZDUSSCGKSA-N 392.228 3.494 0 1 GGAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587174162 FPAHDYHCZCUUHU-GOSISDBHSA-N 393.466 3.258 0 1 GGAF COC(=O)c1cccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 587197108 IWFUXOWFNCBGND-ZDUSSCGKSA-N 389.452 3.266 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)Cc1ccc(F)cc1 587569392 IMAFXSGTSUYYJZ-KNQAVFIVSA-N 380.371 3.467 0 1 GGAF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2NC(=O)CCC(=O)O)cc1 587638609 SWXITTYKMGGTFK-UHFFFAOYSA-N 382.372 3.345 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1c(Cl)cccc1N1CCOCC1)NCC2 962922662 FYJWAQYMPNBZCD-OAQYLSRUSA-N 399.922 3.114 0 1 GGAF Cc1ccccc1CN(C[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CC1 1857579950 GBGHSUWSHAYCMO-QFIPXVFZSA-N 398.457 3.417 0 1 GGAF Cc1cccc(C2=NN(C(=O)COc3ccccc3)[C@@](O)(C(F)(F)F)C2)c1 1857751857 AWQRXFYJXIFZGL-SFHVURJKSA-N 378.350 3.261 0 1 GGAF CO[C@@H]1Oc2cc(C)cc(O)c2C(=O)c2cccc(OCC=C(C)C(=O)O)c21 2356509495 RBJGUISHIUYGSQ-OAQYLSRUSA-N 384.384 3.379 0 1 GGAF COc1cc(CNC(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)cc(OC)c1 12453438 GUINPIRLNGQVGL-QGZVFWFLSA-N 388.508 3.281 0 3 GGAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4050163 JSRMNRTUYSQWLH-RQIDZSJNSA-N 394.471 3.207 0 1 GGAF CCOC(=O)CNC(=O)c1cnc(Nc2ccc(OC)cc2)c2ccccc12 4734268 CBHDRBJHGDCTBX-UHFFFAOYSA-N 379.416 3.280 0 1 GGAF CC(C)C[C@H]1CN(C(=O)c2cn(-c3ccccc3)cn2)[C@@H](CC(C)C)C(=O)N1 103264363 AXZLLMSSHGMGPX-PXNSSMCTSA-N 382.508 3.274 0 1 GGAF Cc1ccc(C)c(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)c1 22941480 GAZDGUQLDXYUCF-HXUWFJFHSA-N 377.532 3.399 0 1 GGAF CCCNC(=O)c1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCO3)on1 61902847 SZZRONLYFPOYHG-QGZVFWFLSA-N 383.448 3.117 0 3 GGAF CC1(C)CC(=O)C[C@@]1(C)C1=CC=C(C(=O)OCC[C@](C)(O)CC(=O)O)CC1 2356754693 JZUOBSDSXWOFCX-SFTDATJTSA-N 378.465 3.187 0 1 GGAF COc1ccccc1CNC(=O)[C@]1(C)CCN1C(=O)C1(c2ccccc2)CC1 61906947 DGSPPFDSDUBAMR-QFIPXVFZSA-N 378.472 3.034 0 3 GGAF COc1ccc(CCC(=O)Nc2c(O)n[nH]c2-c2ccc(N(C)C)cc2)cc1 72139518 YAUWCLGXKSYXME-UHFFFAOYSA-N 380.448 3.428 0 3 GGAF O=C([C@H]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1)N1C[C@H]2COC[C@H]2C1 1911583055 MYFCONVOQBKWQJ-RWMBFGLXSA-N 388.817 3.290 0 1 GGAF COc1cc(OC)cc(-c2nc(C(=O)NCCCN3CCCC3)cs2)c1 82086319 HZWAEDQTTMWEBC-UHFFFAOYSA-N 375.494 3.043 0 1 GGAF O=C(c1ccccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](Nc1ccc(Cl)cn1)C2 226061683 GZPNPFZMMODXQJ-LESCRADOSA-N 394.866 3.173 0 1 GGAF O=c1c(Cc2ccc3c(c2)OCO3)c(C(F)(F)F)[nH]n1Cc1cccc(O)c1 148097455 OTKMDVKDOJNFLC-UHFFFAOYSA-N 392.333 3.269 0 1 GGAF COc1ccc([C@H]2C[C@H](O)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 96908498 VZTGDNRRQPPAIT-UONOGXRCSA-N 376.405 3.287 0 1 GGAF CCCNC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)CC 95895416 YRDHNJKOBIPBLO-ONTIZHBOSA-N 399.535 3.028 0 1 GGAF COCC(C)(C)CN1CCC(NC(=O)c2nc(C(C)C)n3ccccc23)CC1 653783659 GIZMBBNMIPPKBE-UHFFFAOYSA-N 386.540 3.325 0 1 GGAF COCCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2cc(Cl)ccc21 653792951 RXXDTRJTDPNNES-UHFFFAOYSA-N 387.823 3.166 0 1 GGAF CC(C)(Br)C(=O)c1c(CO)oc2cc(Br)cnc12 587274712 ZPIPHQPPNZYFGY-UHFFFAOYSA-N 377.032 3.439 0 1 GGAF COC(=O)COc1c(C)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C 587438202 DAKHDZFBQUINEO-OPAMFIHVSA-N 382.412 3.353 0 1 GGAF O=C(Nc1ccccc1Cl)c1nc2ncc(I)cc2[nH]1 587060757 UDOPPIAQWLGSFM-UHFFFAOYSA-N 398.591 3.468 0 1 GGAF COC1=COC(CO)=C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357211 SYIBJGJMTKNROX-PZJWPPBQSA-N 384.359 3.023 0 1 GGAF Cc1cc(C)n(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587660672 IZSHVBINUIIZTC-UHFFFAOYSA-N 376.391 3.356 0 1 GGAF COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1C[S@](=O)CC(=O)O 587216502 CMCRYICEQIXLDB-MHZLTWQESA-N 381.453 3.342 0 1 GGAF O=C1C[C@@H](c2ccc(N(CCO)CCO)cc2)Oc2c1ccc1c2CCCC1 587504501 JSEQTPNBLDKDQA-QFIPXVFZSA-N 381.472 3.063 0 1 GGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 586938972 MCUPGIKVBMPPEY-VIFPVBQESA-N 399.398 3.116 0 1 GGAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 587773886 RWCADXQQLUPVJK-JDNHERCYSA-N 379.229 3.393 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(N)=O)N1 587749060 MSXSKWWPOVQOFF-YPMLDQLKSA-N 393.256 3.076 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc(O)cc1 587606356 DPQDUJGCDDGQAW-UTKZUKDTSA-N 378.336 3.040 0 1 GGAF CCOC(=O)C(F)(F)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1C 587381774 LMXHZJSSJVOOGE-LJQANCHMSA-N 392.402 3.451 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2nn[nH]n2)cc1 587592257 GDPWKVAIRXYCJP-PXNSSMCTSA-N 386.367 3.275 0 1 GGAF Cc1cc(C)c2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2c1 586947112 SQFRFRULTYCXBS-MRXNPFEDSA-N 385.489 3.304 0 1 GGAF COC(=O)/C=C/c1cccc(-c2ccc3c(=O)cc(N4CCOCC4)oc3c2)c1 13677144 JOCKTIKAUPDKBV-VMPITWQZSA-N 391.423 3.483 0 1 GGAF O=S(=O)(c1ccccc1)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@@H]21 13820219 DPEYJVOIIDVLEA-COPCDDAFSA-N 382.529 3.459 0 1 GGAF C[C@]12CC[C@@H]3[C@@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCOCC1 169714122 KHIHAGSEMMQNCV-XNPXOOOUSA-N 386.536 3.118 0 1 GGAF COc1ccc(CC(=O)n2nc(OCCN3CCCC3)c3ccccc32)cc1 1857569669 CMPZCYYEUVTKFE-UHFFFAOYSA-N 379.460 3.402 0 1 GGAF CCc1cc(-c2c(C)noc2C)cc(S(=O)(=O)c2cnc(CN)s2)c1 1857591190 ZQQDTYUSPBVYEL-UHFFFAOYSA-N 377.491 3.269 0 1 GGAF COC(=O)c1c(Nc2ccc(-c3ccccc3)cc2)c2nccnc2n(O)c1=O 1857632338 MWVCLWNQJQDACA-UHFFFAOYSA-N 388.383 3.226 0 1 GGAF O=C(/C=C/c1ccc(F)cc1)N1CCN(Cc2ccc(O)c3ncccc23)CC1 1857756291 OIZUTEUBFNTEBE-BJMVGYQFSA-N 391.446 3.437 0 1 GGAF COc1cc2c(cc1OC)[C@@H](C(=O)O)[C@H](c1cn(C)c3ccccc13)N(C)C2=O 8659919 GNMFGIQXFQNRBA-UXHICEINSA-N 394.427 3.191 0 1 GGAF COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCCC[C@@H]2O)cc1 103239887 GFXRQWDCYZXLOE-PMACEKPBSA-N 375.490 3.190 0 1 GGAF CCc1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)cc1 104041700 KPQRTIOVDWBQJW-MRXNPFEDSA-N 385.423 3.185 0 1 GGAF Cc1nc(-c2sc(Br)c(Br)c2OCC(=O)O)no1 28886986 FDGKBLYTDJQZQF-UHFFFAOYSA-N 398.032 3.095 0 1 GGAF COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@]1(O)C[C@H]1c2ccccc2N[C@H]1C3 28523032 IHRCRJPSYSWXEH-UFXYBZBOSA-N 392.499 3.002 0 1 GGAF CCCCC/C=C\C[C@H](O)[C@H](O)C/C=C\C/C=C\CCCC(=O)NCCO 34962007 WYSZRDPBSSHJLF-ZWKWGYOGSA-N 381.557 3.406 0 1 GGAF C[C@H](N)COc1cncc(-c2ccc3[nH]cc(-c4ccc(N)nc4F)c3c2)n1 73129819 KTGGJIUBPZRYOD-NSHDSACASA-N 378.411 3.134 0 1 GGAF CN(C)CCCCOC(=O)CNC(=O)c1csc(-c2ccc(Cl)cc2)n1 82084950 IZROVUDLIVAGDP-UHFFFAOYSA-N 395.912 3.078 0 1 GGAF CCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205963 AHDSEJLNTCULSR-HZPDHXFCSA-N 388.512 3.238 0 1 GGAF CCOC(=O)COC(=O)NCCC[C@@H](C)Nc1cc(OC)cc2cccnc12 82158232 YFRLSINAJMLJJJ-CQSZACIVSA-N 389.452 3.113 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(OC)c(O)c(OC)c1 587870980 WKRBSJJUOQXXME-UHFFFAOYSA-N 386.379 3.499 0 1 GGAF COC(=O)c1cccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c12 587259448 HKDHEIXDLGWRMS-INIZCTEOSA-N 396.447 3.056 0 1 GGAF CCOC(=O)C(=O)C[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792715 CGRCAFVMFSUSOG-BTDLBPIBSA-N 386.261 3.250 0 1 GGAF N[C@H](N=O)c1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 587111719 OKIKLPUYCNVJDN-OAHLLOKOSA-N 377.326 3.235 0 1 GGAF Nc1cc(-c2nc3ccc(I)cc3[nH]2)ccc1CC(=O)O 587250240 QVLQZUUKBIZETG-UHFFFAOYSA-N 393.184 3.044 0 1 GGAF CC[C@H](C)n1ncc(I)c1-c1nc2c(O)nccc2[nH]1 587180617 IJSUJKQCBLTFCI-ZETCQYMHSA-N 383.193 3.103 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1cc(F)ccc12 587735281 SYSNNYCKBMIGLC-DYBLOJMWSA-N 393.231 3.482 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1ncc[nH]1 587591185 UUAMGSUAKVQUGV-GCJKJVERSA-N 385.379 3.416 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc3nc(O)n(c23)CC[C@H]1N=O 587395893 VRRCAOLRVIPUMY-OXQOHEQNSA-N 378.388 3.032 0 1 GGAF CCOC(=O)CCOCCCOCCc1nc2c(Cl)c(Cl)cnc2[nH]1 587566797 YLUNTQDQPMOVJI-UHFFFAOYSA-N 390.267 3.184 0 1 GGAF COc1ccccc1C[C@H]1N2CCC(CC2)[C@]12NCCc1c2c(C(C)C)nn1C 962914224 DOFYEIYPSXHCBF-QPPBQGQZSA-N 394.563 3.230 0 1 GGAF O=C1Nc2cc3c(cc2[C@@]12c1c(F)cccc1C[C@@H]1CCCN12)OCCCO3 963102480 KHDWBQHWTKREAE-RCDICMHDSA-N 380.419 3.203 0 1 GGAF C[S@@](=O)c1c([S@](C)=O)[nH]c2cc(Br)cc(Br)c12 13449771 AWVBMHXHQPJBDF-DLBZAZTESA-N 399.129 3.168 0 1 GGAF biogenic COC[C@H](C)Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CCCC3)n1 13560994 ITOPOIHCBBHSIR-AWEZNQCLSA-N 397.454 3.154 0 1 GGAF O[C@H]1C[C@H](CN2CC[C@H](c3ccc(F)cc3Cl)[C@@H](O)C2)Cc2cccnc21 13983219 JWRFFRGIXWVGLV-PTLICHBZSA-N 390.886 3.320 0 1 GGAF CCOC(=O)[C@@](NCc1ccc(F)cc1)(NC(=O)c1ccccc1)C(F)(F)F 19943465 BVMQRGWSPWXESZ-GOSISDBHSA-N 398.356 3.167 0 3 GGAF aggregator CCN1Cc2c(ccc(Nc3ncc(C(F)(F)F)c(NC)n3)c2OC)C1=O 169704574 ZONZCYNPXUSQCJ-UHFFFAOYSA-N 381.358 3.265 0 1 GGAF CC(=O)c1cccc([C@@H]2CS(=O)(=O)Oc3c2c(C)nn3-c2ccccc2)c1 1857611190 QIYYYAUEUOWCFY-SFHVURJKSA-N 382.441 3.237 0 1 GGAF C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O 103231589 XLNBYRSHUJNFNF-DVOMOZLQSA-N 391.899 3.064 0 3 GGAF CC(=O)c1cc(CN2CCC[C@@H]2c2ccc(C(=O)NCCO)s2)cs1 20119205 BLWFJVAVRBHVJU-CQSZACIVSA-N 378.519 3.071 0 1 GGAF CN1CCN(c2ccc(-c3cnc4[nH]c5cnc(C(=O)O)cc5c4c3)cc2)CC1 116147183 AVGXCPYDUVBUKP-UHFFFAOYSA-N 387.443 3.228 0 1 GGAF in-vitro COC(=O)[C@@H]1CC(=O)N(c2cccc(OCc3nc4ccccc4s3)c2)C1 27318592 VGXUJYGWPFXFQH-CYBMUJFWSA-N 382.441 3.401 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@@]2(C)[C@H]3C[C@@H](O)[C@@H]2C(C)=O)C1 2356640961 XAKNMTJKMPVPIR-SFWSNAIPSA-N 392.536 3.108 0 1 GGAF CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3cccs3)C2)cc1 28475206 VKYNYXPOEOHVPQ-SFHVURJKSA-N 387.549 3.083 0 1 GGAF COC1=C[C@]2(Oc3ccc(-c4ccccc4OC)cc3C2=O)C(OC)=C[C@H]1O 73166571 OZSBCCYIWLJSNE-ZHRRBRCNSA-N 380.396 3.111 0 1 GGAF CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCc1ccccc1N 82082097 CKHJBDISHFNQDC-KRWDZBQOSA-N 398.488 3.056 0 1 GGAF CC(C)CNc1ncnc2c1nc(-c1cccnc1)n2CC[C@H]1CCCN1C 82177928 KXCYTEVYKXBKIE-QGZVFWFLSA-N 379.512 3.441 0 1 GGAF COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5cccc(OC)c45)[C@H]3C[C@@H]12 238775400 QXSGZNGSUBCBAZ-KDQZPGIASA-N 382.460 3.187 0 1 GGAF CCN(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(=O)c1cccnc1 95895780 OBYQZMKDECEVCN-RJGXRXQPSA-N 391.515 3.228 0 1 GGAF O=C(Cc1ccc(O)cc1)OCCOC1=C(c2ccc(Cl)cc2)C(=O)OC1 96914301 ITRTTZMPSFXLQR-UHFFFAOYSA-N 388.803 3.116 0 1 GGAF COc1cc(C(=O)c2ncc(-c3ccc(N(C)C)cc3)[nH]2)cc(OC)c1OC 95582462 KQXUMYSVSBREPO-UHFFFAOYSA-N 381.432 3.400 0 1 GGAF COc1c([C@H](O)CC(C)(C)O)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 31168376 VEFXEQGGTGFPCA-OAHLLOKOSA-N 388.416 3.366 0 1 GGAF biogenic Cn1nccc1CS(=O)(=O)Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 586921432 ICAUSVNYIMPAQB-UHFFFAOYSA-N 390.412 3.023 0 1 GGAF CSc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=N)[nH]1 587843476 ILBRCCYQWNMCBK-WPPNPWJKSA-N 383.290 3.136 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(N4CCN(C)CC4)c1)[C@@H](C2)C3=O 587424875 WTFYWIBQAXSYKO-KSFYIVLOSA-N 382.435 3.075 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccccc1)CC2=O 587480743 PERLDCFGESYGKR-JOCHJYFZSA-N 382.412 3.338 0 1 GGAF CCS(=O)(=O)c1cccc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 586923023 WDIUSAHMODLZLY-UHFFFAOYSA-N 384.436 3.272 0 1 GGAF Cc1cc(-c2cc3c4c(cccc4n2)CC3)c2nc(N3CCOCC3)cc(=O)n2c1 587211748 KYSFISKSFXQINR-UHFFFAOYSA-N 398.466 3.153 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1[C@H]3C[C@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@H]3[C@H]12 587818387 RDBXCEGEOKWHMZ-ZXUBVFOSSA-N 388.280 3.275 0 1 GGAF CCOC(=O)COc1ccccc1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439110 JMAFKUFJLUUISV-OPAMFIHVSA-N 382.412 3.300 0 1 GGAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 586914262 AISLGFRRSPUXDG-UHFFFAOYSA-N 398.382 3.307 0 1 GGAF CCOC(=O)[C@H](CC(C)=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598410 UOTJHSRREAKUFW-QXATTWAWSA-N 398.411 3.271 0 1 GGAF CCOC(=O)CCOCCCOCCc1nc2c(Cl)cnc(Cl)c2[nH]1 587566855 YZXCFUQVYBXZTB-UHFFFAOYSA-N 390.267 3.184 0 1 GGAF CCN1N=C(C(=O)O)[C@@]2(c3ccccc31)c1c(F)cccc1C[C@@H]1CCCN12 963104156 HGMLCEMHQNNBAP-OYHNWAKOSA-N 379.435 3.370 0 1 GGAF COc1cc2[nH]c([S@@](=O)Cc3nccc(OC)c3C)nc2cc1OC(F)F 13452131 KAUGJJICAPARHM-HHHXNRCGSA-N 397.403 3.193 0 1 GGAF CCc1cnc(N2CCC([C@@H](C)CCNc3cc4c(cn3)C(=O)CO4)CC2)nc1 207694350 ITVGYKCGBLZFME-HNNXBMFYSA-N 395.507 3.364 0 1 GGAF CN(C)C1=N[C@H](c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)NC(=N)N1 1857542081 BAHARGZVFNHSTG-GOSISDBHSA-N 393.882 3.236 0 1 GGAF COc1cc(F)c(Nc2nccc(-c3c(F)cccc3OC)n2)cc1C(N)=O 1857640516 HHCOUYYRWHXUAC-UHFFFAOYSA-N 386.358 3.282 0 1 GGAF CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)n2c1nc1c(O)cccc1c2=O 2356427641 IHICXZWKNHGSOP-FDQGKXFDSA-N 377.444 3.103 0 1 GGAF COc1ccc(-n2nc(C(=O)Nc3cccc(C)n3)c3ccccc3c2=O)cc1 2943129 ROIPHQXEEJMYNJ-UHFFFAOYSA-N 386.411 3.350 0 1 GGAF CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4206530 FXGUTGXNRGUPSS-IEBWSBKVSA-N 389.883 3.483 0 1 GGAF COc1ccc(OC)c(CN(CCCCN)Cc2cc(OC)ccc2OC)c1 27709822 QLOQTJHJGPZQHV-UHFFFAOYSA-N 388.508 3.462 0 1 GGAF CN(C)Cc1ccn2c(-c3ccnc(NC=O)n3)c(-c3ccc(F)cc3)nc2c1 28963773 LUAXVQZMAPQUCD-UHFFFAOYSA-N 390.422 3.227 0 1 GGAF Cc1ccc2nc3n(c(=O)c2c1)-c1ccccc1C(=O)N[C@@H]3Cc1ccc(O)cc1 61949275 IJEQERGEIARMSA-HXUWFJFHSA-N 397.434 3.427 0 3 GGAF COc1ccc2c(c1)c(-c1ccc(=O)n(CC(F)(F)F)c1)c(C)n2CC(=O)O 117015307 CYZWSJHTRLXGDD-UHFFFAOYSA-N 394.349 3.434 0 1 GGAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@H]12)CN(CC(=O)O)C3=O 2356558614 GIIJGUFCRPQJIF-OZTQZWFPSA-N 389.492 3.317 0 1 GGAF CC(=O)OC[C@@H]1C[C@H](O)[C@]2(C)C(CO)=CCC[C@H]2[C@@]1(C)CCC(C)=CC(=O)O 2356659489 FZSGZQGDNASVKA-YOWRRBNZSA-N 394.508 3.083 0 1 GGAF CC[C@]12CCCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(OC)c(O)cc14)[C@H]32 2356687006 ZURZSBHWLYFFBR-FSSWDIPSSA-N 384.476 3.159 0 1 GGAF NC1=N[C@H](c2ccccc2)NC(NCCCCCOc2ccc(Cl)cc2)=N1 71295506 GFYBORRCSDFLKC-SFHVURJKSA-N 385.899 3.451 0 1 GGAF C/C=C(\C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(C)=O 70455092 FFCDTHIJWHJUQJ-HWCZVSPCSA-N 386.400 3.446 0 1 GGAF biogenic,in-vitro O=C(c1ccc(F)c(Cl)c1Cl)N1CCc2c(nnn2-c2ccccn2)C1 226005417 GLVAEEYYPXFCQT-UHFFFAOYSA-N 392.221 3.307 0 1 GGAF O=C(Nc1ccnc(NC(=O)[C@@H]2C[C@@H]2C(=O)O)c1)c1c(Cl)cccc1Cl 96929464 ZQESTSKYTMDTFO-ZJUUUORDSA-N 394.214 3.300 0 1 GGAF COC(=O)c1cc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2cc1OC 587040594 IFROGEKBPLFAEN-SJLPKXTDSA-N 383.473 3.304 0 1 GGAF NC(=O)c1cccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c12 587259195 YOWBWJLMNJNAOC-KRWDZBQOSA-N 387.443 3.234 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccnc(OC)c3[nH]2)cc1 587041049 URAATTMYAGSOGY-HNNXBMFYSA-N 384.461 3.253 0 1 GGAF COC(=O)Cn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587432188 UUTXZZHKTOESQW-IVZQSRNASA-N 377.396 3.312 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCCO 587596804 PEGVMXSPYKAOPZ-DENIHFKCSA-N 378.380 3.466 0 1 GGAF CCCCS(=O)(=O)N[C@H](c1nc2ccnc(Br)c2[nH]1)C(C)C 586933803 YAEWSPLJIHYYRN-NSHDSACASA-N 389.319 3.137 0 1 GGAF C[C@@H](F)[C@H](N)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587122299 CRGAMZYBZMJJKI-PSLIRLAXSA-N 382.848 3.375 0 1 GGAF O=C1CSC[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)N1 587042767 GFYRHRZWJMHZMR-SECBINFHSA-N 380.189 3.248 0 1 GGAF COc1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cn1 586937818 NOOSPRHDTTYMNK-INIZCTEOSA-N 394.884 3.296 0 1 GGAF COC(=O)Cn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577027 LNCIDODEYXWPPP-NQIIRXRSSA-N 379.368 3.070 0 1 GGAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(F)c2[nH]1 586936477 NIDYDQIKXCGPSJ-OAHLLOKOSA-N 379.482 3.475 0 1 GGAF Cc1cc(Br)ccc1OCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 586981860 VUHGSGKVHXYCNA-UHFFFAOYSA-N 397.250 3.460 0 1 GGAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(S)nc(S)nc3[nH]2)cc1 587244363 GUJWNIGQORBESS-UHFFFAOYSA-N 398.473 3.070 0 1 GGAF C[C@H](C(=O)O)n1cc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c2ccccc21 962927269 PQJCYGBDYLNVMN-SPLOXXLWSA-N 391.471 3.224 0 1 GGAF Cn1c([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)nc2ccc(Cl)cc21 963224450 CJFAEPFUHTZTIH-HKUYNNGSSA-N 392.846 3.463 0 1 GGAF O=C1CC[C@H]([C@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(Cl)cc2)O1 13558354 MICLUOMNTGUCJU-IEBWSBKVSA-N 391.876 3.334 0 1 GGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](Cc4ccccc4)C[C@H]4[C@H](C2)N(C)CC[C@]314 169368286 JKQIXBQTODIBRA-YCFGBBTASA-N 389.495 3.402 0 1 GGAF COc1ccc2c3c1O[C@@H]1C(=O)C[C@H](c4ccccc4)[C@@H]4[C@@H](C2)N(C)CC[C@@]314 169369217 QXZJMGDZMLKVKQ-FNBSNNRESA-N 375.468 3.327 0 1 GGAF O=c1[nH]c(Cc2ccccc2-c2ccco2)nc2c1cnn2C1CCOCC1 169699889 IFLKCBJJGCYSET-UHFFFAOYSA-N 376.416 3.322 0 1 GGAF OC12C[C@@H]3C[C@@H](C1)CC(Nc1nc(N[C@H]4CC[C@H](O)CC4)ncc1Cl)(C3)C2 101143612 CPNVJHSWNCPSIP-CNJAWSQJSA-N 392.931 3.341 0 1 GGAF COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)OCO2 1379622 FZAUMTPNFBRMFY-HNNXBMFYSA-N 383.404 3.059 0 3 GGAF O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl 4310382 SMFPZNYICPEUBM-NVXWUHKLSA-N 397.233 3.333 0 1 GGAF COC(=O)[C@@H]1[C@@H](c2ccc(/C=C\I)cc2)C[C@H]2CC[C@H]1N2 100987915 GZWPHROGQGOESZ-SQRFFALQSA-N 397.256 3.489 0 1 GGAF Cc1ccc([C@@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nnc(C)s2)cc1 110734583 XYXQFIDWDSKQHJ-HUUCEWRRSA-N 397.481 3.373 0 1 GGAF COc1c(NC(=O)N(C)C)c(OCCN2CCCCC2)c(OC)c2occc12 29404725 ACGSMTAXGHZZAM-UHFFFAOYSA-N 391.468 3.408 0 1 GGAF CCOC[C@@H]1C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@@H]2C)[C@]31CC=CN(C(=N)NC)C1 2356741291 ZUZIRKLITHSRDD-YWKPNGTOSA-N 387.524 3.220 0 1 GGAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@@]43C)[C@H]1CCC2=O 26186259 HMABERXDSMXWFO-XSUYJZTMSA-N 390.549 3.217 0 1 GGAF Cc1nn(-c2ccccn2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)COc2ccccc2)C1 8624181 PDRBBGQBBISWKF-RTBURBONSA-N 388.471 3.491 0 1 GGAF biogenic COc1ccc(CC[C@H](C)NC[C@@H](O)c2ccc(C)c([S@@](C)=O)c2)cc1 39316238 QDPVFSGOTRXMLH-FTVBGQFJSA-N 375.534 3.385 0 1 GGAF Cc1[nH]ncc1Nc1ncc(Cl)c(CCc2ccccc2C2(C(N)=O)CC2)n1 211099092 NSNISTVSHKRGGN-UHFFFAOYSA-N 396.882 3.207 0 1 GGAF Cc1ccc(C(N)=O)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O 43200946 QASNDHGPPPPIOC-UHFFFAOYSA-N 394.381 3.077 0 1 GGAF CC[C@@H]1N=C(N)N=C(N)N1OCCCOc1c(Cl)cc(Cl)cc1Cl 45228714 QMSGBUVQUASYBZ-LLVKDONJSA-N 394.690 3.028 0 1 GGAF COC[C@H]1[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2C[C@H]1COC)OCO3 14435195 XNZRAIUXPDCEOA-JIGPKXGUSA-N 384.428 3.357 0 1 GGAF biogenic C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccccc3)n2)C1 82132658 BAHOWVSSJFYVAK-CALCHBBNSA-N 380.492 3.098 0 1 GGAF COc1cccc(CCN2C=CC=C3C2=Nc2ccccc2OS3(=O)=O)c1 40860837 XTDMEORCAGJIHO-UHFFFAOYSA-N 382.441 3.403 0 1 GGAF COc1cc(C(C)C)c2c(=O)oc(-c3cccnc3N3CCN(C)CC3)nc2c1 43071570 ANHCGSOKACUTKJ-UHFFFAOYSA-N 394.475 3.134 0 1 GGAF Fc1cc(O[C@H]2CCNC[C@@H]2F)c2nc(-c3nnc4ccccn34)ccc2c1 96175065 KXDUVJWVGXIEPX-HOCLYGCPSA-N 381.386 3.162 0 1 GGAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccc(F)cc1)[C@@H](N)CC2 142789821 BZRWQTBKAWCEII-SFTDATJTSA-N 390.524 3.255 0 1 GGAF COc1ccc(Nc2nc3c(NCc4ccccc4OC)cccn3n2)cn1 96169902 JLHXPFIINGUGHE-UHFFFAOYSA-N 376.420 3.497 0 1 GGAF COc1cc(OC)c2c(=O)cc(N3CCN(CCc4ccccc4)CC3)oc2c1 653813180 OHLPEDRWIREBEI-UHFFFAOYSA-N 394.471 3.175 0 1 GGAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc4c(cc3[nH]2)OCO4)cc1 587243990 FSJGLTVQVBGZCZ-UHFFFAOYSA-N 376.372 3.431 0 1 GGAF O=C(O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 587607030 GRSFRWDCNNRHFV-YLJYHZDGSA-N 378.336 3.499 0 1 GGAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 586958555 JKWXHPCUXWRBRA-HNNXBMFYSA-N 386.260 3.339 0 1 GGAF CC(C)(C)[C@@]1(CS(C)(=O)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610277 XGLZKBOASNLUGE-JXFKEZNVSA-N 390.457 3.183 0 1 GGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)N=c1nc(C)o[nH]1 587860587 YHYKXMMDJNTQHO-UHFFFAOYSA-N 382.207 3.449 0 1 GGAF COc1cncc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 586999823 DHOIAZJIYZYLIK-LBPRGKRZSA-N 386.253 3.453 0 1 GGAF CN(Cc1nc2cc(Cl)c(Cl)nc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169635 FLWVVOUXYMISQO-UHFFFAOYSA-N 389.239 3.225 0 1 GGAF COCCN1C(=O)C[C@]2(C=C1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587755531 ATYGDOMAPSJBIY-VOJFVSQTSA-N 397.288 3.100 0 1 GGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(OC)c(C)cc3[nH]2)cc1 587229053 ZNEJOHIDNQILEY-UHFFFAOYSA-N 382.420 3.378 0 1 GGAF COC(=O)c1cc(C=O)n2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cccc12 587394513 WTLVDLHRYJZOSJ-LJQANCHMSA-N 378.384 3.136 0 1 GGAF CCn1c(=O)c2c3c(sc2n(CC(=O)c2ccc(F)cc2)c1=O)CCCC3 957653432 JNLIAGIPXCHFLK-UHFFFAOYSA-N 386.448 3.145 0 1 GGAF Cc1c(O)ccc2c1[C@@](C)(C[C@H](CC(=O)O)c1ccccc1)N[C@H](C(=O)O)C2 963557975 ZBBCHOQYNVVMQQ-PNLZDCPESA-N 383.444 3.163 0 1 GGAF CC(C)(C)OC(=O)N[C@H]1COc2ccccc2[C@]12NCCc1ccc(O)cc12 963354361 WTSRNXRYPYTYLQ-SIKLNZKXSA-N 382.460 3.067 0 1 GGAF O=C(O)[C@H](Cc1ccccc1)N[C@H](C(=O)NC1CCCCC1)c1ccccc1 1772611903 BGIZLVCSVIXABJ-SFTDATJTSA-N 380.488 3.462 0 1 GGAF NC(=O)c1c(F)ccc(OC[C@H]2COc3ccc(C(F)(F)F)cc3O2)c1F 1772593124 LIXJEDYBEBTEJV-SECBINFHSA-N 389.276 3.301 0 1 GGAF COCCc1ncc(CN2CC[C@]3(CCCN(Cc4ccc(F)cc4)C3)C2)cn1 12459263 YLZXNPZIWPYJKY-QHCPKHFHSA-N 398.526 3.293 0 1 GGAF COc1cccc2c1c(C1=C(c3cn(C)c4ccccc34)C(=O)NC1=O)cn2C 13447806 GZZFTWKZCLFRBO-UHFFFAOYSA-N 385.423 3.246 0 1 GGAF COc1ccnc(C[S@](=O)c2nc3cc(F)c(OC(F)F)cc3[nH]2)c1C 13452148 VKTGZKAOPIGEGV-AREMUKBSSA-N 385.367 3.323 0 1 GGAF O=C(NC1CCN(Cc2ccoc2)CC1)[C@](O)(c1ccccc1)C1CCCC1 13835830 YKIZAJAMUKDIOU-QHCPKHFHSA-N 382.504 3.438 0 1 GGAF CCCOc1c(OC)cc(C(=O)NCC2(N(C)C)CCCCC2)cc1OC 13863596 KIANTOAKHBYHSP-UHFFFAOYSA-N 378.513 3.487 0 1 GGAF C[C@H](Cc1ccccc1)N1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 169341410 HVAYCZHHBZEKLI-MEFUZGKTSA-N 389.495 3.200 0 1 GGAF COc1cnc2c(c1)CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 169711656 HLTOBLLFSBKTLE-UHFFFAOYSA-N 390.422 3.205 0 1 GGAF CC(=O)N1CCC[C@H](Nc2nc(C)ccc2-c2cnc3[nH]cc(Cl)c3n2)C1 168485854 JXUVCKRLKKIQLV-ZDUSSCGKSA-N 384.871 3.405 0 1 GGAF COc1cc(C(=O)c2cnn(-c3cc(C)ccc3C)c2N)cc(OC)c1OC 1857654252 FLUPTOQAZOZAHE-UHFFFAOYSA-N 381.432 3.328 0 1 GGAF Brc1cccc(-c2nnc3sc(CNC[C@@H]4CCCO4)cn23)c1 2467037 WFAQGRURZDAIQA-ZDUSSCGKSA-N 393.310 3.489 0 1 GGAF Cc1ccc(OCCSc2nc3c([nH]2)c(N)nc[n+]3Cc2ccccc2)cc1 6694331 NVTXTFLFJFPCBL-UHFFFAOYSA-O 392.508 3.355 0 1 GGAF C[C@@H](O)CNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1Cl 28644802 WMNUVNPAQCTKBM-CYBMUJFWSA-N 394.866 3.383 0 1 GGAF COc1cccc(N2CCN(CCC(=O)Nc3ccc(F)cc3F)CC2)c1 28647120 KZFDPAVQUPZYMR-UHFFFAOYSA-N 375.419 3.124 0 1 GGAF CCc1c(C)sc2nc(SCCO)n(-c3ccc4c(c3)OCO4)c(=O)c12 28949383 LVHBJSHDDVFUPH-UHFFFAOYSA-N 390.486 3.131 0 1 GGAF CC[C@H](C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncncc23)c1F 113486941 CTWASYGJJOSPKW-VIFPVBQESA-N 394.403 3.007 0 1 GGAF O=C(O)COc1cccc2cc(CCNC[C@H](O)c3cccc(Cl)c3)[nH]c12 26148027 FJVFQKSJMNBLOK-KRWDZBQOSA-N 388.851 3.150 0 1 GGAF CCOC(=O)C1=CC[C@@H](c2ccco2)N(S(=O)(=O)c2ccc(C)cc2)C1 34131703 FMEZLWPBHJTFJU-KRWDZBQOSA-N 375.446 3.213 0 3 GGAF CC(C)(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224702325 SHOLXKNWIQWSSX-UHFFFAOYSA-N 386.452 3.499 0 1 GGAF O=C1[C@H]2CS[C@]3(C(=O)Nc4ccccc43)N2C(=O)N1Cc1ccc(Cl)cc1 96909011 POVQHLNFAUGINO-DNVCBOLYSA-N 399.859 3.025 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H]1OC1CN(C(=O)OC(C)(C)C)C1)O2 587397355 ZYEDPIOKQZKFPZ-LAUBAEHRSA-N 388.464 3.080 0 1 GGAF N[C@@H](Cc1ccccc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660155 OGELINHBGAVWRI-FQEVSTJZSA-N 387.414 3.413 0 1 GGAF COC(=O)[C@@H]1CSCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587858616 SCZNMKNIVKBBIO-HCYDYPBKSA-N 388.302 3.244 0 1 GGAF COc1cc(Br)c([C@@H](N)c2nc3cc(C)cnc3[nH]2)cc1OC 586976523 VQGDTDGNSNFMGF-CQSZACIVSA-N 377.242 3.094 0 1 GGAF COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587800071 ZVVZXQWJRJNQLT-DYBLOJMWSA-N 391.240 3.327 0 1 GGAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c[nH]c(C(=O)O)c1)[C@@H](C2)C3=O 587437697 JFWLDSSUEZPARA-KSFYIVLOSA-N 375.380 3.413 0 1 GGAF O=S(=O)(c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)N1CCOCC1 587216800 MUKQMYGHFGUVBL-UHFFFAOYSA-N 380.469 3.021 0 1 GGAF O=C(O)c1cc([C@]2(C3CCCCC3)N[C@H](C(=O)O)Cc3cc(F)ccc32)c[nH]1 962896333 CCSQKGHDELQNID-RXVVDRJESA-N 386.423 3.275 0 1 GGAF Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCN(C(=O)c3cc(C(C)C)n(C)n3)C2)n1 1772578220 FMVJJSPKBXQSEI-MRXNPFEDSA-N 392.507 3.277 0 1 GGAF CS(=O)(=O)c1ccc(-c2cc3c(cc2C(=O)N2CCCCC2)OCO3)cc1 13530495 LZCLGHKTDIAXLH-UHFFFAOYSA-N 387.457 3.112 0 1 GGAF Cc1csc2c1c(=O)n(CCc1cccnc1)c(=O)n2CCC(F)(F)F 1857620372 MDBTWNXPDIIYLG-UHFFFAOYSA-N 383.395 3.123 0 1 GGAF COC(=O)c1c(NC(=O)[C@@H]2CSC(c3ccncc3)=N2)sc(C)c1C 3030740 UIRPKONCPZJVFT-LBPRGKRZSA-N 375.475 3.047 0 1 GGAF Cn1cccc1C(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(F)c3)C2)C1 3956344 IEHHAAVPHUMZBA-OAQYLSRUSA-N 384.455 3.324 0 1 GGAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCOC)cc1 4049652 GDRUDZNISDIOTM-FPOVZHCZSA-N 382.460 3.330 0 1 GGAF CCCn1c(-c2ccc(F)cc2)nc2c(N3CC[C@H](N(C)C)C3)nc(C)nc21 7991795 QUDPCPXEKIQZTR-KRWDZBQOSA-N 382.487 3.491 0 1 GGAF COc1cncc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)c1 13812828 OGFKQCWFODPUOX-UHFFFAOYSA-N 397.378 3.365 0 1 GGAF COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@H]1[C@H](O)C(C)(C)O[C@H]1O2 14610763 LWPLUSZMJGIFAR-SESVDKBCSA-N 380.396 3.440 0 1 GGAF biogenic Cc1c(C(=O)NC2CCCCCC2)sc2ncnc(N3CCN(C)CC3)c12 21023927 XDCIYHMQQLGDOZ-UHFFFAOYSA-N 387.553 3.204 0 1 GGAF C[C@H]1c2cc(OCCCC(=O)N(C)C3CCCCC3)ccc2NC2=NC(=O)CN21 26850458 UJUZJSOMBBIXMJ-HNNXBMFYSA-N 398.507 3.321 0 1 GGAF CCc1nc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2c[nH]nc2n1 29462815 LJJATDSOUGMCJE-UHFFFAOYSA-N 397.446 3.375 0 1 GGAF CCC/C=C/c1ccccc1-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1 40829518 JEIRBGPVICOVFQ-MWUKHTTLSA-N 396.443 3.111 0 1 GGAF C/N=c1\[nH]c2cnc(Nc3cccc(OC(F)(F)F)c3)cc2n1CCOC 82082903 KUJKMQBRWMNXBV-UHFFFAOYSA-N 381.358 3.184 0 1 GGAF C[C@H]1CCc2sc(NC(=O)CN3CCN(c4ccc(F)cc4)CC3)nc2C1 96258519 YNBHDUGLDPPPOG-AWEZNQCLSA-N 388.512 3.168 0 1 GGAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@@H]1c1cccc(-n2ccnc2)c1 169714450 CAUXGPSIQSZXEE-HKUYNNGSSA-N 381.432 3.057 0 1 GGAF Nc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCC(F)(F)C5)n4)c3c2)o1 203731745 WAGFUTAXHIKUFA-UHFFFAOYSA-N 383.362 3.103 0 1 GGAF COC(=O)c1coc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 224581973 VCAKOPVVZFOWBL-UHFFFAOYSA-N 398.394 3.486 0 1 GGAF COc1ccc2c3c1O[C@@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 254130904 HPRLAWOHFRYBFS-LZQXYRQZSA-N 388.467 3.095 0 1 GGAF Nc1nccn2c1c(-c1ccc(C(=O)c3ccccc3)cc1)nc2[C@H]1C[C@@H](O)C1 261185123 XERSJNVPLLREMY-HDICACEKSA-N 384.439 3.448 0 1 GGAF CCOC(=O)[C@@H](C)c1nc(-c2ccc(N(CC)S(C)(=O)=O)cc2)cs1 507040665 UTGLLVACNRPFKV-LBPRGKRZSA-N 382.507 3.263 0 1 GGAF NC(=O)c1cccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587018732 MVNOJIFJJIVAOX-UHFFFAOYSA-N 392.440 3.147 0 1 GGAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)cc2N1 587126154 WFVZYKQHRQEDGK-SDBXPKJASA-N 399.398 3.137 0 1 GGAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(F)c(F)cc2[nH]1 587204358 WZMWVUKQQBPZTP-HNNXBMFYSA-N 375.331 3.283 0 1 GGAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(N)ccnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239823 OPRGMUTUBPMZNY-FYYVMTAXSA-N 387.484 3.095 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C(=O)O)n2)N1 587775063 YNJJMHQBTPWGCN-XLFHBGCDSA-N 379.229 3.479 0 1 GGAF O=C1C[C@]2(N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c2cc(Cl)ccc2O1 963228610 ICCCIJZRBIMLBV-UTKZUKDTSA-N 394.814 3.040 0 1 GGAF Cn1c([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cnc1-c1ccccc1 963240284 YZZCHGGPKLGGFE-TZIWHRDSSA-N 384.439 3.324 0 1 GGAF COc1ccc2nc(C)cc(OCC(=O)NCCc3ccc4c(c3)OCO4)c2c1 1857753655 MAYBCBFNIBLUST-UHFFFAOYSA-N 394.427 3.018 0 1 GGAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4205212 GGCKCPKZADUGGX-WNYOCNMUSA-N 385.895 3.498 0 1 GGAF O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[S@@](=O)c2ccccc2)o1 6772066 XIEYXTJTHLHMFO-MHZLTWQESA-N 383.425 3.246 0 1 GGAF Cc1ccc2c(c1)-n1c(nc3ccccc3c1=O)[C@@H](Cc1ccc(O)cc1)NC2=O 61949250 QMYOCBQALHPKOV-HXUWFJFHSA-N 397.434 3.427 0 3 GGAF CCOC(=O)N1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 27858706 MIJPPTLQSWKNDA-HOTGVXAUSA-N 381.384 3.497 0 1 GGAF CCCCC(=O)N(CC(=O)O)Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 27079789 WXYMNFMZFLUCSS-UHFFFAOYSA-N 393.447 3.137 0 1 GGAF O=C(Nc1cc(Cl)ccc1O[C@H]1CC[C@@H](CO)C1)c1cnn2cccnc12 113650438 VVZAHEJDBWZSBS-OCCSQVGLSA-N 386.839 3.175 0 1 GGAF Cc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)P(=O)(O)O)cc2)cc1 28642133 CJTUBZULFXKTAT-QGZVFWFLSA-N 383.406 3.100 0 1 GGAF O=C(NCCCNC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2oc1=O 72115015 HUNNPBOPDZIPEZ-UHFFFAOYSA-N 380.488 3.471 0 1 GGAF C[C@@H](O)c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1 49109423 VIOPFQOZMDFRIZ-LLVKDONJSA-N 381.461 3.125 0 1 GGAF Fc1ccn2c(-c3ccc4cccc(O[C@H]5CCNC[C@@H]5F)c4n3)nnc2c1 96175024 GMEASXSIOIGYFE-HOCLYGCPSA-N 381.386 3.162 0 1 GGAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](O)c3cccc(O)c3)nc2c1 586889102 DZLXWIGUAKCPDV-HNNXBMFYSA-N 391.221 3.289 0 1 GGAF CCOC(=O)/C(=C/N(C)C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568215 BADMFXCZMRRTHR-GOHZLOLFSA-N 397.427 3.121 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3nn[nH]n3)c2)N1 587790579 DMKRRINNEBSOQI-ABKXIKBNSA-N 388.244 3.392 0 1 GGAF CCOc1cc2oc(=O)c(-c3nc4ncncc4[nH]3)cc2cc1Br 587000132 MQHIJBHOPRVSBW-UHFFFAOYSA-N 387.193 3.288 0 1 GGAF Cc1cc(-c2nc3cc(CCO)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587126569 ZNNWWCWJKCPMPZ-UHFFFAOYSA-N 399.394 3.335 0 1 GGAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccnc2[nH]1 586938017 TZSNMXYTBGIJMO-OAHLLOKOSA-N 390.534 3.347 0 1 GGAF CCOC(=O)Cc1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2c1 587228355 PGALRRZBMVXIHO-UHFFFAOYSA-N 381.432 3.137 0 1 GGAF CN(C)C(=O)c1ccc2nc(C(F)(Br)Br)[nH]c2c1 587086508 BQERVGHQEFIPHG-UHFFFAOYSA-N 379.027 3.134 0 1 GGAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4c(Cl)ccnc4[nH]3)n2)cc1 587114028 YQIKNJZQIUGOCD-UHFFFAOYSA-N 379.733 3.332 0 1 GGAF FC(F)(F)OCc1nc2c(I)cnc(Cl)c2[nH]1 587126172 WQTYVSIAFORVHY-UHFFFAOYSA-N 377.491 3.252 0 1 GGAF CCOC(=O)c1cc([C@]2(C)NCCc3c(C(=O)O)cccc32)ccc1OCC 963135173 XHKQGVYGZKURMB-QFIPXVFZSA-N 383.444 3.369 0 1 GGAF COc1cc(S(=O)(=O)/N=c2/[nH]c(-c3ccc(N)cc3)cs2)ccc1Cl 1660969 LZRDVOLZHYSDQR-UHFFFAOYSA-N 395.893 3.277 0 1 GGAF C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ncccc2F)C1=O 1857577791 JHDWAFRPXSZUKN-QGZVFWFLSA-N 383.467 3.050 0 1 GGAF O=C(NC1CC1)c1ccc(-c2cn3c(-c4ccc(CO)cc4)cnc3cn2)cc1 1857605328 SANTWEQWSRUPFJ-UHFFFAOYSA-N 384.439 3.448 0 1 GGAF Nc1nc(Cl)c(N)c(NC[C@]2(CO)CC[C@@H](CCc3ccccc3)C2)n1 1658377 IJKXANOLARVCFK-KUHUBIRLSA-N 375.904 3.118 0 1 GGAF O=C(O)c1cnc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)s1 29464430 DHDZXDAVHSBVAQ-UHFFFAOYSA-N 378.417 3.301 0 1 GGAF C[C@@H](O)C1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1 113652994 HXEIWJBTKNXMHO-CYBMUJFWSA-N 399.882 3.232 0 1 GGAF COc1cccc2c1CCC[C@H]2NC(=O)CN1CCN(C2CCCCC2)CC1 66075707 JWRYZMCPPMCZRQ-OAQYLSRUSA-N 385.552 3.139 0 1 GGAF CCCCCCC(=O)CCCCCCC=CCC[C@H](O)[C@](N)(CO)C(=O)O 2356587937 CYGFHEVFZXDUGH-PZJWPPBQSA-N 385.545 3.338 0 1 GGAF CC[C@@H]1CN(S(=O)(=O)c2ccccc2)CC[C@H]1CC(=O)NCc1ccco1 2356870972 XVTYLYBRBQRSJO-SJORKVTESA-N 390.505 3.023 0 1 GGAF CO[C@H]1c2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)OC(C)(C)[C@H]1O 13311966 QLZWONVOGYYLGJ-PMACEKPBSA-N 384.384 3.091 0 1 GGAF biogenic O=C(CCc1[nH]nc2c1CCc1cc(O)ccc1-2)Nc1ccccc1C(=O)O 35983159 ITJKTHPPSWVYSJ-UHFFFAOYSA-N 377.400 3.150 0 1 GGAF C[C@H](Nc1cc2c([C@@H]3CCCN(CCC(N)=O)C3)noc2cn1)c1ccccc1 40423843 ZOIMQOAMAULHEL-DOTOQJQBSA-N 393.491 3.451 0 1 GGAF O=C(O)[C@H]1CCN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 143488517 JKJOCKUIDIZEAJ-BUXKBTBVSA-N 391.345 3.012 0 1 GGAF CCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3cccc(Cl)c3)C[C@@H]21 95894123 QPNBZJWQHUKIQO-CMKODMSKSA-N 399.878 3.457 0 1 GGAF COc1ccc(C(=O)Nc2ncccn2)cc1Nc1nccc(-c2cccnc2)n1 96258664 USIPMCNVJIUSIH-UHFFFAOYSA-N 399.414 3.333 0 1 GGAF O=C1[C@@H]2ON3c4ccccc4C(=O)[C@]3(c3ccccc3)[C@H]2C(=O)N1c1ccccc1 254145396 MFGKNCXXMLCDSY-REHUZNOOSA-N 396.402 3.088 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CCOC(C)(C)C4)ncc23)ccn1 261187955 YCGBTOKQGKYGLJ-AWEZNQCLSA-N 380.452 3.407 0 1 GGAF O=C1CO[C@@]2(CCCN(C(=O)c3ccc(F)cc3)CC2)CN1Cc1ccccc1 618016915 JGVALOXDDZKIJQ-HSZRJFAPSA-N 396.462 3.250 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1COC[C@H]2CC(C(=O)O)C1 587836381 UAJQNSPGRJQKBD-CLLFDNKLSA-N 398.272 3.075 0 1 GGAF CNS(=O)(=O)c1cc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)n(C)c1 586947505 PVPOCWDAUJRLEH-UHFFFAOYSA-N 392.790 3.149 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CCCN(C(C)=O)C1 587863506 MAYXGUPTGIEBEJ-ZDUSSCGKSA-N 395.381 3.476 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@@H](C2)C3=O 587443377 PWXROXWFIAIISD-BTYIYWSLSA-N 382.368 3.035 0 1 GGAF COc1cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1OC 587039416 XOOFGAINEKAVMM-SNVBAGLBSA-N 399.476 3.328 0 1 GGAF COCCN1C(=O)C[C@]2(C=C1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587761788 WDEOUBKNCRXJSC-ZMZPIMSZSA-N 397.288 3.100 0 1 GGAF CCOC(=O)Cn1nc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1Cl 587378818 DSTJKFIGNBSZRK-AWEZNQCLSA-N 377.828 3.005 0 1 GGAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ncccc32)[C@@H]1c1ccc(F)cc1 587350801 SHYFBZZBNIBFPX-DYESRHJHSA-N 376.343 3.133 0 1 GGAF Cc1ccc(-c2cc3c(N[C@@H]4CC[C@](C)(N)C4(C)C)c(C(N)=O)cnn3c2)cn1 1772634228 YLPRMWFQNIEVDO-GCJKJVERSA-N 392.507 3.122 0 1 GGAF COc1cc(C(N)=O)ccc1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772637741 ACWCDSZUCSQWPX-INIZCTEOSA-N 384.363 3.195 0 1 GGAF CC(=O)N[C@H](C(=O)O[C@H]1CCC(C)(C)[C@@H]2CCC3=C(COC3=O)[C@@]12C)C(C)C 14683782 NEMKJBVVPNFVCU-VDNWNZSNSA-N 391.508 3.149 0 1 GGAF COC(=O)C1=C(C)N2CCS[C@@]2(C)[C@@H](C(=O)OC)[C@H]1c1cccc(Cl)c1 17220873 HTOPLRWJQODIPS-FCEWJHQRSA-N 395.908 3.438 0 1 GGAF O=S(=O)(c1ccc(F)cc1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 205211861 XNAIXMNDYUNKAB-DOMZBBRYSA-N 398.818 3.042 0 3 GGAF O=C1NC(=O)[C@@H](Cc2ccc(OC[C@@H]3CCCN3c3ccccn3)cc2)S1 26573672 VQPXYUBGRJSSPJ-DOTOQJQBSA-N 383.473 3.024 0 1 GGAF COc1cc(O)ccc1C(=O)C[C@H]1c2ccc(O)c(OC)c2C[C@@H]1C(C)(C)O 2356627445 JFKSSNYNQWSGSN-RDJZCZTQSA-N 386.444 3.415 0 1 GGAF COCOc1cc(-c2nn(C(C)C)c3ncnc(N)c23)ccc1Br 64516824 JSGRAJRLMWHOTJ-UHFFFAOYSA-N 392.257 3.402 0 1 GGAF CC(C)OC(=O)N1CCC(CCNC(=O)Cc2c(F)ccc(F)c2F)CC1 66079210 FKPHGZTXBXSINT-UHFFFAOYSA-N 386.414 3.410 0 1 GGAF CCC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 218887821 GEUWDXLPGYKMAG-CQSZACIVSA-N 386.456 3.241 0 1 GGAF CC(C)c1cc([S@](=O)c2c(Cl)cc(CC(=O)O)cc2Cl)nnc1O 34842582 YNXHQQAZZSIQKZ-XMMPIXPASA-N 389.260 3.406 0 1 GGAF Cc1c(Cl)cc(C2CC2)c2nc(CCc3nc(N4CCCC4)nn3C)nn12 210695470 MCSHFSKQGWPIPE-UHFFFAOYSA-N 385.903 3.082 0 1 GGAF COc1cc2cc3[n+](cc2cc1OC)CCc1cc(OC)c(OC)c(OC)c1-3 45320821 QEKAABOIORBZHS-UHFFFAOYSA-N 382.436 3.393 0 1 GGAF COc1ccc(/C=C(/Cc2cc(OC)c(OC)c(OC)c2)[N+](=O)[O-])cc1O 84668909 VMQVIEDFABQFFX-AUWJEWJLSA-N 375.377 3.287 0 1 GGAF Cc1cc(C)cc(Cn2c(=O)cc(NC3CC3)n(Cc3ccccc3)c2=O)c1 96915386 QWONFPBPEBUMSX-UHFFFAOYSA-N 375.472 3.298 0 1 GGAF O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1OC[C@@H]1CCOC1 143174342 DTEOYBYVOKRPOM-LLVKDONJSA-N 382.338 3.061 0 1 GGAF COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)OC(=O)C3 238755634 AYSLPAFKUGZRTQ-UHFFFAOYSA-N 380.352 3.420 0 1 GGAF CCN(CCOc1nc(-c2ccncc2F)cc(=O)n1C)c1cccc(C)c1 146522974 JJVPFAOFVNZHDD-UHFFFAOYSA-N 382.439 3.195 0 1 GGAF O=C(C1CCCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCOCC1 95894255 RWAKGGOIRNSNSM-ZLNRFVROSA-N 398.547 3.169 0 1 GGAF CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)cs2)CC1 253632721 AUBOGZYAGLUUGF-NNUKFRKNSA-N 383.514 3.469 0 1 GGAF CCOC(=O)c1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c1 586979279 VOSGGMAEIXERPC-UHFFFAOYSA-N 377.242 3.364 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c2c1 587058507 HAMPRGIARCIRPT-KRWDZBQOSA-N 393.896 3.376 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)N(C)C)c(Cl)c1)O2 587372904 BKAKDACLGZEDCD-GOSISDBHSA-N 388.851 3.404 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(Br)c(C)cc21 587370281 DMJUPBFDOCGZDR-GOSISDBHSA-N 387.233 3.461 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587173552 DQRPDONJKKIGKQ-SFHVURJKSA-N 389.452 3.409 0 1 GGAF CN1CCN(c2ccc3[nH]c(-c4ccc(F)c(Br)n4)nc3c2)CC1 587156162 XGURVSFFCCVHNV-UHFFFAOYSA-N 390.260 3.278 0 1 GGAF Cn1c([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cnc1-c1ccccc1 963240279 YZZCHGGPKLGGFE-FPOVZHCZSA-N 384.439 3.324 0 1 GGAF N[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962903257 UEWPZFULTSLZNQ-XKCSPQBFSA-N 376.431 3.368 0 1 GGAF COc1cc2nc(N(C)CC(C)C)nc(NC3CCN(C)CC3)c2cc1OC 1772633962 DTBKCXDRYUDIPI-UHFFFAOYSA-N 387.528 3.245 0 1 GGAF COCCCCn1cc([C@H](C)N(C(=O)[C@H]2CCNC2)C2CC2)c2ccc(C)nc21 1772593801 HSKVJYZVNXEPBI-ROUUACIJSA-N 398.551 3.433 0 1 GGAF CC(C)(C)C(=O)N1CC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 167203281 ZSFJDQMBDPSGLU-UHFFFAOYSA-N 394.475 3.265 0 1 GGAF Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N(C)C)[nH]c12 205650691 RWDAHTIMPJFEIK-UHFFFAOYSA-N 375.436 3.112 0 1 GGAF COc1ccc([C@@H]2SCC(=O)N2NC(=O)[C@H](C)Oc2ccccc2C)cc1 1863316 HUCRQKDYSDEQSW-XOBRGWDASA-N 386.473 3.076 0 1 GGAF CC[C@@H](C(=O)N[C@@H](C)CCc1ccco1)n1nc(C)n2c(cc3occc32)c1=O 4101704 LVPZABFKBVHVAB-BBRMVZONSA-N 396.447 3.232 0 3 GGAF CCNc1ncc2nc(-c3ccccc3)c(=O)n(Cc3cccc(OC)c3)c2n1 4238684 APEGOIROQZMVLL-UHFFFAOYSA-N 387.443 3.342 0 1 GGAF COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1ccccc1)CC2 29313405 YBJNIZQQTNSSJG-UHFFFAOYSA-N 396.531 3.196 0 1 GGAF CC(=O)N(C)c1cccc(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c1 28950552 HFHXHDRXXOKQKC-UHFFFAOYSA-N 376.420 3.045 0 1 GGAF CCOC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3cc(OC)no3)CC[C@H]2CN1C(=O)OC 26293979 YNWGNVQUKWEUFM-DLTWYDFYSA-N 394.468 3.052 0 1 GGAF CN(C)[C]1C=CC(c2noc([C@@H]3CCCN3CCCc3ccccc3)n2)=CN1 2356859676 ICHRMQOZQHTRLX-IBGZPJMESA-N 378.500 3.391 0 1 GGAF CC(C)C[C@H]1C(=O)N(NC(=O)CCc2ccccc2)CN1Cc1ccccc1 64553965 UMQVELXGUSPYCF-NRFANRHFSA-N 379.504 3.367 0 1 GGAF Cc1noc(CN(C)c2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)n1 36382589 AKJAPEGEOSCWAY-UHFFFAOYSA-N 375.388 3.353 0 1 GGAF O=C(CCCN1CCCC1)Nc1ccc([C@H]2NC(=O)Cc3ccccc32)cc1 33823700 XAOKDTXQXNZCQV-HSZRJFAPSA-N 377.488 3.263 0 1 GGAF CCCCCN1C(=O)[C@@](C(=O)OC)(c2ccc3c(c2)OCO3)c2ccccc21 71333549 KJRILIYIVHUYLK-JOCHJYFZSA-N 381.428 3.411 0 1 GGAF CCCO[C@@H]1C[C@@H](CC)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40408091 NUAGUSVYUAKFOF-GDBMZVCRSA-N 380.876 3.481 0 1 GGAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(N)CC3)cc2n1 221607676 NPWSGCCVHIYDTM-UHFFFAOYSA-N 378.451 3.063 0 1 GGAF COc1cc2nc(N3CCC(O)CC3)nc(NCc3ccccc3)c2cc1OC 82125804 HDKKVAIOFDGGDI-UHFFFAOYSA-N 394.475 3.220 0 1 GGAF COc1cc([C@H](O)[C@H](C)Oc2c(OC)cccc2OC)cc(OC)c1OC 84672592 BPOHDVXHOPPVCQ-KPZWWZAWSA-N 378.421 3.231 0 1 GGAF COc1ccc(Cn2cc(Cn3c4ccccc4c(=O)n3C(C)C)nn2)cc1 199393579 MFXOZQFUCHCXSP-UHFFFAOYSA-N 377.448 3.081 0 3 GGAF CC(=O)N1C[C@H]2C[C@@H]1CN2CCc1ccc(Oc2nc3ncccc3s2)cc1 95562941 QRMXENQNOMHOSJ-IAGOWNOFSA-N 394.500 3.331 0 1 GGAF CC[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)N[C@@H](CO)CC(C)C 25429429 KJTADFQBHYXEKD-IMFGXOCKSA-N 392.515 3.227 0 1 GGAF biogenic COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3ncc[nH]c-3n1)C(=O)OC2 586916273 XIRNPEFAMAYMDZ-WCIBSUBMSA-N 394.431 3.119 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cc4cc5c(cc4nc1O)OCO5)[C@@H](C2)C3=O 587435506 GKQGWLAXMANMCN-YUNKPMOVSA-N 377.352 3.166 0 1 GGAF CS(=O)(=O)Nc1ccc(-c2csc(-c3cccc(C(N)=S)c3)n2)cc1 587924211 LRKWQTBMQRYNIQ-UHFFFAOYSA-N 389.527 3.483 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C[C@H](N=O)C(=O)OC)(c1cccnc1)CC2=O 587488187 HUCYFSRZBAJRLH-HRAATJIYSA-N 398.415 3.299 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(CO)ccc41)[C@@H](C2)C3=O 587450571 MSLAYFPLCRGLLS-NBGIEHNGSA-N 398.414 3.423 0 1 GGAF COc1cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1OC 587194664 XKSKKJKJMMMFID-LBPRGKRZSA-N 378.473 3.098 0 1 GGAF CN(Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587171003 VXQCXJUGCVVYQE-UHFFFAOYSA-N 391.321 3.079 0 1 GGAF COc1cc(Br)c([C@H](N)c2nc3cccc(O)c3[nH]2)cc1OC 586974963 HZSZSTWHSADNLA-AWEZNQCLSA-N 378.226 3.096 0 1 GGAF Cc1c(Br)cnc2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc12 586924535 ROHMPAUKFCCPHE-BQYQJAHWSA-N 378.251 3.473 0 1 GGAF CCOC(=O)C1([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)CCC1 962660267 GIAFXKCKEOZMEM-JTHBVZDNSA-N 396.487 3.282 0 1 GGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccc(OC)c(OC)c1C(=O)O 963583903 RSNMBHVPWQSLPF-NSPYISDASA-N 387.432 3.043 0 1 GGAF CC(C)CNC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 1772651458 QCLHRBUJZLWLKU-NRFANRHFSA-N 390.487 3.121 0 1 GGAF CN(CCOc1ccc([C@H]2SC(=O)NC2=O)cc1)c1nc2ccccc2o1 12358051 HTANXWFGXPQIQT-MRXNPFEDSA-N 383.429 3.367 0 1 GGAF CN(CCOc1ccccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O 13560151 RQOKWILVQFVGSH-UHFFFAOYSA-N 378.900 3.360 0 1 GGAF COc1cccc(C(=O)N(C)CCN2CCN(c3ccc(Cl)cc3)CC2)c1 13804227 NXCDIYDHMQLALC-UHFFFAOYSA-N 387.911 3.243 0 1 GGAF CCC(=O)N(c1cccc(NC(=N)N)c1)C1CCN(CCc2ccccc2)CC1 13836494 KWZIEMJJZLKPHF-UHFFFAOYSA-N 393.535 3.442 0 1 GGAF Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(COc2cccc3cnccc23)on1 15065006 RNSOFQAGKYGCHK-ZDUSSCGKSA-N 391.431 3.335 0 3 GGAF COc1ccc2c(c1)[C@H](O)C(=O)[C@H](c1ccc(OC)c(Br)c1)O2 169690318 VNARNCLQMGHYSY-RDJZCZTQSA-N 379.206 3.203 0 1 GGAF Cc1ccc2c(c1)[C@H]([C@]1(O)C(=O)N(Cc3ccccc3)c3ccccc31)C(=O)N2C 206045913 POLPZLJIRFYYTH-DHLKQENFSA-N 398.462 3.490 0 3 GGAF CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(F)c2)c1 1343316 PRKCJAYUWUDPET-SFHVURJKSA-N 384.411 3.419 0 3 GGAF CCc1c(C)nc2ncnn2c1N1CCC[C@@H](C(=O)Nc2cc(F)ccc2C)C1 4898206 LXUDUXGAKWUGIQ-OAHLLOKOSA-N 396.470 3.298 0 3 GGAF COc1ccccc1N1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1 103464794 FTPBHKKENSELJJ-GOSISDBHSA-N 391.309 3.313 0 1 GGAF O=C(CNc1nccnc1Cl)N1CCC(Oc2ccccc2Cl)CC1 52988101 MEHWMDCKJBRCPC-UHFFFAOYSA-N 381.263 3.265 0 1 GGAF c1cc(N2CCNCC2)nc(-n2ncc3cnc(-c4cncc(C5CC5)c4)cc32)c1 211034067 RPRPMROISJUPTE-UHFFFAOYSA-N 397.486 3.165 0 1 GGAF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@@H]1N(C)C2 195366319 LCWYVYCRRLOAFG-MWNCTCPHSA-N 399.272 3.278 0 1 GGAF CCC[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(C)(=O)=O 95576674 PSOLULMELWKRFF-NSHDSACASA-N 378.928 3.286 0 1 GGAF CN(C)c1ncnc2sc3c(=O)n(-c4ccc(C(F)(F)F)cc4)cnc3c12 95560534 JQLWBDOGIMFIJS-UHFFFAOYSA-N 391.378 3.475 0 1 GGAF CC(=O)O[C@@H]1CC=C2C(=O)OC[C@]23C[C@H](O)[C@H](C)[C@@](C)(CCc2ccoc2)[C@@H]13 523041578 LDHZCXPOCUYEEH-PJXLKAJQSA-N 388.460 3.040 0 1 GGAF biogenic CC(C)C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C)c1ccccc1 618013609 VXCUNEZHDQNNQC-UZSDIVCKSA-N 394.519 3.098 0 1 GGAF COc1ccc(CCOC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc1OC 653912185 MNCNATMJPXYRTH-SOFGYWHQSA-N 388.416 3.226 0 1 GGAF CCOC(=O)C(=O)C[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596351 NXFMUTIMJOHNQJ-PGRDOPGGSA-N 396.395 3.025 0 1 GGAF COC(=O)c1cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2cn1 587073601 KDRPWSWIYXSADO-UHFFFAOYSA-N 382.811 3.013 0 1 GGAF COC(=O)[C@@]1(c2cccc(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 587378558 VOOGWDYGQCIUBX-SFHVURJKSA-N 390.233 3.373 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ncc(Br)cc1N(C)C)[C@@H](C2)C3=O 587416822 GEIOXIRMZVEMTQ-KPZWWZAWSA-N 389.249 3.407 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)N(C)C)[nH]2)N1 587789841 GCNOEUXBZSNTHM-XXFAHNHDSA-N 380.261 3.242 0 1 GGAF CC[C@]1(c2ccccc2OCC(=O)N(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430483 UJOLOQVFSSCWRY-UZUQRXQVSA-N 395.455 3.215 0 1 GGAF O=C(O)[C@@H]1Cc2cccc(F)c2C2(N1)c1cc(O)ccc1-c1ccc(O)cc12 962908255 USJSCSKHXNMPJU-IBGZPJMESA-N 377.371 3.108 0 1 GGAF Cc1nc(Cl)c([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(Cl)n1 963230212 LXXZJIPJFWNJMP-HIFRSBDPSA-N 389.242 3.328 0 1 GGAF CCOC(=O)Nc1ccsc1[C@@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963526232 NYWPLJUOILBXJF-DZGCQCFKSA-N 376.434 3.019 0 1 GGAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NC[C@H]2CCOC2)cc1F 1772637097 VZULMCMVHNUHKQ-SECBINFHSA-N 391.877 3.185 0 1 GGAF COc1ccc2c(c1)C(=O)N(CCN1CCN(c3ccc(Cl)cc3)CC1)CC2 13804238 FLUICVJCLNQVDT-UHFFFAOYSA-N 399.922 3.169 0 1 GGAF Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N3C[C@@H](C)C[C@@H](C)C3)sc2n1 17967160 QENSWSUIVAQTCN-BETUJISGSA-N 388.537 3.263 0 1 GGAF CC[C@H](O)C(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 1857534970 RFHPNRJPNCVTLF-HNNXBMFYSA-N 377.238 3.411 0 1 GGAF Cc1nnc2ccc(C(=O)NC3CN(c4ncc(Cl)cc4F)C3)cc2c1C 1857535602 XRAYBFPNLYEBLF-UHFFFAOYSA-N 385.830 3.053 0 1 GGAF Cc1ccccc1CN1C[C@@H]2CC[C@H](C1)N2c1cnnc(O)c1Br 1857579062 UQVTXBFMIFSODD-GASCZTMLSA-N 389.297 3.106 0 1 GGAF O=C(CN1CCC[C@H](c2ccccc2)C1)N[C@H]1CCN(Cc2ccccc2)C1 1857587666 LJIUZOIBJFVUCF-GOTSBHOMSA-N 377.532 3.257 0 1 GGAF Cc1nn(-c2cccc(F)c2)c2c1[C@H](c1cccc(F)c1)CS(=O)(=O)O2 1857588884 AGSVGWVRTUJDEL-INIZCTEOSA-N 376.384 3.313 0 1 GGAF CC(C)c1cc(N2CCOCC2)nnc1C(=O)NC12CC3CC(CC(C3)C1)C2 1857752190 WCLRQWSGMRZTJJ-UHFFFAOYSA-N 384.524 3.135 0 1 GGAF CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1OC 28388839 ASTOXRUEFMJRBI-UHFFFAOYSA-N 384.480 3.411 0 1 GGAF C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4205211 GGCKCPKZADUGGX-DCPHZVHLSA-N 385.895 3.498 0 1 GGAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(=O)N(CCN1CCCC1)C2=O 6482852 WKWNJPXBIBKJHF-XARGGIHNSA-N 396.531 3.309 0 1 GGAF CC(=O)O[C@@H]1C2=C(C)[C@H](OC(C)=O)C[C@@]23[C@H](C)[C@H](OC(C)=O)C[C@H]1C3(C)C 104381303 LCYMMMXHRHJXJB-WXFITXCXSA-N 378.465 3.184 0 1 GGAF in-man O=C(/C=C/c1ccc(F)cc1)NS(=O)(=O)c1ccc(Br)cc1 60489361 WRCDKJRSZCLYDU-XCVCLJGOSA-N 384.226 3.107 0 1 GGAF CCN1C(NCCCOC(C)C)=N[C@@H](c2ccccc2)[C@@H](C(=O)OC)[C@@H]1C 66156727 YDRNLDNTYMCTTD-WDSOQIARSA-N 375.513 3.002 0 1 GGAF COc1ccc(CN2CCOC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1 2356642651 PNEGSCAQSYWWJC-KRWDZBQOSA-N 382.382 3.389 0 1 GGAF COc1cc(OC)c2c3c(n(S(=O)(=O)c4ccc(N)cc4)c2c1)CCCC3 36093356 KVFPQVSUYDYNAX-UHFFFAOYSA-N 386.473 3.357 0 1 GGAF CC(=O)N1CCC(Oc2ccc(C(=O)c3cc4cc(O)ccc4[nH]3)cc2)CC1 66078924 ZYNPFDBJBHSXTK-UHFFFAOYSA-N 378.428 3.494 0 1 GGAF COC[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](COC)Cc1ccc2c(c1)OCO2 14437712 NQFDLHKMNTXMAG-QZTJIDSGSA-N 386.444 3.454 0 1 GGAF biogenic CC(C)(N)CNC(=O)CC1CCC2(CC1)OCC1(O2)C2CC3CC(C2)CC1C3 40933271 BCIQCMGKKJSYLC-UHFFFAOYSA-N 390.568 3.358 0 1 GGAF CC[C@@H](C)c1nc2nc(N3CCC(O)(Cc4ccccc4)CC3)ccc2[nH]c1=O 82231318 LTKXQCRNUHJYHI-MRXNPFEDSA-N 392.503 3.406 0 1 GGAF Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)N2CCSCC2)cn1 141364892 LGPNUUFCZUGJOR-UHFFFAOYSA-N 396.472 3.208 0 1 GGAF CCCn1c(Br)nc2c(N)nc(NCCc3ccccc3)nc21 147614100 MNRXNKIRMSHKTK-UHFFFAOYSA-N 375.274 3.236 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCOC(C)(C)C4)ncc23)ccn1 261187956 YCGBTOKQGKYGLJ-CQSZACIVSA-N 380.452 3.407 0 1 GGAF CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(ccn3C)n2)cc1 96283255 JMWDTMSHFAJXAF-AWEZNQCLSA-N 394.479 3.002 0 1 GGAF CCOc1ccc(-c2nn(C(=O)C[C@@H](C)O)c(=O)c3ccccc23)cc1OCC 587670708 HGDULOOYSMIGMF-CQSZACIVSA-N 396.443 3.272 0 1 GGAF CCS(=O)(=O)c1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 587041064 VEGFCBIMAHSKLE-AWEZNQCLSA-N 397.522 3.339 0 1 GGAF CC1=C(c2ccc3nc([C@@H](c4ccc(F)cc4)N(C)C)[nH]c3c2)NNC(=O)C1 587164704 ZGGTUYNBKQRXMO-HXUWFJFHSA-N 379.439 3.109 0 1 GGAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4CSCC(=O)N4)[nH]c3c2)cc1 587042255 BRDFSFKWLKHSSY-MRXNPFEDSA-N 383.429 3.046 0 1 GGAF NC(=O)Nc1cccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 587242578 UURMMAVWXRSBFV-UHFFFAOYSA-N 375.182 3.181 0 1 GGAF CC[C@@H](NC(=O)c1cnn2nc(C)cnc12)c1ccc(OC(F)(F)F)cc1 1772574979 IJTLFAIKVFZHFJ-CQSZACIVSA-N 379.342 3.212 0 1 GGAF Fc1cc(Nc2ncc(F)c(OCC(F)(F)F)n2)ccc1[C@@H]1CNCCO1 150029409 ALNGRRMJEIRAFV-ZDUSSCGKSA-N 390.312 3.100 0 1 GGAF O=C1N[C@H](C(=O)O)Cc2ccc(cc2)OC/C=C\COc2cccc(Cl)c21 169313220 BAWJRRUGVCVUHL-AIMAZDRCSA-N 387.819 3.093 0 1 GGAF Cc1cc2ccccc2n1CCNC(=O)c1cccc(N2CCN(C)CC2)c1 169351797 CZRIMOWJKYTMCG-UHFFFAOYSA-N 376.504 3.132 0 1 GGAF OC[C@H](NCc1nc(-c2ccc(OCC(F)(F)F)nc2)ccc1F)C1CC1 204406117 MRWLYWYWLSVJGK-INIZCTEOSA-N 385.361 3.084 0 1 GGAF COc1ccc(Cl)cc1[C@H](C)NC(=O)N(C)S(=O)(=O)c1ccccc1 1857744719 HPXVGGYLFAGRTK-LBPRGKRZSA-N 382.869 3.440 0 1 GGAF CC1(C)C[C@@H]1N(C[C@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 223909476 ZMAZCCGSJZVPEH-QRWLVFNGSA-N 386.517 3.216 0 1 GGAF O=C([C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl)N1CCOCC1 4296305 GTPBOPRAVDBWFR-MJGOQNOKSA-N 388.826 3.430 0 1 GGAF CCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1 6721048 FVHQDQQCMCDZAR-SJORKVTESA-N 397.479 3.370 0 1 GGAF COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCc1cccnc1)C(C)(C)C)CC2 13588141 NZIZHJZCAHXLKW-OAQYLSRUSA-N 397.519 3.188 0 1 GGAF CN(C)C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 13610379 IPXNFQNXWOFDQD-UHFFFAOYSA-N 377.448 3.013 0 1 GGAF C[C@@](O)(C(=O)Nc1cccc(C(=O)N2CCCCC2)c1Cl)C(F)(F)F 13808686 NLHSXYGKBUOFPL-OAHLLOKOSA-N 378.778 3.218 0 1 GGAF COc1ccc(OC)c([C@@H]2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)c1 15785505 KFELAUKCIAPRDD-OAHLLOKOSA-N 378.432 3.119 0 1 GGAF CN(C)C(=O)Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2 35001649 HIYJXPDDEPYXAI-UHFFFAOYSA-N 395.390 3.296 0 1 GGAF CC1(C)Cc2nc(N3CCOc4ccc(-c5ccn[nH]5)cc43)sc2C(=O)N1 40877711 XBYNTSRJEKQLDL-UHFFFAOYSA-N 381.461 3.128 0 1 GGAF O=C1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)CCN1CC(F)(F)F 59287546 LXRKFWNBLVGWJV-UHFFFAOYSA-N 388.695 3.206 0 1 GGAF COc1ccc(CNc2nc(N3CCN(c4ccccn4)CC3)ncc2C)cc1 82212919 PURLCOLOOQIHKS-UHFFFAOYSA-N 390.491 3.127 0 1 GGAF O=C(Cn1c(=O)sc2cc(C(=O)c3ccccc3)ccc21)Nc1ccccn1 103292378 BUZHNFIVTICZHM-UHFFFAOYSA-N 389.436 3.328 0 1 GGAF Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)o1 110652398 DAACUMHLEGOAHT-RTBURBONSA-N 392.386 3.274 0 1 GGAF Brc1cccc(CN[C@H]2[C@@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3C3(OCCO3)[C@H]6[C@@H]52)c1 169295384 WAUBOCWMTBAXMK-DDLXHHJPSA-N 388.305 3.038 0 1 GGAF Cc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@@H]32)n1 169701353 KFXKNWZMYLECKX-YJBOKZPZSA-N 376.485 3.474 0 1 GGAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)N1CCc2ccccc21 299840253 WLEPZPAKSFBFNK-UHFFFAOYSA-N 375.808 3.060 0 1 GGAF O[C@@]12[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@@H]4[C@@H]1[C@@H]6[C@@H]([C@H]53)N2CCNc1ccnc2cc(Cl)ccc12 299840571 VKOVOJDEQBXENK-BFZCYKJNSA-N 379.891 3.061 0 1 GGAF NS(=O)(=O)Cc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 586929845 HBYKWXXUZOAIBM-UHFFFAOYSA-N 391.452 3.249 0 1 GGAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(=N)[nH]cc3[nH]2)cc1 586950071 ONBVWPMNMZPIIJ-UHFFFAOYSA-N 379.445 3.147 0 1 GGAF O=[S@](CCCc1nc2ccnc(O)c2[nH]1)c1ccc(Br)cc1 586958052 CIKNIZCLYIYDHK-JOCHJYFZSA-N 380.267 3.166 0 1 GGAF COc1cc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2cn1 586980521 VPMBZJCOALAAFG-UHFFFAOYSA-N 392.209 3.129 0 1 GGAF CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@]21N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962626782 DESRBPOKRYTKJC-TWKYDXJASA-N 397.393 3.405 0 1 GGAF COc1cccc2cc3c(nc12)C1(CCN(c2ccc(Cl)nn2)CC1)NCC3 963044129 CERQICRPGLQJMP-UHFFFAOYSA-N 395.894 3.328 0 1 GGAF CCNC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 206043945 DCFKNGWQYNEZRM-QTDGGUCWSA-N 383.536 3.488 0 3 GGAF O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1)N1CCOCC1 4208524 QYPXEDWLDCWRBG-NVXWUHKLSA-N 376.865 3.352 0 1 GGAF O=C(COC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2)Nc1ccc(Cl)cc1F 102369893 NHSHSCNQSJDSCN-VMFHFQHDSA-N 381.831 3.292 0 1 GGAF COc1c(Cl)cc(Cl)c(O)c1C(=O)NC[C@@H]1CCCN1CCCF 26492859 LCYSGPSKMAMCSO-JTQLQIEISA-N 379.259 3.261 0 1 GGAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccc(C(C)=O)cc1 2356536288 IAIXIPGZOLXHSE-ZVDOUQERSA-N 386.540 3.063 0 1 GGAF COc1ccccc1N1CCC(CNC[C@@H]2COc3cccc(F)c3O2)CC1 26996129 MVTOIWYCUADBKD-QGZVFWFLSA-N 386.467 3.480 0 1 GGAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCOc2c1cccc2N1CCOCC1 38268074 DRKFVZNNQBSDBF-QGZVFWFLSA-N 393.447 3.045 0 1 GGAF CC(C)CC(CC(C)C)C(=O)OC[C@]1(CO)C/C(=C\c2ccccn2)C(=O)O1 40421207 REQFZZLUXMZZNX-OJHVLRHSSA-N 389.492 3.395 0 1 GGAF O=C(c1ccccc1-n1cccn1)N1[C@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2 220717081 ACEQZDGXQHUBSC-IEZWGBDMSA-N 392.434 3.479 0 1 GGAF CC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@H](CO)N2CC1CC1 95864534 XWMVOTXIXKQFFF-XZOQPEGZSA-N 394.490 3.264 0 1 GGAF O=C1CCc2cc([C@@]3(C(=O)O)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1 587528126 XCCSMPQXYXQVPE-HSZRJFAPSA-N 391.423 3.395 0 1 GGAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1 587936838 MEHBKJOLIVCHTL-ZSEKCTLFSA-N 392.459 3.164 0 1 GGAF NC(=O)Nc1cccc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 587242142 NTGNJTJGWUAJHI-UHFFFAOYSA-N 384.339 3.014 0 1 GGAF Cc1cnc2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc2c1 587186497 VURGJDKIIGLBIJ-LBPRGKRZSA-N 378.217 3.113 0 1 GGAF Cc1cc(Br)c2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2c1 586930087 PAERAACLZGPZLS-UHFFFAOYSA-N 394.294 3.066 0 1 GGAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Cl)cnc2[nH]1 586945398 DZZHIPICTFOVRS-UHFFFAOYSA-N 394.865 3.411 0 1 GGAF Cc1cncc(C(=O)Nc2cccc(CN3CC[C@@H](C(=O)NC(C)(C)C)C3)c2)c1 1772609964 RYRHEFZZFQSXGA-GOSISDBHSA-N 394.519 3.379 0 1 GGAF COC[C@H](C)n1c(-c2cn3c(C)nnc3c(NC(C)C)n2)nc2ccc(N)cc21 1772599403 XYNSOALDZLYHSO-LBPRGKRZSA-N 394.483 3.059 0 1 GGAF CC(C)(C)NC[C@@H]1C[C@@H]2CCCC[C@H]2CN1C[C@@H](O)[C@@H](N)Cc1ccccc1 1772583864 PWNVMZDSVKZPKA-XZCBWCRCSA-N 387.612 3.186 0 1 GGAF Cc1ncc(C=O)c(CNNC(=S)Nc2ccc(Cl)c(Cl)c2)c1O 169689522 BTVCZMYMNSZUMV-UHFFFAOYSA-N 385.276 3.206 0 1 GGAF CN(C)C1=N[C@@H](c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)NC(=N)N1 1857542082 BAHARGZVFNHSTG-SFHVURJKSA-N 393.882 3.236 0 1 GGAF O=C(NCc1ccccc1)c1cc(S(=O)(=O)NC2CCCCC2)ccc1F 1857630801 XXOREPQFSGYMRF-UHFFFAOYSA-N 390.480 3.367 0 1 GGAF NC(=O)[C@H](Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(=O)O 27100016 CTINALKUKCEPOT-FQEVSTJZSA-N 379.412 3.026 0 1 GGAF CC(=O)O[C@H](C)OC(=O)N(C[C@@H](O)COc1cccc2ccccc12)C(C)C 26952160 HBWFUIQMOICLQJ-FUHWJXTLSA-N 389.448 3.336 0 1 GGAF CCCCNC(=O)[C@@H](NC(=O)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1 26748318 BUOHVHKECJWLHK-IXDOJHRFSA-N 380.444 3.172 0 1 GGAF O=C(Nc1cccc(F)c1CN1C(=O)c2ccccc2C1=O)c1ccccn1 28948841 BSVXKEIHNZPOPN-UHFFFAOYSA-N 375.359 3.269 0 1 GGAF COC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@H](C)CNC4=O)cc1 28902168 LRJVJJSTZLCGCH-LLVKDONJSA-N 377.400 3.054 0 1 GGAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)Nc2ccsc2)CC1 2356536309 IUZYHWZODMTJGQ-YQVWRLOYSA-N 376.570 3.312 0 1 GGAF COc1ccc2nc(C[C@@H]3CN(C(=O)C(C)(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356667933 WKJOEEXKGBFLPT-ZIAGYGMSSA-N 387.480 3.100 0 1 GGAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@@H]1CCCC[C@H]1O 1911583734 QBGXAQUTKHIMNE-GHMZBOCLSA-N 394.357 3.091 0 1 GGAF CC[C@H](NC(=O)C1=CCNC1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F 220700760 ASNWWEXMMZBHJU-INIZCTEOSA-N 387.842 3.202 0 1 GGAF Cc1nonc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(NC(C)C)cc1 45334590 LMBAOVZSTQPJJK-QGZVFWFLSA-N 380.452 3.191 0 1 GGAF Fc1cnccc1-c1nc(N[C@@H]2CCNC2)c2scc(Br)c2n1 223687322 NDYBHIPJGSAQFC-MRVPVSSYSA-N 394.273 3.429 0 1 GGAF Cc1cnc(N2CCC(C(N)=O)CC2)nc1NCc1cccc(C(F)(F)F)c1 82204272 QWHZQBAIVOWBCQ-UHFFFAOYSA-N 393.413 3.118 0 1 GGAF COc1ccc(-c2cc3ncccc3c(OC[C@H]3CCC(=O)NC3)n2)cc1OC 141929605 SVSHDEJXIFAACT-AWEZNQCLSA-N 393.443 3.219 0 1 GGAF Fc1ccc2nnc(-c3ccc4cccc(O[C@H]5CCNC[C@@H]5F)c4n3)n2c1 96175020 CTVPSIXLKPKNTQ-HOCLYGCPSA-N 381.386 3.162 0 1 GGAF CCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O 146005951 IQSHJASKBUVXAG-OGZRUICASA-N 380.418 3.477 0 1 GGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(Cc4ccc(C)cc4)C[C@@H]23)cc1 95795674 BTBGJPBJMAHVIJ-JNOFDCLSSA-N 376.500 3.199 0 1 GGAF CCC(=O)N1c2c(ccc(OC)c2O)[C@@]23CCN4CCC[C@]5(CCO[C@@]452)CC[C@@H]13 238732699 BQUQIANAVWLUAX-LUGPXAIHSA-N 398.503 3.160 0 1 GGAF C[C@@H](CCO)CNCc1ccc(F)c(-c2ccc(OCC(F)(F)F)nc2)n1 261109258 HUDJFQQXIZGNTD-LBPRGKRZSA-N 387.377 3.332 0 1 GGAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)cc2N1 587126179 WVRCCMYIMLOOFI-QTTZVWFDSA-N 377.330 3.316 0 1 GGAF Cc1nc(O)nc(S)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587847735 XWECPVDLYHGONM-VGDKGRGNSA-N 398.301 3.479 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(OC(F)(F)F)ccc41)[C@@H](C2)C3=O 587422132 NMXDVYHPKVENEJ-KPZWWZAWSA-N 391.301 3.189 0 1 GGAF COC(=O)Cn1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587754047 KHSWMSMPLKEEBA-QGHHPUGFSA-N 381.245 3.186 0 1 GGAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 586973590 PNOHKAOYAIIBPM-QGZVFWFLSA-N 381.461 3.255 0 1 GGAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@](C)(O)C(C)C)[nH]c3c2)cc1 586889368 MXRBNWRFBXIFTP-IBGZPJMESA-N 389.477 3.236 0 1 GGAF Cc1cc2[nH]c(-c3ccc4ncc(I)n4c3)nc2c(C)n1 587187511 IAXHSGYFULKFQD-UHFFFAOYSA-N 389.200 3.494 0 1 GGAF COc1cc(Br)cc(C=O)c1OCc1nc2ccc(CO)cc2[nH]1 586980117 JSIGAMQKVWCHRV-UHFFFAOYSA-N 391.221 3.218 0 1 GGAF COc1cccc([C@@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1N 962664861 KUQVLATYYCKHLP-DHIUTWEWSA-N 391.471 3.188 0 1 GGAF Cc1sccc1NC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 13683625 OFJBHNZSLRFALF-UHFFFAOYSA-N 394.420 3.285 0 1 GGAF O=C(O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(Cl)ccc12 13860789 DHIKLUATISJUTM-UHFFFAOYSA-N 385.832 3.335 0 1 GGAF CCCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc2c1CCCC2 1857607788 VWLGIACVGHADQG-UHFFFAOYSA-N 381.567 3.138 0 1 GGAF CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N(C)C)cc1 770122 QDRVVBVHIKYXLX-FPOVZHCZSA-N 381.476 3.331 0 1 GGAF O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2)c1c(F)cccc1F 4106189 ZXFGLGDEKJOVPB-HHHXNRCGSA-N 391.374 3.304 0 1 GGAF CC(C)OC[C@H]1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O 58506613 NHRLPAVZBKIQPV-GUYCJALGSA-N 383.901 3.367 0 1 GGAF O=C(O)C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1Cc1nc2ccccc2[nH]1 2356305798 HWZPIYMCAMTGIU-QZTJIDSGSA-N 391.471 3.288 0 1 GGAF O=C1O[C@@H](COc2ccsn2)CN1c1ccc(C2=CCOCC2)c(F)c1 27417667 CGFVYPYFQCWLSX-CQSZACIVSA-N 376.409 3.490 0 1 GGAF CN(C)c1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)c1 100632409 JZUYNZACKMSHHB-LIRRHRJNSA-N 395.528 3.426 0 1 GGAF Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(Cl)cc1)C1=C(O)c3ccccc3C1=N2 103523966 KOLJYFXRWSJMDF-AWEZNQCLSA-N 391.814 3.276 0 1 GGAF CC/C=C\C/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCC(=O)O 102186066 SNPJCMSWLFPGRU-KZLUXCBPSA-N 378.509 3.375 0 1 GGAF COc1cc([C@@H]2CN=C(c3ccc4c(c3)nc(C)n4C)O2)cc(OC)c1OC 27524327 ANOPLMZFGSEODR-IBGZPJMESA-N 381.432 3.426 0 1 GGAF CC(C)CCCCCCC[C@]1(O)C=C[C@@H]2N(CCCCNC(=N)N)CCCN21 2356826806 HKMNZDXOJMMSFK-IRLDBZIGSA-N 393.620 3.229 0 1 GGAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]3C)n1 218807525 WVMPHKVLGBDWHJ-MRVPVSSYSA-N 392.847 3.115 0 1 GGAF CSCCNc1cc(-n2nc(C)c3c2CC(C)(C)CC3=O)ccc1C(N)=O 36741077 YSRPGILIUALYFU-UHFFFAOYSA-N 386.521 3.210 0 1 GGAF COc1cc(C(=O)NCc2ccc3nc(N)sc3c2)ccc1-c1cn[nH]c1 213991224 PBHHKZXWMADESY-UHFFFAOYSA-N 379.445 3.207 0 1 GGAF CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)C(C)C)C3 82196272 QDTNSHANQLBYAZ-UHFFFAOYSA-N 398.429 3.026 0 1 GGAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(C5CC5)CC4)ncn3)c2c1 221157348 CQZAARGKVQBJAC-UHFFFAOYSA-N 378.480 3.092 0 1 GGAF CC(=O)NCCn1c(CC(C)(C)C)nc2c(NCc3ccccc3C)ncnc21 82180556 GWXXLDKWJJVXKF-UHFFFAOYSA-N 394.523 3.472 0 1 GGAF CN[C@@H](C)C(=O)Nc1ccc2c(n1)OC(C)(C)C(=O)N2c1cccc(Cl)c1 143227958 CAVXVPDORXHSDG-NSHDSACASA-N 388.855 3.117 0 1 GGAF CN1[C@H](C(=O)NCC2CC2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]21 253961055 OMJFUEODJCESQQ-VFVAKGGASA-N 379.291 3.244 0 3 GGAF COc1cc([C@@H]2[C@@H]3Nc4ccccc4[C@H]3C[C@@H]3CCC(=O)N32)cc(OC)c1O 253634363 MZSKXOJALGTISZ-OKKVMHGVSA-N 380.444 3.423 0 1 GGAF CNc1nc(Nc2cnn([C@H](CC(N)=O)C3CCCCC3)c2)ncc1Cl 653849100 TWJGGZORIBKPTC-CQSZACIVSA-N 377.880 3.109 0 1 GGAF COc1cc(OC)c2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 587196999 GCUYRRKNAICXAV-ZDUSSCGKSA-N 391.468 3.496 0 1 GGAF CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4cccc5c4c3CC5)C[C@H]2[C@@H]1C(=O)O 587211685 HTNOMCFECVCQGK-BIENJYKASA-N 380.444 3.293 0 1 GGAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Br)c(F)cc2[nH]1 586950052 NSKFFBZEUHWAAU-UHFFFAOYSA-N 398.257 3.427 0 1 GGAF CCOC(=O)C[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444613 WJGXJZZIMRTEDN-VGSWGCGISA-N 382.412 3.300 0 1 GGAF CN(C)C(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587342380 DRBKJKMVEJMGBS-LJQANCHMSA-N 398.434 3.406 0 1 GGAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587109960 YGRVZWDYDQHABZ-UHFFFAOYSA-N 386.307 3.194 0 1 GGAF COC(=O)c1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589167 UIGALZDHNDKDMD-JXFKEZNVSA-N 377.352 3.277 0 1 GGAF CC1=C(c2ccc3[nH]c(-c4cccc(OCC(F)F)n4)nc3c2)NNC(=O)C1 587130598 WFZYUSLJEFZGFF-UHFFFAOYSA-N 385.374 3.024 0 1 GGAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O[C@H](C)C(=O)O 587438279 DTRDQCJBELNWAK-OGXQQIFESA-N 398.411 3.435 0 1 GGAF CNC[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587753263 GYEORQBJKMSRBT-BBATYDOGSA-N 379.273 3.291 0 1 GGAF COCOc1cccc([C@@]2(c3ccncc3)c3ccsc3CCN2C(N)=O)c1 962718961 VRHWEEXRCMPCDT-NRFANRHFSA-N 395.484 3.355 0 1 GGAF Cc1c([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cnn1-c1ccccc1F 963025120 JMTYLVRJKQEYNP-RCDICMHDSA-N 376.435 3.463 0 1 GGAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N[C@H]2CCc3ccccc32)nc1 1772626055 POZXGFPYKBQWRR-SFHVURJKSA-N 397.504 3.332 0 1 GGAF CC(=O)c1cc([C@@H]2c3ccc4cccnc4c3NS(=O)(=O)N2C)ccc1F 1772587718 RIKKZWAOTYEKMV-LJQANCHMSA-N 385.420 3.268 0 1 GGAF CCCC[C@H](NC(=O)OCC1(CC)CCC1)C(=O)C(=O)Nc1ccnn1CC 13583815 SFPCETUGAACAIC-HNNXBMFYSA-N 392.500 3.276 0 1 GGAF CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc1-2 13781507 NUXNKKUXSDGYTN-ZDUSSCGKSA-N 390.237 3.102 0 1 GGAF COc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3OC)C(C)=Nc3ncnn32)cc1 169688126 ZTLHXVCKKPQTCM-MOPGFXCFSA-N 391.431 3.246 0 1 GGAF Nc1ccccc1-c1nnc(SCC(=O)Nc2nc3ccccc3[nH]2)s1 1857761031 KIWPQPIIGIMSHO-UHFFFAOYSA-N 382.474 3.394 0 1 GGAF O=C(O)Cc1nn(Cc2csnc2-c2ccccc2)c(=O)c2ccccc12 13449079 DKLAMAQHLQNIHP-UHFFFAOYSA-N 377.425 3.195 0 1 GGAF O=C(O)C[C@@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccccc1 13860632 DCQCDEPHHWZADO-LJQANCHMSA-N 381.476 3.485 0 1 GGAF C[C@]12CC[C@@H]3[C@H](CCC4=Cc5nn(S(C)(=O)=O)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 26183593 FREWIGFIXSUUMY-INWOFZLFSA-N 390.549 3.234 0 1 GGAF CCCCCCC(=O)NCCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26502807 UIBJCQCDZWJCPQ-INIZCTEOSA-N 378.494 3.046 0 1 GGAF CCC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccccc3C)CC2)cc1 29631042 KTQHKMRQFHDNHS-HXUWFJFHSA-N 382.504 3.150 0 1 GGAF COc1ccccc1SC[C@H](O)CN[C@@H]1COc2ccccc2SC1 40895098 IMHOUWDBJOYBHV-HUUCEWRRSA-N 377.531 3.291 0 1 GGAF COc1cc(-c2cnc(N)c(-c3ccc(C(=O)O)c(C)c3)n2)cc(OC)c1OC 58632788 AOAAZBKGFGSOFM-UHFFFAOYSA-N 395.415 3.425 0 1 GGAF in-vitro CC(=O)O[C@H]1C[C@@]23C(=C1C)[C@@H](OC(C)=O)[C@@H](C[C@H](OC(C)=O)[C@H]2C)C3(C)C 59585879 LCYMMMXHRHJXJB-ZHOQLOPFSA-N 378.465 3.184 0 1 GGAF biogenic,in-vitro Nc1nnc(-c2ccc3[nH]cc(-c4nccc(OCC(F)(F)F)n4)c3c2)o1 145429082 FISCYPDTCXZXLZ-UHFFFAOYSA-N 376.298 3.198 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OCC4CC4)nc3)C2)cc1 169694400 RTNUPGRJZYBEJA-HNNXBMFYSA-N 381.476 3.335 0 1 GGAF Cc1cnc([C@@H]2C[C@@H]3CSC(N)=N[C@]3(c3ccc(F)cc3F)CO2)cn1 169708482 VHXQPAJVUGIRHC-DPZKZMLUSA-N 376.432 3.098 0 1 GGAF CCC(=O)N1CCC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218972198 WEBSKLAXHVKIKB-SRDOKRBCSA-N 398.547 3.482 0 1 GGAF O=S(=O)(Cc1nc2ccc(I)cc2[nH]1)C1CCCC1 586924164 JSRXJAMXQMZCQP-UHFFFAOYSA-N 390.246 3.025 0 1 GGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 586940857 IHEZMIAQDZFWRA-VOTSOKGWSA-N 396.394 3.375 0 1 GGAF COC(=O)c1ccnc2[nH]c(COc3ccc(Br)cc3C)nc12 586980668 CXJGEWYPKNATQP-UHFFFAOYSA-N 376.210 3.394 0 1 GGAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2nc(Cl)c[nH]c-2n1 587113638 RECUEJPSSZFOKB-HNNXBMFYSA-N 383.761 3.376 0 1 GGAF N[C@@H](Cc1ccc(I)cc1)c1nc2cccc(O)c2[nH]1 587185519 KNYPJMYWFQEUCO-NSHDSACASA-N 379.201 3.116 0 1 GGAF Cc1ccc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352626 LMPQXUUGXRIWNA-NZQKXSOJSA-N 394.398 3.405 0 1 GGAF COC(=O)C1CC2(C1)CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590532 CMLIQZILBUEDKN-AIEZIRNZSA-N 380.396 3.456 0 1 GGAF O=C1COc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 587592835 HLTOQPGJOKKDMY-SIKLNZKXSA-N 389.363 3.426 0 1 GGAF Cc1nn(CCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1Br 587651155 MDJQJHRHQOOQTP-UHFFFAOYSA-N 395.644 3.048 0 1 GGAF O=C1CC[C@H](C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)NN1 618013575 ZNYCRVDILKUOAF-SECBINFHSA-N 390.515 3.322 0 1 GGAF COc1ccc(NC(=O)c2cc3n(n2)CCCN(C(=O)c2occc2C)C3)cc1 1772606763 HRNKRBZIORXWLW-UHFFFAOYSA-N 394.431 3.092 0 1 GGAF Cc1cn(C23CC(N=c4nc5n([nH]4)CCCC[C@H]5c4ccc(F)cc4)(C2)C3)cn1 1857573587 ZALNMHMJXFINHH-XTWGIRIWSA-N 392.482 3.404 0 1 GGAF COc1cccc(-c2nc(C(=O)NCCc3ccccc3O)c(C)o2)c1OC 1857632919 JAOSYQCRISHFFL-UHFFFAOYSA-N 382.416 3.345 0 1 GGAF COC(=O)c1onc(-c2ccc(F)cc2)c1-c1ccc(S(C)(=O)=O)cc1 1857764917 NNVJBSBTDIEEHD-UHFFFAOYSA-N 375.377 3.338 0 1 GGAF F[C@H]1CN(Cc2ccc3ccccc3n2)C[C@H]1OCc1nc2cnccc2[nH]1 2356300427 WMMUAJITRDXVIO-OXJNMPFZSA-N 377.423 3.245 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@]2(C)[C@@H](C(=O)CO)CC[C@H]32)C1 2356670214 FHPQACKCDZIDIT-SHTZSZBQSA-N 390.520 3.317 0 1 GGAF CC1=C[C@H]([C@@H]2O[C@@H]3CCCn4c([C@@H]5C[C@H](C)C(=O)O5)ccc4[C@H]3[C@H]2C)OC1=O 2356754660 JAIHEXISEDXFLY-GGGRIYPESA-N 385.460 3.265 0 1 GGAF CCCCCN1CCCC[C@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)C1=O 199408119 CAAAGYKMOLITPN-INIZCTEOSA-N 392.496 3.014 0 3 GGAF COc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2cscc2[nH]1 1485838 GXXVNXSXPJGZGT-VWLOTQADSA-N 391.396 3.277 0 1 GGAF COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 13741011 YZCKPGFZFNXGTL-XUVXKRRUSA-N 385.552 3.150 0 1 GGAF CC(C)[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N21 26958728 AUQFEEAWGMJALA-ONTIZHBOSA-N 387.483 3.359 0 1 GGAF CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(Sc4ccccc4)oc23)[C@H](O)C1 33836696 FRPNTLUZPVREQA-CXAGYDPISA-N 399.468 3.135 0 1 GGAF CCOC(=O)CN1C(=O)S/C(=C/c2coc3c(C)cc(C)cc3c2=O)C1=O 40918023 CGMPTMCHMKXSBB-VGOFMYFVSA-N 387.413 3.009 0 1 GGAF CCCN(CCN1CCN(c2ccccn2)CC1)[C@H]1CCc2ccc(O)cc2C1 64251805 KIBICQVMFUXHBE-QFIPXVFZSA-N 394.563 3.179 0 1 GGAF COc1ccc(Oc2nc(NCc3ccccc3C)nc(N(C)CCO)n2)cc1 82065801 KHPBWNOUYPTDNE-UHFFFAOYSA-N 395.463 3.022 0 1 GGAF O=C(O)/C=C(/C(=O)O)N1CCN2C[C@H](c3ccc(Cl)cc3)c3ccccc3[C@H]21 84394965 KXABUJUPZGFFHI-MVFCIAGVSA-N 398.846 3.155 0 1 GGAF CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(N)c3)cc21 95560826 AHEPLJCXAPDAJN-QGZVFWFLSA-N 396.443 3.098 0 1 GGAF Cn1cc(-c2ccc(CN3C(=O)[C@@](O)(C(F)(F)F)c4ccccc43)cc2)cn1 95595688 QWNDWUZCYJENRY-LJQANCHMSA-N 387.361 3.384 0 1 GGAF O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCCC1 95894366 FWJPVUNSECTBBX-YTFSRNRJSA-N 391.515 3.451 0 1 GGAF CC1(C)[C@@H]2CC[C@@]1([C@@H](O)CN1CCN(c3ccc(Cl)cc3)CC1)C(=O)C2 169333729 UAJORIAKSVSWGD-JJXUHFIVSA-N 376.928 3.218 0 1 GGAF Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnc(C)s3)c(=O)n(C)n2)nc1 221924794 CYPMGOZGXXKRNR-ZBFHGGJFSA-N 397.504 3.043 0 1 GGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)cc1 586938926 LMRFGERHRREDSB-LBPRGKRZSA-N 398.488 3.191 0 1 GGAF O=C(CCc1nc2cc(Cl)cnc2[nH]1)Nc1nnc(-c2ccncc2)s1 587024272 SCWGIEXFROPEGG-UHFFFAOYSA-N 385.840 3.096 0 1 GGAF CC(C)Oc1cc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c2cc1Br 587254015 OTBMRPLNAZKQLR-UHFFFAOYSA-N 380.242 3.118 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(N)cc2C(=O)c2ccc(N)cc21 587392038 WCUNIUMVZYBEAH-HSZRJFAPSA-N 385.423 3.195 0 1 GGAF COc1ccc(NC(=S)n2ncc3ccc(Cl)cc3c2=O)cc1OC 587654528 LAPXNAGEGNQFQX-UHFFFAOYSA-N 375.837 3.312 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cncn2)(C2(Cl)CC2)N1 587695789 RTZKPRDHGIZGGD-QFYYESIMSA-N 399.695 3.381 0 1 GGAF COc1ccc2c(c1)[C@]1(C=C(c3ccccc3)Nn3cnnc31)N(C(C)C)CC2 962094597 WOPHNENZMVNOSS-QHCPKHFHSA-N 387.487 3.395 0 1 GGAF COc1cccc([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1N 962664875 KUQVLATYYCKHLP-GOTSBHOMSA-N 391.471 3.188 0 1 GGAF COC(=O)c1cc2c([C@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)ccc(OC)c2o1 962891403 ARBFIZKMFSRGKR-YJBOKZPZSA-N 399.374 3.055 0 1 GGAF CC[C@@H](O)C(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 1857534971 RFHPNRJPNCVTLF-OAHLLOKOSA-N 377.238 3.411 0 1 GGAF O=S(=O)(c1ccccc1)N1CCc2ccc(N3CCN(C4CCC4)CC3)cc21 1857577973 LQIJGBZSCQJUGS-UHFFFAOYSA-N 397.544 3.113 0 1 GGAF CC1(C)[C@H](O)CC[C@]2(C)[C@@H]3C[C@H](O)[C@@]4(C)[C@@H]5C(=CC[C@@H]4[C@@H]3CC[C@@H]12)CO[C@@H]5O 2356314202 RGGDHBJRMKFIJA-ZVSNWHOPSA-N 390.564 3.498 0 1 GGAF CCN(CC)C(=O)[C@@H]1CCC[C@H](NCc2cccc(Cl)c2)CN(C)C(=O)C1 2356501942 RPXSDABJXLBYAE-MJGOQNOKSA-N 393.959 3.315 0 1 GGAF CC(=O)[C@@H]1[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N[C@]1(O)C(F)(F)F 4076236 QXWLIBJAVGUJDL-SOLBZPMBSA-N 394.349 3.289 0 3 GGAF C[C@H]1Cc2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2N1C(=O)C1CCC1 6934827 ABOAOLATMYDQNI-GJZGRUSLSA-N 376.522 3.327 0 3 GGAF COc1ccc([C@@H](O)c2nc(C(=O)NCCOc3ccccc3)cs2)cc1 206056823 SLFABIAZLSRCFT-GOSISDBHSA-N 384.457 3.042 0 3 GGAF 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CCOc1ccccc1[C@](N)(c1nc2cc3c(cc2[nH]1)OCCO3)C(F)(F)F 587091155 BXKIXHIOUDTDOP-SFHVURJKSA-N 393.365 3.497 0 1 GGAF Cn1nc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(F)c1O 587154256 AQPKSUPQGCFGAR-UHFFFAOYSA-N 395.110 3.469 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3[nH]c(=N)sc3C2)N1 587853540 AETRSDMPZJEXJK-BCTVWOGZSA-N 382.302 3.376 0 1 GGAF COC(=O)[C@@]1(C)CCc2ccccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443303 NVHHHVXHXOLMEJ-ZQMYSKGWSA-N 378.424 3.464 0 1 GGAF CC(C)(C)Oc1ccc(O)n1-c1nn(-c2ncccn2)cc1Br 587938844 DLPXWXKWLKVWOV-UHFFFAOYSA-N 378.230 3.098 0 1 GGAF COC(=O)c1cc(Br)c2[nH]c(-c3cc(CO)ccc3F)nc2c1 587140788 QLZXTJKUSPRTOP-UHFFFAOYSA-N 379.185 3.410 0 1 GGAF O=C1c2ccc(O)cc2O[C@@]2(CCN(C3CC3)C(=O)C2)[C@H]1c1ccc(F)cc1 587343872 KXFQTBFOVILIDF-RBBKRZOGSA-N 381.403 3.414 0 1 GGAF Clc1ncnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc12 587018462 CJYQHGSATCBXTP-UHFFFAOYSA-N 385.836 3.492 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cnn(CC)c1)CC2=O 587476249 QXOCUIZAPLCYAJ-OAQYLSRUSA-N 386.448 3.375 0 1 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0 1 GGAF C[C@]12C[C@H](c3ccccc3O1)[C@H](C(=O)NC13CC4CC(CC(C4)C1)C3)C(=O)N2 6009960 RHWLBKOVCMUYOM-IDZMLAHASA-N 380.488 3.100 0 1 GGAF CC[C@@H](C(=O)NC[C@H]1CCCO1)n1nc(C)c2sc3ccccc3c2c1=O 6799305 JFFQPYAEEVGZGD-HIFRSBDPSA-N 385.489 3.166 0 3 GGAF C[C@H](CCc1ccc(C(F)(F)F)cc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27743094 YTPRDMVYEYOTPX-KZULUSFZSA-N 396.409 3.154 0 1 GGAF F[C@H]1CN(Cc2cnc3ccccc3c2)C[C@H]1OCc1nc2cccnc2[nH]1 2356312706 GEIOMUYIOWOHMX-QFBILLFUSA-N 377.423 3.245 0 1 GGAF O=C(O)c1ccccc1NC(=O)N1CCN(c2nccc3ccccc23)CC1 28969592 OPKJXRMAKKHBRC-UHFFFAOYSA-N 376.416 3.287 0 1 GGAF C[C@@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1C[C@@H]1CCCO1 20386828 PJVZTKJPTSFEAR-CVDCTZTESA-N 384.520 3.462 0 1 GGAF CCN(CC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@H]2[C@@H]1O 2356536687 QESXGMPOBFHENL-DKCSMMJCSA-N 392.584 3.209 0 1 GGAF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N(C)C2 27721738 LCWYVYCRRLOAFG-SRMUXQRQSA-N 399.272 3.278 0 1 GGAF CN(CCO)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82088095 DNLIDIPDNGZUOY-UHFFFAOYSA-N 382.260 3.444 0 1 GGAF Nc1nccc(-c2cn(S(=O)(=O)c3ccc(F)cc3F)c3ccccc23)n1 299851097 FEFDYGPAGGZJPT-UHFFFAOYSA-N 386.383 3.196 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)O)n(C)c2)N1 587754027 XMUOSZICFIKFSS-HUTHGQBESA-N 381.245 3.423 0 1 GGAF CC(=O)c1ccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2c1 587258994 CFIPAJBDVITUTP-KRWDZBQOSA-N 380.448 3.472 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cncn2)(C2(Cl)CC2)N1 587695788 RTZKPRDHGIZGGD-MGPLVRAMSA-N 399.695 3.381 0 1 GGAF COc1cc(-c2nc3c(C)cnc(Cl)c3[nH]2)ccc1OCC(=O)NC(C)C 587220840 GXJULUSMXOXWMH-UHFFFAOYSA-N 388.855 3.499 0 1 GGAF O[C@H]1CC[C@@H](c2nc3c(I)cnc(Cl)c3[nH]2)CC1 586899445 OTIABWBXFDJNMJ-KNVOCYPGSA-N 377.613 3.234 0 1 GGAF COC(=O)[C@]1(c2c(C)[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436876 BUGCJVFXBYSHKA-QRQCRPRQSA-N 377.396 3.301 0 1 GGAF CS(=O)(=O)c1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587112171 KANVHQODNYDPLA-ZDUSSCGKSA-N 383.395 3.228 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cn1)OCCO2 587589522 XPGZDWZCMOJLEK-WIYYLYMNSA-N 377.352 3.261 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\NC(=O)CS2)(C2CC2)N1 587858733 TVUVRPMKHANMPT-BIYMGMEISA-N 397.313 3.432 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c2ccc(F)c1F 587568235 GXHHBTWTGIMZQX-YCRPNKLZSA-N 395.317 3.480 0 1 GGAF CCOC(=O)NC(=O)C[C@@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1 962722051 YCHHXHOPKHKOPR-DJJJIMSYSA-N 380.485 3.067 0 1 GGAF Cn1cc(-c2ccc3nc(NC(=O)C4CC4)cn3n2)c(-c2ccc(F)cc2)n1 1772580316 XXRCNUFICRDVGI-UHFFFAOYSA-N 376.395 3.284 0 1 GGAF COC1=NO[C@@H](c2ccc(OC)c(O)c2)[C@H]1c1cc(OC)c(OC)c(OC)c1 13608698 RBMXWXNEACGSHH-MSOLQXFVSA-N 389.404 3.242 0 1 GGAF O[C@H](Cc1ccc(Br)cc1)CN1CCN(c2ccccc2)CC1 13824017 LLFKSJJIEKGMLU-LJQANCHMSA-N 375.310 3.175 0 1 GGAF CC(=O)c1c(-c2ccccc2)n(C2=NNC(=S)N[C@H]2N)c2ccc(Cl)cc12 169346634 JSBBDVNYPGDMHQ-QGZVFWFLSA-N 397.891 3.088 0 1 GGAF O=C(O)c1ccccc1NC(=O)N1CCN(Cc2cnc3ccccc3c2)CC1 200261163 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386.415 3.286 0 1 GGAF CC[C@@H]1CN(S(=O)(=O)c2ccccc2)CC[C@@H]1CC(=O)Nc1nccs1 25427790 VUMJAFYTKARSDT-HUUCEWRRSA-N 393.534 3.209 0 1 GGAF biogenic Nc1nc(N)c2c(Cl)c(S(=O)(=O)c3ccc4ccccc4c3)ccc2n1 59720495 BBJCTDXBXRAANF-UHFFFAOYSA-N 384.848 3.434 0 1 GGAF CC(C)(C)n1ncc(OCc2nnc(-c3cccc(F)c3)o2)c(Cl)c1=O 103217311 MSXOXGYVMNFDFT-UHFFFAOYSA-N 378.791 3.420 0 1 GGAF COc1ccc([C@@H](N)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1 61930776 CZABFHUEZLCRCL-QGZVFWFLSA-N 389.502 3.347 0 3 GGAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCc2ccco2)O3)cc1 61904051 MQZNSEPSAILRTM-JOCHJYFZSA-N 391.427 3.310 0 3 GGAF COc1cc2cc3c(cc2c2c1-c1ccc4c(c1[C@@H](O)N2C)OCO4)OCO3 2356491826 QRCWKBAFKDYSFR-OAQYLSRUSA-N 379.368 3.414 0 1 GGAF CC(=O)O[C@@H]1[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)CCCC(C)=C3C2)OC[C@H](O)[C@@H]1O 2356521912 QNWIDTXODBSVCO-YAHLJGPOSA-N 396.524 3.098 0 1 GGAF COc1cccc2c1N(C(C)=O)C13CCC4(CC1)[C@H](OC)CCN1CC[C@@]23[C@@H]14 2356672104 XEEOVAZKEUVSCZ-YUEGBKPASA-N 382.504 3.105 0 1 GGAF COc1cccc2nc(C[C@H]3CN(C(=O)C4CCCC4)CC[C@@H]3CC(=O)O)[nH]c12 2356695232 YNGUQQMSIGCVMT-CVEARBPZSA-N 399.491 3.244 0 1 GGAF Cn1ccnc1-c1ccc2c(c1)N(c1nc3c(s1)C(=O)NC(C)(C)C3)CCO2 40395833 FUBTZUIWWYCJRU-UHFFFAOYSA-N 395.488 3.139 0 1 GGAF Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(-n3cnc(C)c3)c2)cc1 1911574579 GFKHNUHEUMXRLU-UHFFFAOYSA-N 389.503 3.493 0 1 GGAF C[C@H](CN(C)C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1Cl 142963881 OQLDBOVPKFOUAF-MRVPVSSYSA-N 376.766 3.089 0 1 GGAF CCCNC(=O)Cc1ccc(Nc2nc(-c3ccccc3)ncc2C(N)=O)cc1 96938257 QNFLSLVGZOQIIK-UHFFFAOYSA-N 389.459 3.055 0 1 GGAF O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCCC2)cc1)c1ccccc1 95894881 KPHNWGVEMLSEHA-DNVJHFABSA-N 376.500 3.490 0 1 GGAF CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cccc(C(C)=O)c2)ON1C 95587677 LVMMQYLANCGNKM-HZPDHXFCSA-N 384.369 3.056 0 1 GGAF CCCCCC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H](O5)C1=O 299812483 ZIKBTZZAYKAEPP-SNJHDSHBSA-N 397.515 3.309 0 1 GGAF C[C@@H]1CN(c2ccc(F)nc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 473083646 OYWFMCXPXSPBMQ-LLVKDONJSA-N 387.802 3.266 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(O)nn1 587864618 NEQPKHYZFKCYFL-UHFFFAOYSA-N 378.310 3.152 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)C(O)O 587548696 QFBYJJFQXPOSKI-UTKZUKDTSA-N 398.798 3.213 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3c(c2)OCCO3)N1 587780270 ZPUQXNVJIVNRMV-XXFAHNHDSA-N 379.229 3.378 0 1 GGAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@@H]1[C@H]3C[C@@H]4[C@@H]1C1(OCCO1)[C@@H]1[C@H]4[C@@H]3[C@H]12 587536874 XUERYGKXJUQRQG-LRIPPOPNSA-N 390.479 3.400 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(C=C(C)N(CCCC(=O)O)C(=O)C1)CC2=O 587480867 WQBVTQJFPUPZSJ-OAQYLSRUSA-N 387.432 3.050 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)n[nH]c2C(=O)O)N1 587706950 TUSHLKDBKVHVKW-GCXOYZPQSA-N 388.624 3.287 0 1 GGAF CS(=O)(=O)Nc1ccccc1Cc1nc2cccc(Br)c2[nH]1 586950442 WGBFGEORGWNHIK-UHFFFAOYSA-N 380.267 3.288 0 1 GGAF Cc1cc(C)n(-c2ccc([C@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)cc2)n1 963526615 OMFLYWSNKRYCKG-GHTZIAJQSA-N 377.444 3.191 0 1 GGAF CCCc1ccc([C@]2(C(=O)OCC)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963026078 NEZGYRQFXNJYOD-XDHUDOTRSA-N 392.499 3.499 0 1 GGAF COc1cccc2cc3c(nc12)[C@@](C)(c1cccc(N2C(=O)C=CC2=O)c1)NCC3 963046467 JIFQDTQUDZCRGY-XMMPIXPASA-N 399.450 3.082 0 1 GGAF CN1C(=O)[C@@H](Cc2ccc(-c3cn[nH]c3)cc2)NC(=O)c2cc(Cl)ccc21 169705902 MPYUKVIQGNHMJS-QGZVFWFLSA-N 380.835 3.048 0 1 GGAF COc1ccc(CN2CCOc3ccc([C@](C)(O)CN(C)C)cc3C2)cc1C 11999114 JJFCZQQGKHAVJN-HSZRJFAPSA-N 384.520 3.167 0 1 GGAF biogenic COC(=O)c1ccc(CNCC[C@H]2CCC(=O)N2C2Cc3ccccc3C2)cc1 14957032 XWCDNDLFYDHXHD-OAQYLSRUSA-N 392.499 3.111 0 1 GGAF O=C(CNC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 28384280 CCKIOWBFVKGSOT-UHFFFAOYSA-N 399.922 3.098 0 1 GGAF COc1ccc2c(c1)cc(CNC(=O)c1cc3ccccc3o1)n2CC(=O)O 44459905 CYMXZVQAGCGDHU-UHFFFAOYSA-N 378.384 3.411 0 1 GGAF in-vitro O=C(/C=C/c1ccccc1)N[C@H](CC(=O)Nc1cccc2ccccc12)C(=O)O 45392057 MINRXUILZMVZAT-FBRRREGBSA-N 388.423 3.451 0 1 GGAF CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3)n2)CC1 82162856 LKYKVGMFFMKEEZ-UHFFFAOYSA-N 377.448 3.084 0 1 GGAF COc1cc([C@@H]2C3=C(O)CCCC3=Nc3nc(O)nc(O)c32)cc(OC)c1OC 104024158 PEQAANVDEYKVBG-CQSZACIVSA-N 399.403 3.128 0 1 GGAF CS(=O)(=O)Nc1cccc(CN2CC[C@H](Nc3cccc4cnccc34)C2)c1 114334948 ZRMHZVWQKSOWAN-IBGZPJMESA-N 396.516 3.293 0 1 GGAF O=C(O)c1ccc2c(c1)nc(NC1CC1)c1nc(NCc3ccccn3)ncc12 139838762 SOKLEVMMUKPRNW-UHFFFAOYSA-N 386.415 3.458 0 1 GGAF Brc1ccc(OCCO[C@H]2CCCC[C@H]2N2CCOCC2)cc1 145392075 ZRKQIHYNSZCMGE-MSOLQXFVSA-N 384.314 3.488 0 1 GGAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2cccnc2)c2cc[nH]c2c1=O 146484010 LPYJHGOLVXMURG-UHFFFAOYSA-N 395.440 3.124 0 1 GGAF CCc1cnc(N2CCC([C@H](C)CCNc3cc4c(cn3)C(=O)CO4)CC2)nc1 207694397 ITVGYKCGBLZFME-OAHLLOKOSA-N 395.507 3.364 0 1 GGAF Cc1cn2cc(NC(=O)c3ccc(N4CCN[C@@H](C)C4)cc3F)c(C)cc2n1 223354480 PPAJLPPPZFCQSD-AWEZNQCLSA-N 381.455 3.141 0 1 GGAF COc1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cn1 586937819 NOOSPRHDTTYMNK-MRXNPFEDSA-N 394.884 3.296 0 1 GGAF CC[C@@H](c1nc2c(C)ccnc2[nH]1)n1cc(I)c(C)n1 587185308 RQGBPRCZCSJXQC-NSHDSACASA-N 381.221 3.375 0 1 GGAF CC(C)(C)OC(=O)N(Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)C[C@@H]1CCCO1 587197201 LULDEUOOEUXPNQ-NSHDSACASA-N 387.440 3.061 0 1 GGAF O=C1Cc2nc3nc(O)nc(O)c3cc2[C@@H](c2cccc(C(F)(F)F)c2)C1 587368329 NPQNVJTYLYWVFR-LLVKDONJSA-N 375.306 3.102 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2NC(=O)c3ccccc3N2)N1 587792955 IYCZQMSOLXDLJQ-TVNTUTRRSA-N 390.256 3.345 0 1 GGAF CCOC(=O)C[C@]1(CCOC)N[C@H](C)Cc2cc(Br)c(F)cc21 587794206 OTRDXYQGXXWPFM-DIFFPNOSSA-N 388.277 3.307 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(O)cc2)(C(=O)O)N1 587832878 LABUGLVTMWHFKY-MLCYQJTMSA-N 394.240 3.351 0 1 GGAF Cn1cc(-c2cc3ccccn3c2[C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cn1 962906784 ZDRHUSJFQYXWIC-VQTJNVASSA-N 390.418 3.167 0 1 GGAF NC(=S)c1cccc(-c2cn(C[C@@H](CO)C(F)F)c3cc(CO)ccc23)c1 1857586784 NUMIBRPRBFMJLZ-HNNXBMFYSA-N 390.455 3.308 0 1 GGAF COc1ccc(-c2cnc3cnc(-c4ccc(C(=O)NC5CC5)cc4)cn23)cn1 1857591085 KGKHFNPUPMQAEK-UHFFFAOYSA-N 385.427 3.359 0 1 GGAF CN1C(=O)C[C@H](c2ccccc2)N=C1SCc1cn(-c2ccccc2)nn1 1911585430 MISUHWOOCZVMAS-GOSISDBHSA-N 377.473 3.460 0 1 GGAF CO[C@@H]1OC[C@]23[C@H](O)C[C@H](C)[C@]4(C[C@H](c5ccoc5)OC4=O)[C@@H]2CCC[C@@H]13 2356415420 KVKRTHRXHVCLRA-XBINPKIRSA-N 376.449 3.060 0 1 GGAF CC(=O)Oc1ccc([C@@H]2Oc3cc(OC(C)=O)ccc3C[C@@H]2OC(C)=O)cc1 2356454070 XTAYSFZADVNQKM-SFTDATJTSA-N 384.384 3.145 0 1 GGAF O=C(NC[C@H]1CCCO1)c1onc(CSc2ccc(Cl)cc2)c1C(=O)O 8672412 CUBJVOHKTWBMKC-LLVKDONJSA-N 396.852 3.227 0 3 GGAF COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3cscn3)C2)c1 12440422 INJGGQKLKPRJBH-HNNXBMFYSA-N 387.505 3.101 0 3 GGAF OCCNc1nc(Nc2ccccc2Oc2ccccc2)nc(N2CCCC2)n1 12509011 SOJHGFJRAQRFOT-UHFFFAOYSA-N 392.463 3.412 0 3 GGAF COc1cc(O)c([C@@H](CC(=O)N2CCCC2)c2ccc3c(c2)OCO3)c(OC)c1 13661311 WGQXFGMKJAECEF-INIZCTEOSA-N 399.443 3.283 0 3 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@@H]1c1ccc(C)cc1 95568801 GZPGDFAZDBJORF-LJQANCHMSA-N 389.448 3.369 0 3 GGAF O=C(O)C[C@H]1CCN(C(=O)c2ccccc2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356318577 BYUGCKVEHVFTMB-HZPDHXFCSA-N 395.434 3.498 0 1 GGAF Cc1cccc(O[C@@H]2COCCN(C(=O)c3cc(C)oc3C(F)(F)F)C2)n1 2356287855 QVHQYBUGFHELRR-ZDUSSCGKSA-N 384.354 3.230 0 1 GGAF CCCN1Cc2cc(-c3ccc(/C=C4/NC(=S)NC4=O)s3)ccc2C1=O 103237712 FCBNVQPCZZJZDP-OQLLNIDSSA-N 383.498 3.126 0 1 GGAF COc1cc2c(cc1OC)-c1c/c(=N/c3ccc(C)cc3C)n(C)c(=O)n1CC2 100788447 VXPPDSJBISYSNB-GYHWCHFESA-N 391.471 3.276 0 1 GGAF CCN(CCNC(=O)c1cc(Cl)c(N)cc1OC)Cc1cccc(OC)c1 28235946 GSKXYYVRZLXBKQ-UHFFFAOYSA-N 391.899 3.191 0 1 GGAF N=C(N)c1ccc(OCC2=CC=C[C@H](COc3ccc(C(=N)N)cc3)C2)cc1 28373498 LAYJBEARRDQYGZ-HNNXBMFYSA-N 376.460 3.215 0 1 GGAF CC(C)CS(=O)(=O)C[C@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1C 28890441 MKZKPRKZOJZROK-HNNXBMFYSA-N 379.309 3.158 0 1 GGAF O=C1NC(=O)/C(=C/c2ccc(OC[C@@H]3CCCN3c3ccccn3)cc2)S1 26575312 GRLCJTHTWOJWJS-ZKMNFCBKSA-N 381.457 3.453 0 1 GGAF in-vitro NC[C@@H](Cc1ccccc1)c1ccc2c(c1)CN(S(=O)(=O)CC1CC1)CC2 116860965 VQFROBTWUQSFMY-OAQYLSRUSA-N 384.545 3.070 0 1 GGAF CCCc1cc(O)cc(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 28252998 HACOSYGZFWKHGF-UHFFFAOYSA-N 387.443 3.402 0 1 GGAF N#Cc1cnc(C(=O)Nc2ccc(C3(O)CCOCC3)cc2C2=CCCCC2)[nH]1 146883582 QBJJMIMUEJADCL-UHFFFAOYSA-N 392.459 3.489 0 1 GGAF CC(=O)N1C[C@@H]2C[C@H]1CN2CCc1ccc(Oc2nc3ncccc3s2)cc1 95562942 QRMXENQNOMHOSJ-IRXDYDNUSA-N 394.500 3.331 0 1 GGAF CCc1nn(-c2ccccc2)c2cc(N3CC[C@H](N4CCNCC4)C3)ccc12 147348510 FIAHPLXXCQXTEA-FQEVSTJZSA-N 375.520 3.072 0 1 GGAF Cc1ccc(F)cc1NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1 95591956 CIFOAITVGYCRLA-UHFFFAOYSA-N 389.408 3.012 0 1 GGAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H](C)CN(C)C)cc1 299874407 BITGMUPIVJGTLF-CNDZOEFASA-N 395.503 3.243 0 1 GGAF CSc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12 653784828 DVGQDYYVGLUGNW-UHFFFAOYSA-N 375.457 3.412 0 1 GGAF CCn1nccc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657566 ZTLRSNRGPJDTLX-UHFFFAOYSA-N 380.354 3.247 0 1 GGAF COc1cc(Br)cnc1[C@H]1N[C@H](C)Cc2c(OC)ccc(OC)c21 963635108 LLGOBXFTKBBMEF-MGNBDDOMSA-N 393.281 3.494 0 1 GGAF CC(C)(C)OC(=O)N1CCC(F)([C@@H]2c3ccsc3CCN2C(N)=O)CC1 962711842 MPLDCWXWWCGZSE-AWEZNQCLSA-N 383.489 3.465 0 1 GGAF CC(C)(C)CC(=O)N1CCC2(CC1)C[C@H]2CNC(=O)N1Cc2ccncc2C1 1772648436 UIWIJQHEDGPZIR-SFHVURJKSA-N 384.524 3.172 0 1 GGAF NC(=O)CCCCn1nnc(-c2ccc(OCCCCc3ccccc3)cc2)n1 13452717 MPAKWRCWHCUNAM-UHFFFAOYSA-N 393.491 3.397 0 1 GGAF CC(=O)[C@@]1(C(=O)NCc2ccccc2)CC(c2ccccc2C(F)(F)F)=NO1 203474312 VKUQTHHLALAVKT-LJQANCHMSA-N 390.361 3.474 0 3 GGAF CCOc1ccc(-c2nc(C(N)=O)c3nc(S)n(-c4ccccc4)c3n2)cc1 1857533975 IYSDUVSUVSBIQX-UHFFFAOYSA-N 391.456 3.269 0 1 GGAF C[C@H]1c2cccc(-c3cn[nH]c3)c2C[C@H](CO)N1C(=O)Cc1c(F)cccc1F 1857618736 GVLDIDULEXHOQZ-DZGCQCFKSA-N 397.425 3.404 0 1 GGAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4205216 GGCKCPKZADUGGX-DJKXOVBDSA-N 385.895 3.498 0 1 GGAF COc1ccccc1CNC(=O)c1ccc2nc(N3CCOCC3)sc2c1 6806331 XTFCJADRRNUTMC-UHFFFAOYSA-N 383.473 3.072 0 3 GGAF O=C(Nc1ccc(Cl)c(Cl)c1)N1CCNC[C@H]1COc1cccnc1 114575373 AUDRSMHHBOAIOA-ZDUSSCGKSA-N 381.263 3.273 0 1 GGAF Brc1cc([C@H]2C[C@@H]3CC[C@@H]2N3)cnc1I 100047998 WAVPLZVAIHIFRR-XKSSXDPKSA-N 379.039 3.057 0 1 GGAF COc1ccc(Cc2cc(C3CCN(C(=O)C(C)(C)C)CC3)nc(N)n2)cc1 28761408 SJIOUUUPXFDTBW-UHFFFAOYSA-N 382.508 3.410 0 1 GGAF O=C(O)Cc1ccc2c(c1)C[C@@H](CNS(=O)(=O)c1ccc3ccccc3c1)C2 27329307 AUGFRAXHMKPAMH-INIZCTEOSA-N 395.480 3.160 0 1 GGAF CC1(C)N=C(N)N=C(N)N1OCCCSc1cc(Cl)ccc1Cl 27316353 IHGUFOLNKRMSPB-UHFFFAOYSA-N 376.313 3.088 0 1 GGAF C/C=C1/CN2[C@H]3C[C@@]45C(=Nc6c(OC)cc(OC)c(OC)c64)OC[C@H]3[C@H]1C[C@H]25 85798225 OYIKZKUMGCIROX-SVLGZIACSA-N 382.460 3.063 0 1 GGAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C1 82152264 JVBOXWQEHAPXIZ-HOTGVXAUSA-N 398.482 3.237 0 1 GGAF O=C(c1cccnc1)c1cc2c(-c3cccnc3)nn(-c3ccccc3)c2[nH]c1=O 96911162 BYSAGELZWFSIFQ-UHFFFAOYSA-N 393.406 3.402 0 1 GGAF COC(=O)[C@H](Cc1ccccc1)N1COc2ccc3c(C)cc(=O)oc3c2C1 36369597 QWIMBXJCUAKXNG-SFHVURJKSA-N 379.412 3.038 0 1 GGAF biogenic CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C[C@H](N)C(=O)O)cc1)CC2=O 587472318 GIYBGWKVNDIZRR-HTAPYJJXSA-N 383.444 3.180 0 1 GGAF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cn1 587649604 QZZRKWDLPNPTJG-UHFFFAOYSA-N 385.367 3.038 0 1 GGAF CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587508005 FCBLFSHDGVZODW-DHIUTWEWSA-N 399.487 3.268 0 1 GGAF O=C(O)Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O 587944733 GUEBWRPFJJFREN-UHFFFAOYSA-N 395.390 3.112 0 1 GGAF CCN(C(=O)Cc1c(C(=O)O)[nH]c2ccccc12)c1cc(OC)ccc1OC 2461801 MPFWLDZYDUQJAD-UHFFFAOYSA-N 382.416 3.479 0 3 GGAF C[C@H]1CCC[C@H](NC(=O)CCCn2c(=O)[nH]c3cc(Cl)ccc3c2=O)[C@@H]1C 4873293 XLNBYRSHUJNFNF-ZENOOKHLSA-N 391.899 3.064 0 1 GGAF Cc1nc(C)c(CN2CCN(Cc3ccc(Br)cc3)CC2)nc1C 28713660 IFIRMPSTBQOVDI-UHFFFAOYSA-N 389.341 3.482 0 1 GGAF CCCSc1nc(N(C)C)ccc1C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2 101550225 MEZAJLGYHJTWFV-OZZCHCHLSA-N 389.565 3.319 0 1 GGAF c1cc(-c2cnc(-c3ccc(C4=NCCCN4)cc3)o2)ccc1C1=NCCCN1 27646323 NMDCLHHCXHMOEC-UHFFFAOYSA-N 385.471 3.488 0 1 GGAF Cc1ccccc1CN1CCN(CC(=O)[C@@](O)(c2ccccc2)C2CCC2)CC1 22940387 AEMMCUXFNWMHGP-RUZDIDTESA-N 392.543 3.370 0 1 GGAF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@@H]1N2C 113333932 SIIICDNNMDMWCI-XGUBFFRZSA-N 385.245 3.031 0 1 GGAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(OC(C)=O)[C@@H]2CC=C(C)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@H]21 2356658236 LUDOQAPWTMIOHM-AGJMOPDBSA-N 390.476 3.350 0 1 GGAF COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@@H]1[C@@H](O2)OC(C)(C)[C@H]1O 14610765 LWPLUSZMJGIFAR-JBACZVJFSA-N 380.396 3.440 0 1 GGAF biogenic CCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205188 YXFRQIYRMBBLGF-IBGZPJMESA-N 396.535 3.449 0 1 GGAF CC(=O)NCCn1c(CC(C)(C)C)nc2c(NCc3cccc(F)c3)ncnc21 82184751 FJXNSXVSNXBJIL-UHFFFAOYSA-N 398.486 3.302 0 1 GGAF COc1ccc(NC(=O)[C@H](C)Nc2nc(O)c3cnn(C4CCCC4)c3n2)cc1 299823752 UBBCZBKJYNXHGT-LBPRGKRZSA-N 396.451 3.095 0 1 GGAF CC[C@H](C)[C@H]1CN(CCCC[C@H]2CNC(=N)N2CC2CCC(C)CC2)C(=N)N1 299862026 MKMOTATUMACDOS-KPZODNFCSA-N 390.620 3.446 0 1 GGAF COC(=O)[C@@]1(c2ccccc2Br)CC(=O)c2cc(C)cc(N)c2O1 587376798 KMFWFTPKGOLHCK-SFHVURJKSA-N 390.233 3.373 0 1 GGAF CO[C@H](C)COC1CCC(c2nc3ccc(CN4CCOCC4)cc3[nH]2)CC1 587952972 YIKGNNDSIFUOTI-IPJUCJBFSA-N 387.524 3.473 0 1 GGAF CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(F)cc21 587572029 QJHPKNDQYZAGQM-AVRDEDQJSA-N 391.354 3.365 0 1 GGAF COC(=O)c1cc(Br)c2[nH]c(Cc3cc(N)ccc3F)nc2c1 587140595 DKEBKBKTXHFEML-UHFFFAOYSA-N 378.201 3.424 0 1 GGAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN[C@H](C(=O)O)[C@H]1C4)-c1ccccc1C2=O 587096139 HAKCCISURCIQMT-KGFDFFDMSA-N 384.435 3.142 0 1 GGAF CC(C)CCOc1ccc(Br)cc1-c1nc2c(O)nc(=N)[nH]c2[nH]1 586982445 YDLKDMYDWWUAPU-UHFFFAOYSA-N 392.257 3.325 0 1 GGAF COC(=O)[C@@H]1[C@H](C)CC(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587803714 BOCWGLFWQWUEBF-UZBGLRBASA-N 398.272 3.106 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(c4cccc(N)c4C(=O)c4cccc(N)c41)[C@@H](C2)C3=O 587432275 JAQCCTKKRMDCMD-OWJWWREXSA-N 398.418 3.095 0 1 GGAF CC(=O)Nc1cccc2c1[C@]1(CC2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962717582 VBSTVNITQOHHKG-YLJYHZDGSA-N 388.389 3.481 0 1 GGAF COc1ccc(COC[C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962985100 AWAUAQGJRSWAPZ-JKSUJKDBSA-N 397.805 3.484 0 1 GGAF Cc1cc2c(cc1O)[C@@](C)(c1[nH]c(-c3ccccc3)nc1C)N[C@H](C(=O)O)C2 963474495 VCCWFMSLQDBZIA-JTSKRJEESA-N 377.444 3.262 0 1 GGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(Cc3cccc(Br)c3C2)N1 962907713 IPKAIUQKCKNONN-FUHWJXTLSA-N 376.225 3.181 0 1 GGAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@]2(CCc3cc(F)c(F)c(F)c32)N1 963232513 OFNVQRBPKYEJLH-IIBYNOLFSA-N 384.357 3.441 0 1 GGAF Cc1c(O)ccc2c1[C@@](C)(C[C@@H](CC(=O)O)c1ccccc1)N[C@H](C(=O)O)C2 963557971 ZBBCHOQYNVVMQQ-HYFFOGBASA-N 383.444 3.163 0 1 GGAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)[C@@H]1CCCNC1 1772602773 YJCSSRDCRZJHOU-WPBJZHHJSA-N 382.439 3.201 0 1 GGAF COc1c(CC=C(C)C)c2c(c(OC(C)=O)c1C(C)=O)C[C@H](C(C)(C)O)O2 1772620740 CMUGLDJTLLEUBT-MRXNPFEDSA-N 376.449 3.406 0 1 GGAF CC[C@@H](O)CNC(=O)c1sc2ncnc(N3CCCCCCC3)c2c1C 11880322 UDVZHGALGBKENF-CQSZACIVSA-N 376.526 3.271 0 1 GGAF COC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CC[C@@H]1c1ccc(Cl)cc1 13475015 IFWDICDPMVHTPU-QZTJIDSGSA-N 393.892 3.307 0 1 GGAF CC(C)[C@@H](CO)NC(=O)c1ccc2c3n(nc2c1)-c1ccc(Cl)cc1CO3 13657619 PTNKBYKNLUSAGD-QGZVFWFLSA-N 385.851 3.318 0 3 GGAF CCOC(=O)C1=C(c2ccccc2)c2cc(OC)ccc2O[C@H]1C(=O)OCC 13813703 MJPFCUJYDFIPTO-HXUWFJFHSA-N 382.412 3.384 0 1 GGAF CC[C@@H](c1ccccc1)c1n[nH]c2c1CN(C(=O)COc1cccnc1)CC2 23129186 WLXLCDIDNWCVJY-SFHVURJKSA-N 376.460 3.310 0 1 GGAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1cnc2ccccc2n1 117587474 TWZWKQOJYOAFKF-UHFFFAOYSA-N 377.448 3.141 0 1 GGAF O=C(CCCN1CCN(CC[C@H]2CC3=CC=C[C@H]3C2=O)CC1)c1ccc(F)cc1 101270917 RFZKUFSNWLGGQV-RBBKRZOGSA-N 396.506 3.498 0 1 GGAF Cn1cc(CN2C[C@H](F)[C@H](OCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cn1 2356299475 IDAFEOXLJPBULO-XJKSGUPXSA-N 397.376 3.054 0 1 GGAF COc1cc(CO)cc2c(-c3ccc4c(c3)[C@@](C)(O)N[C@H](C)C4)ccc(O)c12 2356709012 LGSVTHSJPJSFKH-JCQPUDPBSA-N 379.456 3.413 0 1 GGAF Cc1c(C(=O)NCc2ccc(Cl)cc2)[n+](=O)c2cc(Cl)ccc2n1O 64746406 HXOWTUOAIHYBJW-UHFFFAOYSA-O 379.223 3.338 0 1 GGAF CCc1cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)c(C)s1 72183042 VLFTWHOZHAMTTE-NRFANRHFSA-N 391.500 3.106 0 1 GGAF CO[C@H]1CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)C[C@H]1F 222737968 WBAMFNDJQOEJFN-PBHICJAKSA-N 399.474 3.417 0 1 GGAF in-vitro CCOC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(O)c2)N1C(C)=O 49808147 BTYXAYFKYZQQTA-TZIWHRDSSA-N 378.428 3.299 0 1 GGAF CC(C)CN(Cc1ccc(NCCO)cc1)S(=O)(=O)Cc1ccccc1 224303660 GXHGPYBASUQJDM-UHFFFAOYSA-N 376.522 3.079 0 1 GGAF CNS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)C(C)(C)O2)cc1Cl 138227617 DKWCELUDBRKOCS-UHFFFAOYSA-N 391.876 3.494 0 1 GGAF O=C(O)c1nc(-c2ccccc2)oc1Cc1ccc(OP(=O)(O)O)cc1 230816402 RWSUXWBLNYBURS-UHFFFAOYSA-N 375.273 3.102 0 1 GGAF O=S(=O)(c1ccc(F)c(F)c1)N1[C@H]2c3c[nH]nc3C[C@@H]1c1cccc(F)c12 96906455 SDAJQNSFCLHLOD-AEFFLSMTSA-N 391.374 3.218 0 1 GGAF OC12C[C@H]3C[C@@H](C1)CC(Nc1nc(N[C@H]4CC[C@H](O)CC4)ncc1Cl)(C3)C2 261086121 CPNVJHSWNCPSIP-XFEAJZGZSA-N 392.931 3.341 0 1 GGAF CN1CCN(c2nc3cc4c(cc3o2)CCN(C)C[C@H]4c2ccccc2)CC1 299825518 CQGFBLASKNNFBS-FQEVSTJZSA-N 376.504 3.199 0 1 GGAF CC(=O)[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)[C@H]1CCC(=O)N1 586989676 OKSSWOYYPDFGKK-QRWLVFNGSA-N 386.407 3.103 0 1 GGAF Brc1cnc2c(-c3nc4cc5c(cc4[nH]3)OCCCO5)cnn2c1 587009225 YBBPAFNNGGZLCY-UHFFFAOYSA-N 386.209 3.196 0 1 GGAF CCOC(=O)[C@]1(CC(N)=O)CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587508009 FCBLFSHDGVZODW-PKTZIBPZSA-N 399.487 3.268 0 1 GGAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](CCCC2OCCO2)N1 962699312 IOEHIXIJMSWILP-KBPBESRZSA-N 377.334 3.028 0 1 GGAF O=C(NCCOc1ccccc1F)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 11874811 LJYOMRPQMAOSBH-QGZVFWFLSA-N 376.472 3.140 0 3 GGAF O=C(Cc1cccc(F)c1)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 12725774 NZPGLIBQCALNJF-NRFANRHFSA-N 377.406 3.490 0 3 GGAF O=P(O)(O)[C@@H](CCCc1ccc(-c2ccccc2)cc1)[P@@](=O)(O)CO 13742090 UWJXVPCIZBZVJD-KRWDZBQOSA-N 384.305 3.400 0 1 GGAF CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(O)cc2)c2c1c(O)n(-c1ccccc1)c2O 169690070 ZYFJGXGUXWEZIS-AVRDEDQJSA-N 394.427 3.065 0 1 GGAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1cccc(-n2ccnc2)c1 169714456 YKFZZEOOTVVDDT-QUCCMNQESA-N 395.459 3.447 0 1 GGAF O=C(COCc1ccccc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 205229375 QSXOIXXGQHIPDW-RHSMWYFYSA-N 388.826 3.257 0 3 GGAF CCCCS[C@@H]1C[C@@H](c2ccc(C)cc2)N(S(C)(=O)=O)C[C@H]1C(=O)O 1857573839 PFTKWXQIELERIU-IXDOHACOSA-N 385.551 3.304 0 1 GGAF CCCCNC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2)nc2ccccn12 1857594893 CWORBOPLPJZUAX-OAHLLOKOSA-N 380.448 3.270 0 1 GGAF COc1cc(C(=O)c2cnn(-c3ccc(C)cc3C)c2N)cc(OC)c1OC 1857649553 FASRLPIVRNBOJM-UHFFFAOYSA-N 381.432 3.328 0 1 GGAF C[C@H]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)[C@@H]1C 6435914 JZMQQSXBXWGWQR-FRQCXROJSA-N 378.538 3.416 0 1 GGAF CCc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)c1 7807592 QIVKKCHLBIIWOR-IBGZPJMESA-N 388.489 3.049 0 1 GGAF Oc1nc2c(c3nc(-c4ccc(F)cc4)nn13)CN(Cc1ccccc1)CC2 13824552 RDWSNDFBNJHKMK-UHFFFAOYSA-N 375.407 3.194 0 1 GGAF CC(=O)OC[C@@]12CCC[C@]3(C)C(=O)O[C@H](C[C@@H](C)[C@]14CC[C@]1(C=COC1)O4)[C@@H]32 14972215 YIFBVEVXDQLBBA-XQCMQKAVSA-N 390.476 3.139 0 1 GGAF CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccc(Cl)cc2)ccc1=O 25421978 JITBSRKXKSELRE-HIFRSBDPSA-N 388.920 3.477 0 1 GGAF biogenic O=c1c2cc(F)c(-c3ccnc(CO)c3)cc2n(C2CC2)c2snc(O)c12 28570395 XWEKHFOAUICQEU-UHFFFAOYSA-N 383.404 3.345 0 1 GGAF O=P(O)(O)[C@@H](CCCc1ccc(Oc2ccccc2)cc1)S(=O)(=O)O 34514341 BZNZTTRCIBAXIH-MRXNPFEDSA-N 386.362 3.193 0 1 GGAF COc1ccc2c(c1)c1c(n2CC(=O)O)C(=S)N(Cc2ccccc2)CC1 73200093 AQRNXCAVWZCQSU-UHFFFAOYSA-N 380.469 3.468 0 1 GGAF COc1cc2nc(N3CCN(C)CC3)nc(NCCC(C)(C)C)c2cc1OC 82128900 RBVIUQRXELUBNZ-UHFFFAOYSA-N 387.528 3.247 0 1 GGAF O=C(OCCCCn1c(C2CC2)nc2c(NCC3CC3)ncnc21)C(F)(F)F 82187127 JXSHXXZIZVHOPW-UHFFFAOYSA-N 397.401 3.411 0 1 GGAF Cc1cccc(CC(=O)N2CCc3cc(-c4cn(C)c5ncnc(N)c45)ccc32)n1 96285835 VYZYOJULVVGQRS-UHFFFAOYSA-N 398.470 3.053 0 1 GGAF Cc1nc(N)sc1-c1nc(Nc2cccc(N3CCN(C)CC3)c2)ncc1F 103291584 LRPFDZCHJQTXPT-UHFFFAOYSA-N 399.499 3.125 0 1 GGAF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 140166215 NSHPHXHGRHSMIK-HBBSVCLOSA-N 395.521 3.303 0 1 GGAF CCC[C@@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](CO)c2ccccc2)cc1 144880369 VSLVWNLPPYDMFC-WTNAPCKOSA-N 385.504 3.427 0 1 GGAF Nc1ncc(-c2cc([C@@H]3[C@H]4CNC[C@H]43)n(CC(F)(F)F)n2)cc1C(F)(F)F 148071080 BJQKLNSJYHMULA-WOFXILAISA-N 391.319 3.041 0 1 GGAF COc1ccccc1/C=C1\CNC[C@@H]2C1=NC(=S)N[C@@H]2c1ccccc1OC 169729963 YMGDXRMOOMCDAL-PASBJYMKSA-N 393.512 3.377 0 1 GGAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@@H]2CCCC(F)(F)C2)cc1F 216270239 WYWJXLHRFBJRCK-SECBINFHSA-N 399.818 3.373 0 1 GGAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(C(=O)CO)CC3)cc12 226105055 OUWYPSQWPFNDDW-UHFFFAOYSA-N 383.423 3.076 0 1 GGAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1ccncc1 261134742 LUDBNTAEEWBPQP-SFHVURJKSA-N 391.427 3.406 0 1 GGAF C[C@@H](Oc1cc(-c2cnn(C(F)F)c2)cc2nscc12)[C@H]1CNC(=O)C1 473134403 BZKWGWDFLNUVMV-MWLCHTKSSA-N 378.404 3.458 0 1 GGAF Fc1cccc(Cn2nnc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2Cl)c1 587160331 BGGUDTYRJXYDLB-UHFFFAOYSA-N 385.786 3.433 0 1 GGAF C[C@@]1(c2ccc(C[C@H](N)C(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511175 NPSZQPNAZQANEO-CVDCTZTESA-N 379.456 3.400 0 1 GGAF CCc1ccc([C@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587612440 VUPVOWXCMVKZIE-CVDCTZTESA-N 392.407 3.122 0 1 GGAF CCOC(=O)/C(=C/N(C)C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587751938 CATGRIMUNWGTGH-ZNFDVOBESA-N 399.304 3.346 0 1 GGAF COc1cc(OC)nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587774635 NBQAXFDSEAPMHT-GLEZIHRCSA-N 382.233 3.019 0 1 GGAF CN1CCC[C@@H]1[C@@H]1CCCC[C@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963226312 LJSWEPOHGSORIH-JDLLUZBXSA-N 379.504 3.313 0 1 GGAF COc1cccc(CNC(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)c1OC 11944317 XLWAEQNRDSIUQF-GOSISDBHSA-N 388.508 3.139 0 3 GGAF CCc1ccc([C@@H]2C[C@@H]3CC[C@@H](N3)[C@@H]2C(=O)OC)cc1I 1487568 BSMPOYNWUIFFDN-WMHQRMGPSA-N 399.272 3.251 0 1 GGAF COc1cc(CCCN2CCNC[C@@H]2Cc2ccccc2)cc(OC)c1OC 61711156 RLAWQUOYYLPPDJ-FQEVSTJZSA-N 384.520 3.162 0 3 GGAF Nc1ccn2ncc(C(=O)Nc3ccnn3-c3cc(Cl)ccc3Cl)c2n1 113754330 MLUHNCCVOONEHK-UHFFFAOYSA-N 388.218 3.056 0 1 GGAF CN(C)c1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NCc2ccncc2)O3)cc1 61928734 XCMQZMMZBHGDDQ-QHCPKHFHSA-N 388.471 3.220 0 3 GGAF COc1cc2c(c(OC)c1OC)CCN1C(=O)c3c(ccc(OC)c3OC)C[C@@H]21 14765561 BDKSVKIXBUPEFA-HNNXBMFYSA-N 399.443 3.025 0 1 GGAF biogenic COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3c(OC)cc(OC)cc32)c1 40402551 JVQUQJFBSKOJCR-SFHVURJKSA-N 383.400 3.089 0 1 GGAF c1ccc(Cn2ccc3c(OC4CCN(Cc5cnc[nH]5)CC4)ncnc32)cc1 84602372 IBHSWFYQKOGWGF-UHFFFAOYSA-N 388.475 3.246 0 1 GGAF CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)[C@@H]1[C@H](O)c1ccccc1 49601585 GZVCWRAFPVCGPA-LEWJYISDSA-N 397.434 3.246 0 1 GGAF Cc1ccc(Oc2cncc(NCCCCO)n2)c(-n2nc3ccccc3n2)c1 82068618 IMCAGHPATIPJAI-UHFFFAOYSA-N 390.447 3.496 0 1 GGAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCCCO)cn1 141995074 ACHBHNFIMNZOOZ-UHFFFAOYSA-N 381.432 3.126 0 1 GGAF CCN(C)c1nccc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)OC)cc3)C2)n1 261104669 HFLZBRMALKCDGB-YJBOKZPZSA-N 399.495 3.007 0 1 GGAF COC1CCN(c2nccc(Nc3cc4c(ccc(=O)n4C(C)C)cn3)n2)CC1 299833426 KWQYBCWWSJELFO-UHFFFAOYSA-N 394.479 3.126 0 1 GGAF COC(=O)[C@@]1(C)CCc2ccccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443301 NVHHHVXHXOLMEJ-NLSFWIRASA-N 378.424 3.464 0 1 GGAF Ic1cnc2[nH]c(CCOCc3ccccc3)nc2c1 587566146 XPUAZCLKLMRXCI-UHFFFAOYSA-N 379.201 3.322 0 1 GGAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCCO3 586973973 SNZZVIZDJMRPTP-KRWDZBQOSA-N 383.473 3.445 0 1 GGAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 587937586 PPMSAGIGNXSSMK-YCRPNKLZSA-N 381.476 3.241 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4C[C@H](C)O[C@H](C)C4)nc1)[C@@H](C2)C3=O 587439461 UJLPKKRIUVZLPN-YXCXVMQESA-N 380.444 3.193 0 1 GGAF CC(C)(C)OC(=O)NC1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)CCC(O)CC1 587237811 YHQVFPUNHMGQBK-UHFFFAOYSA-N 393.415 3.055 0 1 GGAF CCOC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]n1 587795833 OTZSCYCNGTUBSX-GLEZIHRCSA-N 382.233 3.112 0 1 GGAF CCOc1cccc2cc([C@@]3(C)NCCc4c3c(C(C)C)nn4C)c(=O)oc12 962914362 SXKGROKSJVRLJO-JOCHJYFZSA-N 381.476 3.458 0 1 GGAF COc1ccc(Cn2c(=O)c(C(=O)NCC(C)C)cc3c(N)cccc32)cc1 1772651414 LBQIVSLRSQXHJR-UHFFFAOYSA-N 379.460 3.026 0 1 GGAF O=c1ccc(S(=O)(=O)c2ccccc2Cc2ccc3ccccc3c2)n[nH]1 11536211 SBRHCZKMFCAZFR-UHFFFAOYSA-N 376.437 3.347 0 1 GGAF C[C@H](C(=O)Nc1ccc(Cl)cn1)N(c1ccccc1Cl)S(C)(=O)=O 169304104 VIHLNRVJUSSLDL-SNVBAGLBSA-N 388.276 3.182 0 1 GGAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1cccc(-n2ccnc2)c1 169714457 YKFZZEOOTVVDDT-ICSRJNTNSA-N 395.459 3.447 0 1 GGAF CCCC[C@H](NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)C(N)=O 167968121 PPSLZOXGRKORCD-IBGZPJMESA-N 394.475 3.008 0 1 GGAF C[C@@H](N=c1c(C(N)=O)c[nH]c2ccc(-c3cccnc3)cc12)C1CCOCC1 1857595958 YKRXSAOWHZYRRL-CQSZACIVSA-N 376.460 3.045 0 1 GGAF CCc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N32)s1 1857649252 WNVDDMMDUVNDAO-UZLBHIALSA-N 379.485 3.107 0 1 GGAF Nc1ncnc2c1[C@@H]1[C@H](N3CCCC3)CCCCN1C(=O)N2c1ccccc1 103202487 LDTHFEOZWKFNBF-AEFFLSMTSA-N 378.480 3.322 0 1 GGAF CC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)c(OC(C)C)c3)nc2)C1=O 117693532 SWDQPUHZXXVHMN-MRXNPFEDSA-N 380.404 3.368 0 1 GGAF C[C@]1(O)CCN(C(=O)C2CCCCC2)[C@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356320415 FSIGGWGMMJHNFO-VIZSFHNOSA-N 384.520 3.186 0 1 GGAF O=C(Nc1cc2ccccc2cc1O[C@H]1CC[C@H](O)C1)c1cnn2cccnc12 113651485 AOIYNNISGBAALT-IRXDYDNUSA-N 388.427 3.427 0 1 GGAF O=C(O)/C=C/c1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1Cl 29247177 NGJLAUMTWASOIM-SOFGYWHQSA-N 398.850 3.451 0 1 GGAF CC=C(C)C(=O)O[C@H]1c2cc3ccc(=O)oc3cc2O[C@@H]1C(C)(C)OC(C)=O 2356575345 JSIFZCDOTCKEGQ-OALUTQOASA-N 386.400 3.446 0 1 GGAF COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)[C@H](C(C)C)n1cccc1 2356763454 JTNWNFZKDCSZLZ-ACRUOGEOSA-N 375.557 3.425 0 1 GGAF Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccc3c(c2N)OCO3)cc1 117584078 RBSSEPWIRLUHHT-UHFFFAOYSA-N 383.448 3.235 0 1 GGAF CC(C)C(=O)Nc1nc2c([nH]1)C[C@@H](c1cnc(NC(=O)c3ccccc3)[nH]1)CC2 2356860380 UEMGEMFUMMACSA-AWEZNQCLSA-N 392.463 3.252 0 1 GGAF Cn1cc(Nc2ncc(Cl)c(CCc3ccccc3C(C)(C)C(N)=O)n2)cn1 211023498 GGJRNPWQYMGFOS-UHFFFAOYSA-N 398.898 3.155 0 1 GGAF COc1ccc(CN2CCC([C@]3(c4ccccc4)CCC(=O)NC3=O)CC2)cc1 40424195 SCFDELZSHXDBOX-XMMPIXPASA-N 392.499 3.282 0 1 GGAF Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1N1CCC2(CCNCC2)C1=O 140534345 FWDIGXJMBTVNDB-TZIWHRDSSA-N 396.579 3.165 0 1 GGAF O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 95893441 GTTYHYNLUWOOHE-FDFHNCONSA-N 377.488 3.061 0 1 GGAF Cc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)CC3)ccc12 147352681 SVVBQFYQHDFSGJ-UHFFFAOYSA-N 375.520 3.208 0 1 GGAF Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(F)cc3Cl)N(C)C2=O)c(C)n1 95565844 TZAZYLKYJSBVHA-KRWDZBQOSA-N 390.846 3.048 0 1 GGAF COc1ccc(-n2ccc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1O 299825140 CVWMJJMVPNOROD-UHFFFAOYSA-N 383.400 3.448 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)N(C)C)[nH]2)N1 587789839 GCNOEUXBZSNTHM-JDNHERCYSA-N 380.261 3.242 0 1 GGAF COCC[C@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349993 QYZKNHBLSLKIGD-PZJWPPBQSA-N 388.391 3.229 0 1 GGAF CC(C)(C)OC(=O)N1CCC2(CCCc3cc4c(O)nc(O)nc4nc32)CC1 587556583 BKKRITBWLYMEJL-UHFFFAOYSA-N 386.452 3.041 0 1 GGAF COc1ccc2c(C)c(CCc3nc4ccnc(OC)c4[nH]3)c(=O)oc2c1C 586918902 SKJMTYFAJNXFEX-UHFFFAOYSA-N 379.416 3.484 0 1 GGAF O=C1C[C@@H]2C[C@]3(C[C@H]2CN1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 587349733 QNJKYQGFPKQTTK-DWXWKNJNSA-N 381.403 3.175 0 1 GGAF CS(=O)(=O)[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587606886 IZNGZJMINLKJLL-YXKFXFPPSA-N 388.441 3.080 0 1 GGAF O=C(O)/C=C/c1ccccc1-c1nc2cc(I)cnc2[nH]1 586878938 IOABVIQBOBESLL-AATRIKPKSA-N 391.168 3.327 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cccc(F)c12 587738275 MHXYTLVRTZUSJA-WNWIJWBNSA-N 379.204 3.457 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(N)ccc(N)c21 587390607 ODXZQXZZMYZIQQ-QHCPKHFHSA-N 385.423 3.195 0 1 GGAF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587235873 RLCJEKZUHZZEOD-RNFRBKRXSA-N 378.148 3.074 0 1 GGAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)c1 586935927 KUCGHDPOSOOYFU-UHFFFAOYSA-N 388.371 3.143 0 1 GGAF CCOC(=O)CC[C@]1(CC(=O)OCC)c2c(F)cccc2C[C@@H]2CCCN21 963099518 HYGLMBMCDBKWBZ-KKSFZXQISA-N 377.456 3.338 0 1 GGAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](c2cccc(F)c2)(c2ncco2)N1 963226455 DVCCUIYNBYJVRM-DENIHFKCSA-N 389.386 3.253 0 1 GGAF CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@H]2CCC[C@H]1CC(C(N)=O)C2 137932540 VSBPAZLSKLWBGS-YRFCHQJDSA-N 378.900 3.294 0 1 GGAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NC[C@H]2CCCO2)cc1F 1772575776 XPZJAEZVONHCRC-SECBINFHSA-N 391.877 3.327 0 1 GGAF O=C(CN1CCO[C@@H](COc2cccc(Cl)c2)C1)N1CCc2ccccc21 150192938 APCQYPHUPXTFSO-LJQANCHMSA-N 386.879 3.009 0 1 GGAF C[C@@H]1Cc2c(cnn2-c2ccccc2)C(=O)N(C2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)C1 169296040 ZORKFISLJDPJLY-WCECZUSBSA-N 391.515 3.446 0 1 GGAF O=C(Nc1ccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)cc1)c1cccnc1 164838690 OHEQIHKUDCODCQ-UHFFFAOYSA-N 382.387 3.057 0 1 GGAF CC[C@H](C)C(=O)Nc1nc2c([nH]1)[C@@H](C)c1[nH]c(NC(=O)C=C(C)C)nc1CC2 1857544728 ZZLFDROEVPWUTI-RYUDHWBXSA-N 384.484 3.273 0 1 GGAF CC(C)n1nccc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cccnc2C1 1857564358 NLYIMBQLRDDQSM-UHFFFAOYSA-N 379.420 3.170 0 1 GGAF CC(C)=CCOc1c2ccoc2c(OC[C@@H](O)C(C)(C)O)c2oc(=O)ccc12 1857569910 ICMNDVORODZDES-OAHLLOKOSA-N 388.416 3.395 0 1 GGAF CCOC(=O)c1cc2cc([C@H]3Nc4ccccc4C(=O)N3C)cc(C)c2oc1=O 1857745150 IPPDXQCRSWMUTR-IBGZPJMESA-N 392.411 3.474 0 1 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N(C)C 773227 VYYUOPAQKDLUCL-FPOVZHCZSA-N 398.459 3.283 0 1 GGAF COc1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@H]3C(=O)OC[C@@H]23)cc1OC 1679989 KRWVSKZISHTLQK-ZOCZFRKYSA-N 384.428 3.198 0 1 GGAF COc1ccccc1CNc1ccnc(-c2cccc(NS(C)(=O)=O)c2)n1 4257384 ARDHHDUGMFXQJG-UHFFFAOYSA-N 384.461 3.136 0 1 GGAF COc1ccc2c(c1)CC[C@H]1[C@@H]3CC(=O)N(CCN(C)C)C(=O)[C@@]3(C)CC[C@@H]21 6482851 NSHFMXJGYQEOFH-SRYPRDQNSA-N 384.520 3.078 0 1 GGAF CC(C)[C@]1(O)CC[C@]2(CO1)[C@H]1CCC3=C4[C@@H](CC3)[C@@H](C(=O)O)C[C@]42CN(C)C1 2356524465 FYMJJUNOXPGERO-NUGQTKNSSA-N 389.536 3.281 0 1 GGAF Cc1ccc(CCOCCOc2ccc(OC[C@H](O)CNC(C)C)cc2)cc1 29339607 ROBYZLOEHQPUGX-OAQYLSRUSA-N 387.520 3.371 0 1 GGAF COc1ccc(C2CCN(c3[nH]c(=O)[nH]c(=O)c3Cc3ccccc3)CC2)cc1 28708019 FGOHZTAIGPRGFU-UHFFFAOYSA-N 391.471 3.047 0 1 GGAF C[C@]1(O)CCC[C@H]2c3c(cc4oc(CO)cc(=O)c4c3OC3CCCC3)O[C@H]21 2356433864 XDMDSQDGVQLSAB-CUJSYCCXSA-N 386.444 3.386 0 1 GGAF C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(C5=CC=C[CH]N5)CC4)[C@@H]3C=C12 2356848208 XLCTVZVJWBCYPP-RHOLRMCJSA-N 396.555 3.081 0 1 GGAF Cc1cnc(N)c(CNC(=S)Nc2ccc(NC(=O)c3ccccc3)cc2)n1 71294380 YXQPOBXZIXMTFQ-UHFFFAOYSA-N 392.488 3.106 0 1 GGAF Nc1ncc(-c2cnn(CCO)c2)cc1-c1nc2cccc(-c3ccccn3)c2o1 84653800 VQAGNYIBYDXGLW-UHFFFAOYSA-N 398.426 3.390 0 1 GGAF NC1=N[C@](c2cccc(NC(=O)c3ccc(Cl)cn3)c2)(C(F)F)[C@@H]2C[C@@H]2O1 226081717 XXSQZGRYENIHEO-IAISJRAMSA-N 392.793 3.181 0 1 GGAF O=C([C@H]1CCCCN1C(=O)COc1ccccc1)N1CCc2ccccc2C1 95920878 CJQMUNJPWNNVDR-OAQYLSRUSA-N 378.472 3.031 0 1 GGAF in-vitro COc1ccc(/C=C/S(=O)(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1N 96908615 IHPLMPVEVZXKNL-SNAWJCMRSA-N 394.321 3.386 0 1 GGAF O=C(N[C@H]1CCC[C@@H]1O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 142608517 TWSSCEDFIRFLNF-ROUUACIJSA-N 397.406 3.098 0 1 GGAF O=[n+]1[nH]c2c(F)cnn2c2cc(OCc3ccccc3OC(F)(F)F)ccc21 377826568 VYWUDJCQQIRHPK-UHFFFAOYSA-N 395.292 3.347 0 1 GGAF CCS(=O)(=O)c1cccc(Cc2nc3c(C)c(Br)cnc3[nH]2)c1 586922003 JVTPVJBYNDBNOE-UHFFFAOYSA-N 394.294 3.413 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CC)(/C(=C/N(C)C)C(=O)OCC)CC2=O 587468705 JLPJVTTWBSUSPJ-WMJZSHNHSA-N 375.465 3.467 0 1 GGAF O=C(N[C@H](Cc1nc2ccc3ncccc3c2[nH]1)C(=O)O)OCc1ccccc1 587202668 KKTUTQIKYNFXAE-QGZVFWFLSA-N 390.399 3.033 0 1 GGAF COc1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)nn1-c1ccccc1F 587157266 ZGKQHIUCWJOQJE-UHFFFAOYSA-N 377.379 3.448 0 1 GGAF CCS(=O)(=O)c1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587156811 QDANZPYNHWTDTN-IBGZPJMESA-N 387.436 3.287 0 1 GGAF COC(=O)/C(=C/N(C)C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336143 LTEVGEWMEDJMTQ-APMDXMEISA-N 399.418 3.267 0 1 GGAF COc1cncc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c12 586984313 FAUJKZYBRLJHIC-CYBMUJFWSA-N 389.253 3.149 0 1 GGAF CCOC(=O)[C@@H]1CN(CC)CC[C@@]12c1ccsc1CCN2Cc1ccco1 962702540 AWEJPUWDOKUCOB-GHTZIAJQSA-N 388.533 3.500 0 1 GGAF COc1cc(C)cc2c1OCCC[C@@]21NCCc2ccc(C(=O)N(C)C)cc21 962936675 PIGBVDJUXSQKEQ-QHCPKHFHSA-N 380.488 3.267 0 1 GGAF C[C@]1(c2c[nH]c(C(=O)NC[C@H]3CCCO3)c2)c2c(F)cccc2C[C@H]2CCCN21 963103754 LLQIIIPQFIQUPT-PNCHPQGNSA-N 397.494 3.347 0 1 GGAF CCN(C(=O)C1=C(C(=O)NCc2ccc(C(=N)N)cc2)CCC1)c1ccccc1 13493939 JBQXKYODEYMILT-UHFFFAOYSA-N 390.487 3.120 0 1 GGAF CCCCn1ccc(-c2c(CO)c(CO)cc3cc(OC)c(OC)cc23)cc1=O 13756811 GLQDANQNRADIEB-UHFFFAOYSA-N 397.471 3.470 0 1 GGAF O=C(c1ccccc1)[C@@H]1CCCN(C(=O)[C@@H]2CC(Cc3ccccc3)=NO2)C1 15002559 CMFKGPYMGQEOEQ-CTNGQTDRSA-N 376.456 3.496 0 1 GGAF COCCN(C(=O)N1CCN(c2ccccc2C)CC1)c1ccc(OC)cc1 169303796 ZEHRRFGFKCHHCB-UHFFFAOYSA-N 383.492 3.399 0 1 GGAF C[C@@H](N=c1nc(-c2ccnc(C(F)(F)F)c2)[nH]c(=N[C@H](C)C2CC2)[nH]1)C1CC1 1857654987 OZTHBVUYLQRNQU-GHMZBOCLSA-N 392.429 3.217 0 1 GGAF Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)o1 1378505 SMINSNNLXJXGEE-QGZVFWFLSA-N 388.493 3.234 0 3 GGAF COc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 4872872 KIYPXUMZIKCCEB-GOSISDBHSA-N 392.452 3.016 0 3 GGAF CCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(F)cc1 6721046 FVHQDQQCMCDZAR-IRXDYDNUSA-N 397.479 3.370 0 1 GGAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)OCc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 100645123 CODRVQGKDHKTDZ-CGXNFDGLSA-N 379.456 3.438 0 1 GGAF COc1cc2c3c(c1OC(C)=O)[C@]1(C=C[C@H](OC(C)=O)CC1)C[C@@H]3N(C)CC2 2356469427 NDNMVOQTUROVEV-HOIFWPIMSA-N 385.460 3.073 0 1 GGAF COc1ccc(CNC[C@@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cn1 2356600704 VTXLENFDEQCXBD-QGZVFWFLSA-N 384.867 3.296 0 1 GGAF CC[C@@H](C)[C@@H](NC(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C)C(=O)O 6357780 YLGBROPVSMFEAZ-CWTRNNRKSA-N 397.427 3.249 0 1 GGAF biogenic CCN(CC)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccc(F)cc12 49032918 LLKUFDZFCZSANX-UHFFFAOYSA-N 399.451 3.096 0 1 GGAF CCCCC(=O)N1CC[C@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1 138106599 MNXDSLVDLSSUGR-XMSQKQJNSA-N 390.572 3.301 0 1 GGAF NC[C@H]1CCc2c(sc3ncnc(Nc4ccc5[nH]c(=O)sc5c4)c23)C1 225117345 YTBUEPPLXHDKNK-VIFPVBQESA-N 383.502 3.402 0 1 GGAF O=C(Nc1cc(C(F)(F)F)no1)c1ccc2cc3n(c2c1)CCCNC3=O 147716462 GSIGQJLXEHKFSM-UHFFFAOYSA-N 378.310 3.034 0 1 GGAF COc1ccc(CC(=O)O)cc1-c1ccc(F)c2c1CN(C(=O)C1CC1)CC2 144229676 SWUIGWXMGRBRKZ-UHFFFAOYSA-N 383.419 3.423 0 1 GGAF CC(C)CNc1nccc(NCCNc2cc(-c3ccccc3)nc(N)n2)n1 96906129 UTFWBUWETGGIEE-UHFFFAOYSA-N 378.484 3.108 0 1 GGAF Fc1cc(O[C@@H]2CCNCC2(F)F)c2nc(-c3nnc4ccccn34)ccc2c1 96175077 INYRWBVCPQQSGE-MRXNPFEDSA-N 399.376 3.460 0 1 GGAF O=S(=O)(NCC1CC1)c1ccc(NCC2CCOCC2)cc1C(F)(F)F 146009076 XJHHIIQDMWDELO-UHFFFAOYSA-N 392.443 3.232 0 1 GGAF CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(Cl)c(Cl)c4)cc23)CC1 95595253 RTJMINKPGXBRGV-UHFFFAOYSA-N 377.279 3.266 0 1 GGAF COc1ccc(Br)cc1[C@@H]1N(c2nccs2)C(=O)[C@@H]2CCCN21 250388935 AVIOAFPKRLMJBI-JSGCOSHPSA-N 394.294 3.424 0 1 GGAF COc1cc2cc(Oc3cc4oc(=O)ccc4cc3OC)c(=O)oc2cc1O 49067796 DBMXZBRRYCUSNN-UHFFFAOYSA-N 382.324 3.415 0 1 GGAF biogenic COc1cc(O)c(Cl)c2c1C(=O)O[C@@H](C)CC[C@@H](O)CCCCC(=O)C2 299822021 NCXOJEYZRDHVQA-RYUDHWBXSA-N 384.856 3.426 0 1 GGAF COc1cc(OC)c2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 587150249 QXIRMKXGKQXTNB-LBPRGKRZSA-N 387.386 3.374 0 1 GGAF COc1ccc2c(c1)NC(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587792056 KXPJRHIYTMHZJM-DYBLOJMWSA-N 391.240 3.327 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(S)nc2O)N1 587842069 DAAXUKOYRRYLNA-KWKYVRJSSA-N 384.274 3.170 0 1 GGAF O=C(c1ccn(C(F)F)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658162 ITROAEFPUICPFR-UHFFFAOYSA-N 384.317 3.483 0 1 GGAF COC(=O)c1cc2[nH]c(-c3ccccc3C(C(C)=O)C(C)=O)nc2cc1OC 586880668 AWPXOILEVNRAKP-UHFFFAOYSA-N 380.400 3.287 0 1 GGAF COc1ccccc1[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805756 HPJDCLKRMFAPPQ-XTZNXHDOSA-N 394.240 3.459 0 1 GGAF CCOc1ccc(OCC)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1 587925758 UDINRKCTAKTWJF-OAHLLOKOSA-N 375.421 3.229 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(C=C(C)N(C[C@@H]3CCCO3)C(=O)C1)CC2=O 587474657 GZLFWGYABZBYTF-OYHNWAKOSA-N 385.460 3.364 0 1 GGAF O=C([C@H]1Cc2ccccc2[C@H](c2cccc(Cn3cncn3)c2)N1)C(F)(F)F 962703455 BWWIQHKEIMYJQI-MSOLQXFVSA-N 386.377 3.062 0 1 GGAF CCCc1noc([C@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)n1 963174033 AKPGDNPKDZVMMY-YPMHNXCESA-N 389.761 3.383 0 1 GGAF Cc1ccc(CN(C)C(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)c(C)c1 5319930 HGPRYHVFKGRADO-WVKNIADZSA-N 385.504 3.136 0 1 GGAF CCCn1c(=O)c2c(nc3n2CC(c2ccccc2)=C3)n(Cc2ccccc2)c1=O 13648037 ULFOXVWHSODZOV-UHFFFAOYSA-N 398.466 3.372 0 1 GGAF COc1ccc(C[C@H]2CO[C@H](O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC 14642327 YSJWRVMJZYIPHE-JKSBSHDWSA-N 388.460 3.087 0 1 GGAF CC[C@@H](COC)NC(=O)CC[C@@]1(Cc2cccc3ccccc23)CCC(=O)N1 14887189 YLYBEVRGQMYRDI-CVDCTZTESA-N 382.504 3.353 0 1 GGAF CC(=O)N[C@H](C)Cc1ccc(C2CN(c3cnc(NC4CCC4)nc3)C2)cc1 150205157 OEIXQPXHNLHDCN-OAHLLOKOSA-N 379.508 3.112 0 1 GGAF CN1c2ccc(S(C)(=O)=O)cc2S[C@H]1NC(=O)CCCc1ccccc1 1857589900 KBSNJKDFMHAHBD-IBGZPJMESA-N 390.530 3.055 0 1 GGAF NC(=O)c1ccccc1-c1cccc(-c2cc(=O)cc(N3CCOCC3)s2)c1 102324813 CJUABWHWFYAPSU-UHFFFAOYSA-N 392.480 3.378 0 1 GGAF CC(=O)NC(=O)C1CCC([C@@H]2N=CC(c3cccc(Br)c3)=N2)CC1 101640647 HPXOJFQLTBFAHD-QWQCLYJRSA-N 390.281 3.118 0 1 GGAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc2[nH]c3c(c2c1)CCNC3=O 28820116 WZTSIAYZVDVAIZ-UHFFFAOYSA-N 377.488 3.400 0 1 GGAF c1cncc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)c1 28903457 VZXHLVQQUPAPMN-BJKOFHAPSA-N 393.531 3.465 0 1 GGAF C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2CO[C@@H](O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@@H]12 28001672 BIBMODCOJDZAGU-LBVUDUTQSA-N 388.504 3.439 0 1 GGAF CC[C@H]1CCCCN1c1ccnc(N2CCC(C(=O)NCc3ccco3)CC2)n1 65239700 WUYDLDFNENTBDW-SFHVURJKSA-N 397.523 3.371 0 1 GGAF CC(C)C[C@@H]1C(=O)N(NC(=O)CCc2ccccc2)CN1Cc1ccccc1 64553963 UMQVELXGUSPYCF-OAQYLSRUSA-N 379.504 3.367 0 1 GGAF CC[Si](CC)(c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1 210387479 RYGNIQVIVDSMMC-UHFFFAOYSA-N 376.525 3.029 0 1 GGAF CCOC(=O)C1=C(OCC)C(=O)O[C@H]1C1=C(Cl)c2ccc(C)c(C)c2OC1 1911577476 RDLOLEXURBBGMG-KRWDZBQOSA-N 392.835 3.425 0 1 GGAF C[C@@H](CO)NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 143235144 YLAUVZCWSMNZAX-LBPRGKRZSA-N 387.823 3.080 0 1 GGAF NC1=N[C@@]2(CO1)c1cc(-c3ccccc3F)ccc1OC1(CCC1)C21COC1 149411385 PQPCAOQHCPZEDG-QFIPXVFZSA-N 380.419 3.365 0 1 GGAF Cc1onc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1N 95771619 IWWGKTBWYJDMSO-UHFFFAOYSA-N 376.460 3.113 0 1 GGAF O=C(Nc1cccnc1C(=O)NCC1CCOCC1)c1ccc2ncsc2c1 95596073 NDALETICPCHNKS-UHFFFAOYSA-N 396.472 3.100 0 1 GGAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c2)c1 587933127 KOWHXJNVEASGMP-UHFFFAOYSA-N 395.440 3.259 0 1 GGAF N=c1[nH]c2nc(-c3cc(C(F)(F)F)ncc3Br)nc-2c(Cl)[nH]1 587114531 DKUXPCBGFCTGKN-UHFFFAOYSA-N 393.554 3.214 0 1 GGAF COC(=O)C[C@@H](C(=O)OC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107099 OXDHAHYOCGJSIJ-MRXNPFEDSA-N 375.380 3.266 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2nn[nH]n2)c1 587592433 HCKXYRGHFDLDGI-YLJYHZDGSA-N 386.367 3.275 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CC[C@@H](N)C(=O)O)(c1ccccc1)CC2=O 587471921 XGOYGQWTEQBFBG-VGSWGCGISA-N 383.444 3.398 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(Cn1nc(C)c(Br)c1C)[C@@H](C2)C3=O 587414811 XORFQTIJALHIKJ-UGSOOPFHSA-N 391.265 3.477 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N3C[C@@H]4CC[C@H](C3)O4)c2cn1)c1ccccc1 1772627691 AVQIHITZUVLAHS-BMFZPTHFSA-N 392.463 3.208 0 1 GGAF Cc1nonc1CC(=O)N1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 11932731 KOIIBFZIUSAQCO-CYBMUJFWSA-N 381.354 3.061 0 3 GGAF COc1cc(Cc2cnc(N)nc2N)ccc1OCCCOc1ccccc1 13532895 YXKHQJBOOHMHDH-UHFFFAOYSA-N 380.448 3.088 0 1 GGAF O=C(O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1 169304195 JJSWLBZAYHLUNB-UHFFFAOYSA-N 382.302 3.433 0 1 GGAF COC[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12 169686686 KWKYOARFCVYPFU-SECBINFHSA-N 390.440 3.395 0 1 GGAF COc1ccc(NC(=O)c2ccc(NC(=O)N3Cc4cccnc4C3)cc2)cn1 167443177 WTEIHJLLBLJTCX-UHFFFAOYSA-N 389.415 3.285 0 1 GGAF COc1ccc(-n2cc(COC(=O)NCCc3c[nH]c4ccccc34)nn2)cc1 203462893 HZPNSCBDJRWYFX-UHFFFAOYSA-N 391.431 3.226 0 3 GGAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CNC(=O)N1Cc2ccncc2C1 205799050 DLHHFYXNVIMXSY-KRWDZBQOSA-N 386.496 3.144 0 1 GGAF CCN1CCN(c2cc(Nc3ncc(-c4cccnc4)s3)nc(C)n2)CC1 1857557438 IMUILCLXLZZLHZ-UHFFFAOYSA-N 381.509 3.189 0 1 GGAF O=C(c1ccc(-c2nc(=O)c3c([nH]2)CCC3)s1)N1CCC(C(F)(F)F)CC1 1857597857 GQGHNHXCLCHVIH-UHFFFAOYSA-N 397.422 3.402 0 1 GGAF COc1ccc([C@@H]2C[C@H](c3cc(OC)c(OC)c(OC)c3)N3NN=NC3=N2)cc1 2913995 SCVULIPSZWUGMJ-JKSUJKDBSA-N 397.435 3.451 0 1 GGAF COc1ccc(Oc2ncc3nc(C)c(=O)n(Cc4cccs4)c3n2)cc1 4238235 PERALTUOAUXGIB-UHFFFAOYSA-N 380.429 3.406 0 1 GGAF COC(=O)C1=C2C=C(C)OC=C2[C@@](C)(O)C1=CC(=O)[C@H](C)CCCCCCO 14696180 WGHKHGDABDZHGB-PEBXRYMYSA-N 390.476 3.113 0 1 GGAF biogenic COc1c(O)c2c(c(O)c1C(C)C)C(=O)C(=O)[C@@H]1C(C)(C)CCC[C@@]21CO 14774141 JTJFUDHKPWGQGT-TZIWHRDSSA-N 376.449 3.052 0 1 GGAF biogenic C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc2ccccc2c1 27204031 BIVHPZLZDZBHDL-CQSZACIVSA-N 389.459 3.123 0 1 GGAF CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Sc1ccccc1)C(=O)O 27707909 FEHORUPRKICMFK-HOCLYGCPSA-N 396.509 3.245 0 1 GGAF C[C@H]([C@H](c1ccc2cc(OCC(C)(C)C(N)=O)ccc2c1)n1ccnc1)N(C)C 28332504 OZXGHWIQASWJQX-IIBYNOLFSA-N 394.519 3.466 0 1 GGAF CN1C(=O)N=C(Nc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)s2)C1=O 28902281 YHCTZRGKQUPDSF-UHFFFAOYSA-N 394.412 3.291 0 1 GGAF O=C(/C=C/c1cncnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1 71330671 MIOBCHZCTYUARQ-MDZDMXLPSA-N 392.503 3.329 0 1 GGAF CCc1nc(C(=O)NCc2ccc(C(=O)OCC(C)(C)N(C)C)cc2)cs1 82069904 UZQKBAMMKNGGLI-UHFFFAOYSA-N 389.521 3.133 0 1 GGAF CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2ccc(C(C)=O)cc2)ON1C 95587875 KERUXODKKFCNSP-CVEARBPZSA-N 384.369 3.056 0 1 GGAF C[C@]12Cc3[nH]nc(C(=O)Nc4cnn(Cc5ccccc5)c4)c3C[C@H]1C2(F)F 143788163 KWTDVQYZRZTJDG-APWZRJJASA-N 383.402 3.277 0 1 GGAF O=C1N[C@H](C(=O)O)Cc2ccc(cc2)OC/C=C\COc2ccc(Cl)c1c2 169313223 CLQFGFMZICVAGP-LPQSXRFUSA-N 387.819 3.093 0 1 GGAF Cc1cc(-c2ccc(C(F)(F)F)cc2)nc([C@H]2CC[C@@]3(CCN(C)C3=O)N2)n1 205661380 GCZUIPVRHLYYOG-BEFAXECRSA-N 390.409 3.496 0 1 GGAF Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2ccc3ccccc3c2)CC1 207210336 AQGCEEFKPPNGMT-UHFFFAOYSA-N 399.516 3.422 0 1 GGAF Cn1cc(-c2cc3c(-c4cc(N5CC[C@H](CF)C5)ncn4)n[nH]c3cc2F)cn1 225561682 JPNNRDVVXQOELM-GFCCVEGCSA-N 395.417 3.355 0 1 GGAF FC(F)(F)c1ccccc1CCn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1 225936735 HVUATMMGHIDJOR-UHFFFAOYSA-N 385.353 3.387 0 1 GGAF O=C(NCCO)[C@H]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1 253708575 VKIXPTPAIVWSBW-JOCQHMNTSA-N 381.398 3.478 0 1 GGAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3C[C@H]3C2)cc1F 261177375 VEPXWJMZPIAZHG-KWCYVHTRSA-N 381.469 3.208 0 1 GGAF CCCc1nnsc1C(=O)c1c(CO)oc2cc(Br)cnc12 587276128 JVTSFSYFOQNAKL-UHFFFAOYSA-N 382.239 3.118 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(c2ccccc2C)CC(=O)c2cc(C)cc(N)c2O1 587399010 HGVUGDNBGPKNCH-JOCHJYFZSA-N 381.428 3.269 0 1 GGAF COc1ccccc1C(=O)Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587554007 ILNKHQNAIJHXLQ-UHFFFAOYSA-N 388.383 3.364 0 1 GGAF COC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 587591540 VVTDGVXIAVFSRJ-UTKZUKDTSA-N 379.368 3.384 0 1 GGAF COc1ccc2c(c1)OC(=O)C[C@]21c2cccc(Br)c2CCN1C 963290097 SYFUZXQBXCEICU-IBGZPJMESA-N 388.261 3.498 0 1 GGAF O=S(=O)(c1ccc(F)cc1)c1cnc2ccc(F)cc2c1N1CCOCC1 1772610711 SDTSBYHFJOFSFG-UHFFFAOYSA-N 390.411 3.182 0 1 GGAF CN[C@@H](CCCN)CNC(=O)C(CCc1ccccc1)CCc1ccccc1 1857555795 XWOBPDLJHXIXSS-QHCPKHFHSA-N 381.564 3.311 0 1 GGAF COc1cccnc1C1CCN([C@H]2CCCN(c3cnc(C)cn3)CC2)CC1 1857571638 HGVSWTISVCYYPK-IBGZPJMESA-N 381.524 3.427 0 1 GGAF C[C@@]1(c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)CCSC(=N)N1 1857610419 BXIRVKRXOFHZBJ-KRWDZBQOSA-N 393.419 3.050 0 1 GGAF COc1cc(N2CC(NC(=O)c3ccc4sc(C)nc4c3)C2)c(Cl)cn1 1911580915 RDHSBLHZEXAIKJ-UHFFFAOYSA-N 388.880 3.280 0 1 GGAF COc1cc(CC[C@H](C[C@H](CCC[C@H](C)O)OC(C)=O)OC(C)=O)ccc1O 2356511286 FFDQTZNFWHSXQO-ZOCIIQOWSA-N 396.480 3.138 0 1 GGAF CC(C)[C@@H](OC(=O)CCCC(=O)Nc1nccs1)C(=O)NC1CCCCC1 4967492 DTALMRXEKCMXRE-QGZVFWFLSA-N 395.525 3.269 0 3 GGAF CCOC(=O)N1[C@@H]2CC[C@@H]1CC(N1CCC[C@H](NC(=O)c3ccccc3C)C1)C2 101505657 AJSHPFXXSLQSKN-IPMKNSEASA-N 399.535 3.341 0 1 GGAF CSC1=Nc2c(c(C)c(-c3ccccc3)n2CCCC(=O)O)C2=NC(=O)CN12 103006387 JKOQXFRERHCACQ-UHFFFAOYSA-N 396.472 3.281 0 1 GGAF Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCCC1 101500489 YQEBSIBQRPFUBN-XOIINTDNSA-N 391.479 3.115 0 1 GGAF COc1cccc2c1N(C(C)=O)[C@@]13CCC[C@]4(CC1)[C@H]1N(CC[C@H]4OC)CC[C@@]213 2356759474 SBYZZLKGHWVOBE-XJUGCWAMSA-N 396.531 3.495 0 1 GGAF CC(C)N1CCC[C@H](O)[C@@H](NC(=O)c2ccc(OCc3ccccc3)cc2)C1 2356809180 AOCMCLMWRVBFEG-VXKWHMMOSA-N 382.504 3.229 0 1 GGAF Cc1c(NCc2nnc(Nc3ccc(F)cc3)o2)c(=O)n(-c2ccccc2)n1C 73222376 BSSNWNXZPAFPRI-UHFFFAOYSA-N 394.410 3.362 0 1 GGAF CC(C)Oc1cc2c(-c3cc(N4CCN(C5CC5)CC4)ncn3)n[nH]c2cc1F 221293052 ANEJRQTZAILVQX-UHFFFAOYSA-N 396.470 3.231 0 1 GGAF Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2-c2nc(C)c(C)o2)c1 82173338 FGQZVVDYTSSKQF-KRWDZBQOSA-N 391.475 3.426 0 1 GGAF Cc1cccc(NC(=O)N2CCN(c3nc(N)nc4sc(F)cc34)CC2)c1 45357594 GOCKQMLRQMBOGX-UHFFFAOYSA-N 386.456 3.075 0 1 GGAF COc1cccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)c1OC 221947234 BBJAUSOOJCONTL-GOSISDBHSA-N 396.226 3.423 0 1 GGAF C[C@@H](Nc1nccc(N2CCOC2=O)n1)c1ncc(Oc2ccc(F)cc2)cn1 142121718 CFGMWTCUTVIBNE-GFCCVEGCSA-N 396.382 3.328 0 1 GGAF O=C1[C@H]2CS[C@@]3(C(=O)Nc4ccccc43)N2C(=O)N1Cc1ccc(Cl)cc1 96909012 POVQHLNFAUGINO-BEFAXECRSA-N 399.859 3.025 0 1 GGAF CCNC(=O)/C=C1/COc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc21 95582910 XVPYAQNTNOFACF-WQLSENKSSA-N 393.848 3.020 0 1 GGAF O=C(Nc1nc2ccc(N3C(=O)Cc4ccccc4C3=O)cc2s1)C1CC1 96929796 CIJVUWLWAYXNPE-UHFFFAOYSA-N 377.425 3.374 0 1 GGAF Cc1ccc(-c2cnc(N3CCSCC3)c(Cn3cc(C=O)nn3)c2)cc1 299862993 OHEAJVHAGLNVLM-UHFFFAOYSA-N 379.489 3.063 0 1 GGAF COC(=O)c1cc(Br)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n1C 587375473 CTHWJFYSIABJAG-AWEZNQCLSA-N 393.237 3.171 0 1 GGAF COc1ccc2c(n1)NCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592911 IGCGBNHCIICZRC-PGRDOPGGSA-N 390.395 3.469 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)OC(C)(C)C2)N1 587829331 BSZVEKGQHAYGMZ-VVVCHXIZSA-N 384.245 3.485 0 1 GGAF COC(=O)C[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586839 KBOGLRHBGRMEDU-KNQAVFIVSA-N 391.379 3.207 0 1 GGAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(NC(C)=O)cc1)[C@@H](C2)C3=O 587430536 VGWOBYJGOYNTKU-GJOLYLAISA-N 392.455 3.372 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1ccccc1=O 587864377 ZHGNTMNXJSEHPG-UHFFFAOYSA-N 377.322 3.080 0 1 GGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)cc1 586938907 LIQSXEADSDOXCQ-SNVBAGLBSA-N 391.424 3.144 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2cnn(C)c2)N1 587756008 CIMDXXGQQMIJMN-XLFHBGCDSA-N 390.260 3.335 0 1 GGAF NCCCN(CCCCN(CCCN)Cc1ccccc1)Cc1ccccc1 5834409 KTDTVIBDLIBKTM-UHFFFAOYSA-N 382.596 3.469 0 1 GGAF Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)o1 1857582663 ARYZFEKWMFZSBP-JKSUJKDBSA-N 384.867 3.209 0 1 GGAF COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(C(F)(F)F)c1 3815010 FLPMIYWQXAHVEM-UHFFFAOYSA-N 378.358 3.137 0 1 GGAF CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)COC(=O)c2cncc(Br)c2)C1 101114141 HVMFGZJHVDABCZ-KDOFPFPSSA-N 395.297 3.428 0 1 GGAF CCCNC(=O)Oc1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)cc1 66251831 NASCTMKWNGBKTM-UHFFFAOYSA-N 395.503 3.072 0 1 GGAF CC=C(C)C(=O)O[C@@H]1c2cc3ccc(=O)oc3cc2OC(C)(C)[C@H]1OC(C)=O 2356308024 KSKGUGPVFXWEJL-MOPGFXCFSA-N 386.400 3.446 0 1 GGAF C[C@@H](NC(=O)Cc1ccc(-c2nnn[nH]2)cc1)c1ccccc1N1CCCCC1 27562908 VEBIRGSBGDCOOI-MRXNPFEDSA-N 390.491 3.277 0 1 GGAF O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(O[C@@H]2C[C@@H]3CC[C@H]2C3)cc1F 216250557 SQZBUBXMBZTUJV-SUFBMKPHSA-N 393.480 3.493 0 1 GGAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1C[C@@H](O)CN1C(=O)c1cnccn1 72176692 IKTDDYJJPQAFAC-UZLBHIALSA-N 394.862 3.449 0 1 GGAF COc1cc(OC)c(S(=O)(=O)N(c2ccccc2)C(C)C)cc1NC(C)=O 73258633 VHHGJSMODFCCFA-UHFFFAOYSA-N 392.477 3.266 0 1 GGAF O=C(Nc1ccccc1)c1ccc(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)cc1 195150760 XZZJIUFSZHCKSM-BPIQYHPVSA-N 398.462 3.492 0 1 GGAF NC(=O)CCNC1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1 618011798 MUHHZPHSJIJKLJ-UHFFFAOYSA-N 380.467 3.408 0 1 GGAF C[C@@]1(c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)COc2ncnc(N)c2O1 261155266 PTURRLPBGFGSSH-RXSFTSLZSA-N 383.448 3.494 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NC[C@H](O)CC 299881587 OFOIALDYHPDZDC-OZOXKJRCSA-N 382.460 3.064 0 1 GGAF CCc1nnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1O 474609531 QPIQQSDEXTVVED-UHFFFAOYSA-N 391.378 3.491 0 1 GGAF COc1cc(OC)c2c(=O)cc(N3CCN(Cc4ccccc4)CC3)oc2c1 653813168 KUXJTCZFSOCGNH-UHFFFAOYSA-N 380.444 3.132 0 1 GGAF C[C@@H](F)[C@H](N)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587122821 GWPPODXXFUAMAU-PSLIRLAXSA-N 382.848 3.375 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(C(F)(F)F)cccc41)[C@@H](C2)C3=O 587419665 DNIMRBVBCXTASW-KPZWWZAWSA-N 375.302 3.309 0 1 GGAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587428903 MZQSCXJLFMNWIJ-MMIJAHHVSA-N 379.412 3.142 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc3nc(O)n(c23)CC[C@H]1N=O 587395894 VRRCAOLRVIPUMY-UZLBHIALSA-N 378.388 3.032 0 1 GGAF CCc1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2c1 586947418 XYJOUEMCZQXSQC-MRXNPFEDSA-N 385.489 3.250 0 1 GGAF CC(=O)N(C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(C)=O 587339107 RHBXDLYYQXKXDK-FPOVZHCZSA-N 385.391 3.044 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2nn[nH]n2)c1 587592430 HCKXYRGHFDLDGI-PXNSSMCTSA-N 386.367 3.275 0 1 GGAF Cc1nn(Cc2nc3cc4c(cc3[nH]2)OCCCO4)c(C)c1Br 586978729 DPKZLWDZMVXQAT-UHFFFAOYSA-N 377.242 3.348 0 1 GGAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc([C@H]4C[C@@H]4C(=O)OC)cc3)nc2c1 587785373 NTNAYYYKLLLHTQ-CVEARBPZSA-N 384.457 3.300 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(-c3cccc(OC)c3O)[nH]c2c1 587787513 WGRGYDXVYFDLIW-UHFFFAOYSA-N 375.450 3.023 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2cnccn2)c1 587583168 UHFNAXJCHCTZHM-GHTZIAJQSA-N 386.367 3.071 0 1 GGAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587233309 MQUNZSAFZFZVGG-STQMWFEESA-N 379.482 3.127 0 1 GGAF CCCCOc1cc2nc(-c3c[nH]c(=N)nc3O)[nH]c2cc1Br 587253593 MOSGJCVZUPKPGS-UHFFFAOYSA-N 378.230 3.079 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(CCOCc3ccccc3)[nH]c2c1 587566572 UDZCXEMYBSXKCP-UHFFFAOYSA-N 387.505 3.401 0 1 GGAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587926987 MUWNXTQLIOMIEC-ZDUSSCGKSA-N 376.434 3.369 0 1 GGAF COc1cc2c(cc1OC)C1(C=CN(c3ccc(N)cn3)C=C1)N(C)[C@@H](C)C2 962625664 JQRJMBLQDCSTMU-HNNXBMFYSA-N 378.476 3.300 0 1 GGAF COc1ccccc1C1([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)CCOCC1 963523319 GYUOHKFZKINHON-UWJYYQICSA-N 397.471 3.098 0 1 GGAF CCc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 13826204 JTSKGVLFYMMNKT-SFHVURJKSA-N 397.471 3.425 0 1 GGAF COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccsc3)C2)CC1 15064295 DEXTXPMNSUITCZ-SFHVURJKSA-N 385.533 3.184 0 3 GGAF Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3cccc(Cl)c3)n2)n[nH]1 169312513 XEEGMQIVYAJWAO-UHFFFAOYSA-N 398.902 3.401 0 1 GGAF Oc1ccc2c(c1)[C@@]1(c3ccccc3)CCN(CCN3CCOCC3)[C@@H](C2)C1 169314638 FIOVXXXOHSXUML-URXFXBBRSA-N 378.516 3.031 0 1 GGAF CN1c2ccc(S(C)(=O)=O)cc2S[C@@H]1NC(=O)CCCc1ccccc1 1857589901 KBSNJKDFMHAHBD-LJQANCHMSA-N 390.530 3.055 0 1 GGAF COc1cc([C@@]2(O)C=CCCc3c2ccc(OC)c3OC)cc(OC)c1OC 1857590276 SGEDNIORZTXUEG-QFIPXVFZSA-N 386.444 3.468 0 1 GGAF O=C(O)C[C@H](c1ccc2ccccc2c1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1857637804 KGBZAHJITQDBEC-GOSISDBHSA-N 389.363 3.350 0 1 GGAF CC(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1 1857655823 CFNYWFUVAXHZAX-UHFFFAOYSA-N 384.867 3.445 0 1 GGAF c1ccc(C2(c3ccccc3)COC[C@H](CO[C@H]3CN4CCC3CC4)O2)cc1 1857751354 HTYJHPPHBQRXGX-PKTZIBPZSA-N 379.500 3.456 0 1 GGAF COc1ccc(C2=CNN3C2=N[C@H](NCCCN(C)C)c2ccccc23)cc1 103150362 NOAMAVWLRJYWOJ-NRFANRHFSA-N 377.492 3.013 0 1 GGAF O=c1c2ccccc2sn1-c1ccc(S(=O)(=O)Nc2nccs2)cc1 27979955 OFPMFVRKJOLBDY-UHFFFAOYSA-N 389.483 3.310 0 1 GGAF CNC(=O)c1ccc(C)c(Nc2nc(NC)nc3c2cnn3-c2ccccc2)c1 29048654 XTTRZMGIAJVRQG-UHFFFAOYSA-N 387.447 3.269 0 1 GGAF CCOC(=O)[C@@H](CNC(C)=O)c1cn(C(=O)OCC)c2cc(Cl)ccc12 27849386 VFERSVAHABNQLZ-AWEZNQCLSA-N 380.828 3.082 0 1 GGAF CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC1C2CC3CC(C2)CC1C3 27564578 IISQHWVBKNMGBU-NFSPANSCSA-N 375.509 3.351 0 1 GGAF COc1ccc([C@@](C)(O)c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1 61903550 YQFZOTMBEXODNY-LJQANCHMSA-N 389.498 3.478 0 3 GGAF Cc1cccc(N[C@H](C)c2cc(C)cn3c(=O)cc(N4CCOCC4)nc23)c1 114827704 YOJDDYOKRDSTDE-QGZVFWFLSA-N 378.476 3.321 0 1 GGAF Cc1noc(-c2cc3cc(-c4nc(C(=O)NCC5CC5)[nH]c4C)ccc3[nH]2)n1 115833265 UFKWGCHPFWRHOB-UHFFFAOYSA-N 376.420 3.365 0 1 GGAF COC(=O)CC[C@]1(C)C2=C(CC[C@@H]1[C@H](O)CO)[C@@H]1CC[C@H](C(C)=O)[C@]1(C)CC2 2356464016 UTMLHIJEESKUJZ-NSNPDNRBSA-N 392.536 3.421 0 1 GGAF CC(C)[C@]1(O)CC[C@]2(CO1)[C@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)O)C[C@]42CN(C)C1 2356524464 FYMJJUNOXPGERO-IPVLWXBJSA-N 389.536 3.281 0 1 GGAF COc1cc(NC(=O)Nc2nc([C@H](N)C(C)C)cs2)cc(OC)c1OC 61903583 MMKMLJUCQUYGOA-CQSZACIVSA-N 380.470 3.469 0 3 GGAF CCCCCNc1nc(N(C)Cc2ccccc2)c2ncn(CC(=O)O)c2n1 66104458 JHCGVVUQBKIVMM-UHFFFAOYSA-N 382.468 3.149 0 1 GGAF CC(C)c1c(O)c2c3c(c1O)C(=O)C[C@H](C(C)(C)C(=O)O)[C@@]3(C)CC(=O)O2 13339253 QQOYFHLAUCOYFF-CFMSYZGJSA-N 376.405 3.101 0 1 GGAF biogenic NC1=N[C@H](c2ccccc2Cl)NC(NCCCOc2ccc(Cl)cc2)=N1 71295814 WTOHUYKWROMGIQ-INIZCTEOSA-N 392.290 3.325 0 1 GGAF O=C(NCc1cccc(F)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 43186186 UGERNPMSSMEKOE-UHFFFAOYSA-N 391.468 3.322 0 1 GGAF CCc1cccc2ccn(C[C@@H](O)CSc3nnnn3-c3ccccc3)c12 84706262 DBQTUXUHKHWHKW-GOSISDBHSA-N 379.489 3.333 0 1 GGAF COc1cc2c(cc1OC)CN(C(=O)COc1ccc3ccccc3n1)CC2 96272351 NXJKXNYSWXPPHY-UHFFFAOYSA-N 378.428 3.216 0 1 GGAF COc1ccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)cc1OC 621429351 MBJSTNLJDXLINJ-GOSISDBHSA-N 381.428 3.297 0 1 GGAF CCOC(=O)CCOCCCOCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587566207 AQYSRJKPHATDMA-UHFFFAOYSA-N 392.349 3.038 0 1 GGAF O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccc(Cl)c(C(F)(F)F)c1 587368022 GNTMUFVLEDAZAW-UHFFFAOYSA-N 398.728 3.289 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3cnccn3)c2)N1 587759726 MKPKLLNSZSUSHI-BTDLBPIBSA-N 388.244 3.188 0 1 GGAF CCn1cc(Br)c(Cc2nc3c(Br)ccnc3[nH]2)n1 587001652 UTVCZSLNZLRSNY-UHFFFAOYSA-N 385.063 3.290 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(F)cccc12 587571664 RNQRFHIALJUSIQ-IIBYNOLFSA-N 377.327 3.341 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3c(c2)ncn3C)N1 587759114 SJGRVLGANBJMFY-ABKXIKBNSA-N 375.245 3.494 0 1 GGAF COC(=O)[C@@H]1[C@H](C)CC(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587803713 BOCWGLFWQWUEBF-PZKJLGDBSA-N 398.272 3.106 0 1 GGAF CCn1nc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1C 587868927 XFBBIKPFFNCBIQ-UHFFFAOYSA-N 379.342 3.186 0 1 GGAF O=C(c1nc(-c2ccc(Cl)cc2)no1)n1ncc2ccc(Cl)cc2c1=O 587651921 RSGXTCQWLYOBPJ-UHFFFAOYSA-N 387.182 3.442 0 1 GGAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(O)ncnc3[nH]2)C[C@H]2CCCC[C@H]21 587027591 SHKKDJCHWODRFH-MCIONIFRSA-N 383.477 3.195 0 1 GGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2coc3ccccc3c2=O)N1 962977390 PGEGQLDSGQMXKH-SUMWQHHRSA-N 391.757 3.413 0 1 GGAF C[C@@]1(c2cccc(O)c2F)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962658539 DAMOCTFDUAWYDH-VXKWHMMOSA-N 380.419 3.442 0 1 GGAF COc1ccc([C@@]2(c3ccccn3)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962915979 WDWQMJPDXTXMHE-SIKLNZKXSA-N 378.403 3.120 0 1 GGAF CCOC(=O)c1cccc(-c2ccc3oc(N4CCOCC4)cc(=O)c3c2)c1 13677106 FFJOKTSJFPIVLN-UHFFFAOYSA-N 379.412 3.473 0 1 GGAF O=C(NCc1ccc(C(=O)Nc2ccccc2O)cc1)OCc1cccnc1 13799536 UBDYONSSQMDKGM-UHFFFAOYSA-N 377.400 3.466 0 1 GGAF Cc1c(OCCN2CCCCCC2)ccc2c(=O)cc(N3CCOCC3)oc12 13832080 BDASRWPCTUFLKI-UHFFFAOYSA-N 386.492 3.193 0 1 GGAF O=C(CCCCc1ccc2c(n1)NCCC2)NC[C@@H](C(=O)O)c1ccccc1 13860625 UTLUMEAXMVYDSF-LJQANCHMSA-N 381.476 3.137 0 1 GGAF Cc1cc2cc(F)ccc2n1CCNC(=O)c1ccc(N2CCOCC2)cc1 169351849 LBXOASVMEYYXBE-UHFFFAOYSA-N 381.451 3.355 0 1 GGAF COC(=O)[C@H](CS[C@@H]1CC(=O)/C(=C/C(C)C)[C@@H]1C)NC(=O)OC(C)(C)C 201443129 WTWHKOQLWITSAL-DWTSZJMXSA-N 385.526 3.346 0 1 GGAF N[C@@H]1CCCN(c2cncc(-c3n[nH]c4cnc(-c5cccnc5)cc34)c2)CC1 205251461 RKQKFCKHAXUXEH-QGZVFWFLSA-N 385.475 3.400 0 1 GGAF CCCCc1nc2c(=N)[nH]c3cc(C(=O)OC)ccc3c2n1CCCC(=O)OC 1857636409 PLHFZWXYBLRULH-UHFFFAOYSA-N 398.463 3.079 0 1 GGAF COc1ccccc1CC(=O)N1N=C(c2cccc(C)c2)C[C@@]1(O)C(F)(F)F 1857637022 LNSQNGROWRMEAP-LJQANCHMSA-N 392.377 3.434 0 1 GGAF O=C(CN1CCC(Cc2ccccc2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 7443094 GJLZYXGTQUWWHY-DEOSSOPVSA-N 391.559 3.332 0 1 GGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2[C@H](C)C(=O)Nc1ccccc1F 8604567 OZPNDLILRVGMRK-SNVBAGLBSA-N 396.344 3.401 0 1 GGAF Cc1nc2ccc(Br)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O 14947210 BDSOZOJTMBFQBY-UHFFFAOYSA-N 399.248 3.457 0 1 GGAF O=C1CC[C@@](c2ccccc2)(C2CCN(Cc3cccc(F)c3)CC2)C(=O)N1 26005397 QVSJHGJPOVSIAV-HSZRJFAPSA-N 380.463 3.412 0 1 GGAF O=C(NCCCN1CCN(C(=O)OCc2ccccc2)C1)OCc1ccccc1 26397329 YNNFYNFHUQMEMQ-UHFFFAOYSA-N 397.475 3.215 0 1 GGAF C[C@@H](C(=O)OCCOCCO)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27557238 BOAYZUJJJASQQY-OIISXLGYSA-N 392.517 3.437 0 1 GGAF CN1C(C(=O)Nc2ccccc2)=C(O)c2c(ccc3ccccc23)S1(=O)=O 28095224 VYMLWVHUZXCJLL-UHFFFAOYSA-N 380.425 3.339 0 1 GGAF Cc1cccc(Nc2nc(NCCc3ccc(O)c(C)c3)ncc2C(N)=O)c1 28640811 NMAXUCILUSJHEC-UHFFFAOYSA-N 377.448 3.296 0 1 GGAF COc1ccc(C(=O)NC(=O)Nc2cccc([C@@H]3CN4CCSC4=N3)c2)cc1 29401001 ORUCJIDVVQAVNY-KRWDZBQOSA-N 396.472 3.117 0 1 GGAF CCC[C@H](NCCC(C)C)C(=O)Nc1cn(C(C)(C)CN2CCCC2)cn1 71341704 UQOVKJIOGKKWIX-SFHVURJKSA-N 377.577 3.457 0 1 GGAF COCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1F 82217291 YLFXBHPYTLRTBC-HUUCEWRRSA-N 386.471 3.141 0 1 GGAF C[C@@H](Oc1cc(=O)oc2ccccc12)C(=O)Nc1cccc2c(=O)[nH]ccc12 95576178 SIQKIHDMMSXZHB-GFCCVEGCSA-N 376.368 3.041 0 1 GGAF COc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cccc3C)n(C)c(=O)n1CC2 100788782 PJMPCGMCHHTVIL-DARPEHSRSA-N 391.471 3.276 0 1 GGAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(/C=C/I)cc1)N2 100937164 GZWPHROGQGOESZ-FNEWWIHASA-N 397.256 3.489 0 1 GGAF COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3OC)C(C)=Nc3ncnn32)cc1 169688123 ZTLHXVCKKPQTCM-RBUKOAKNSA-N 391.431 3.246 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)C[C@H]4CCCO4)ncc23)ccn1 261156435 QBDMWBDEIGCWPX-DZGCQCFKSA-N 380.452 3.407 0 1 GGAF COc1ccc2c(c1OC)CCn1c[n+]3c(c1-2)-c1ccc(OC)c(OC)c1CC3 299828560 RQJHBTRNSNHZPJ-UHFFFAOYSA-N 393.463 3.256 0 1 GGAF CNC(=O)Oc1cccc2c1OC(C)(C)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587385576 DBHNBYXDLIQUAJ-OAQYLSRUSA-N 382.416 3.327 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cc(O)cc(Br)c1O)[C@@H](C2)C3=O 587411696 GADWYSJGOBABKA-BTDLBPIBSA-N 377.190 3.358 0 1 GGAF COC(=O)[C@@H]1SC[C@H](C)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587616601 FQLWNOUIFDLLEQ-ZVOHEDSVSA-N 386.425 3.017 0 1 GGAF COC(=O)C(=O)C[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587806481 JJGKPTCBKRVERY-QGHHPUGFSA-N 386.261 3.106 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 587871655 AWQYSHRTDNSWNM-HNNXBMFYSA-N 397.406 3.370 0 1 GGAF COc1ccccc1C(=O)Nc1cc2c(cc1N1CCC[C@H]1C)n(C)c(=O)n2C 653823146 JCCSEGJAEBNEDE-CQSZACIVSA-N 394.475 3.127 0 1 GGAF COc1cc(/C=C2\C(=O)Nc3ccc(C)cc32)ccc1OCC(=O)N1CCCC1 653905224 RZCICISEGUADCQ-PDGQHHTCSA-N 392.455 3.498 0 1 GGAF CCN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)[C@@H]1CCCNC1 1772587370 BKCJMJUNTPFDRN-OAHLLOKOSA-N 385.512 3.193 0 1 GGAF CCc1c(-c2ccc(N3CC[C@@H](C4(N)CCC4)C3)cc2)nc(O)c(C(=O)O)c1O 1772630359 UOLYBUGQWGQPDW-CQSZACIVSA-N 397.475 3.128 0 1 GGAF COCCOC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772640804 AKWGKFBTIIDLCH-GFCCVEGCSA-N 398.423 3.036 0 1 GGAF Cc1cccc(O[C@@H]2COCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)n1 2356755643 DIXYNQHHFIYYBC-INIZCTEOSA-N 380.366 3.329 0 1 GGAF CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 763155 LWMHIWKFVJDMLA-IEBWSBKVSA-N 386.492 3.340 0 1 GGAF CCC=CC[C@H](O)C=CC=CC=CC=C[C@H](O)[C@@H](O)CC=CCCC(=O)O 2356342279 OIWTWACQMDFHJG-ACRUOGEOSA-N 376.493 3.461 0 1 GGAF CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCO)cc1 4039762 VBAFNRBKJAHJQU-RBBKRZOGSA-N 395.503 3.076 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5cccnc54)ccc31)[C@H]1CC[C@H](C2)N1 100632882 NSQKZIIMCZAEHA-RHSMWYFYSA-N 392.484 3.114 0 1 GGAF CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCc2ccccc2)cc1 29223142 YRDNHMBECOYFJB-HXUWFJFHSA-N 386.517 3.109 0 1 GGAF O[C@@H](COC1CCN(Cc2ccccc2)CC1)CN1CCc2ccccc2C1 219755305 CIBTWVSNFZEMDZ-HSZRJFAPSA-N 380.532 3.087 0 1 GGAF NC1=NC2(CCCCC2)N(OCCCOc2cccc3ccccc23)C(N)=N1 45228684 VIHSCXXBYJZWFJ-UHFFFAOYSA-N 381.480 3.146 0 1 GGAF O=C1CC2(CCCCC2)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1 40406156 JUIIBSXRNFUWDF-UHFFFAOYSA-N 389.927 3.171 0 1 GGAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N[C@H](C)c2ccccc2)nc1 199946636 VGXRXUDIUUZHIM-CYBMUJFWSA-N 385.493 3.406 0 1 GGAF CCN1C(NCc2ccco2)=N[C@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@H]1C 195400155 QEWJMKNMGVFONC-AHRSYUTCSA-N 383.492 3.240 0 1 GGAF CC(=O)NCCn1c(C(C)C)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188706 KEZACOWRNKRJGC-HNNXBMFYSA-N 380.496 3.301 0 1 GGAF CCCCN(CCCC)Cc1cn(C[C@@H](O)COC(=O)C2CCCCC2)nn1 82149721 UCOZNZCDOWBCEI-HXUWFJFHSA-N 394.560 3.165 0 1 GGAF CSc1nn(-c2ccccc2)c2cc(N3CCN([C@H]4CCNC4)CC3)ccc12 147344741 RBSQJFZOPOFUJL-IBGZPJMESA-N 393.560 3.231 0 1 GGAF CC(C)(O)CC(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 146848835 BDNRABUDGIZFHB-UHFFFAOYSA-N 388.899 3.043 0 1 GGAF O=S(=O)(c1ccccc1)c1cc(-c2cc[nH]n2)c2oc3c(c2c1)CNCC3 147546897 KIVGRVDKFPJSSF-UHFFFAOYSA-N 379.441 3.301 0 1 GGAF CC(=O)O[C@@H]1CC[C@H]2[C@@]3(CC[C@@H](C)[C@@]2(CCC2=CCOC2=O)C(=O)O3)C1(C)C 238735486 ZEXXSAAZIFOGPU-DPMXDKJQSA-N 390.476 3.330 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(C(F)(F)F)n3)C2)cc1 261168676 SMNWPNIMCRECEH-BLLLJJGKSA-N 394.397 3.350 0 1 GGAF COc1ccc(C(=O)c2cc(-c3nc(OC)nc(OC)n3)c3ccccn23)cc1 473114290 MLSDZAKFFXLWPV-UHFFFAOYSA-N 390.399 3.048 0 1 GGAF COc1ccc(-c2cc(NC(=O)N=c3cc[nH]cc3)cc(OC)c2OC)cn1 653705318 MUJRZTGAKRMJAT-UHFFFAOYSA-N 380.404 3.235 0 1 GGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1 586929855 BOTZCLWYVLKMPY-UHFFFAOYSA-N 391.424 3.098 0 1 GGAF CC(C)(C)C(=O)Nc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cn1 587246469 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3.269 0 1 GGAF CC(C)CNC(=O)c1cnc(NCCCN(C)C)nc1NCC1CCCCC1 45300996 OCLGHYGXBNJBHZ-UHFFFAOYSA-N 390.576 3.218 0 1 GGAF COc1cc(-c2nc3c(NCC4CC4)ncnc3n2C[C@H]2CCCO2)ccc1O 82179454 QDYLESATNKTPAD-OAHLLOKOSA-N 395.463 3.208 0 1 GGAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccc(C(=O)O)n3)c2F)cn1 224555890 FEYHVQWAVUCXLX-UHFFFAOYSA-N 381.367 3.413 0 1 GGAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCCc1ccccc1F 82207725 DSIGGCGCRVQJST-PUWAVJQYSA-N 390.499 3.237 0 1 GGAF CCCCCC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195047222 NTMSESUVSZGDEE-SINADELZSA-N 383.488 3.006 0 1 GGAF CCOC(=O)/C(=C\N(C)C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587742366 QXZKPKXTNADFJU-IWIIIKDNSA-N 399.304 3.346 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCN1CCCCC1 587871756 BDUCXUAVAOODNI-UHFFFAOYSA-N 376.501 3.296 0 1 GGAF COc1ccc(S(=O)(=O)Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 586920341 IYMWWMHYLRWVON-UHFFFAOYSA-N 386.351 3.444 0 1 GGAF CCN1C(=O)C[C@@H](c2nc3cc(C(=O)OC)ncc3[nH]2)[C@@H]1c1ccccc1Cl 587060977 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395.937 3.087 0 1 GGAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1C1=CC=CN(C(=O)OC)C1 100050570 YCUYFOQAMDYRCV-XMGGNUPJSA-N 390.436 3.242 0 1 GGAF N=C(N)c1ccc2c(ccn2CC(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 28085901 MPJKWNUPXPRDHL-UHFFFAOYSA-N 388.471 3.047 0 1 GGAF Cc1cc2c(N3CCNCC3)cccc2n1S(=O)(=O)c1cccc(Cl)c1 28522368 RELSVNUYHIHVHB-UHFFFAOYSA-N 389.908 3.250 0 1 GGAF COc1c(Cl)c2c3c(c1OC)-c1cc4c(cc1C[C@H]3N(CO)CC2)OCO4 2356847399 IQEMBEGHYRBJRF-CYBMUJFWSA-N 389.835 3.158 0 1 GGAF CC[C@@H](CO)NC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1 141316582 IHBDJLQRENXTKF-KRWDZBQOSA-N 381.432 3.125 0 1 GGAF CC(=O)c1cc(C)ccc1OC[C@H](O)CN1CCN(c2ccc(C)cc2)CC1 96941816 YBEZEPWCPZYGMO-OAQYLSRUSA-N 382.504 3.068 0 1 GGAF CC1(C)/C=C\CC/C=C\C(=O)O[C@@H]2C[C@@H](CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 238756995 IJDZHPBNOHSATK-YRANXYQUSA-N 395.521 3.303 0 1 GGAF CCOC(=O)N1CCC(CN2CCC3(CC2)CN(CC)c2ncccc23)CC1 299840195 VUMGDEDSFXYDRS-UHFFFAOYSA-N 386.540 3.124 0 1 GGAF CC1(C)C[C@]2(C=C(C(=O)O)O1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 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384.520 3.234 0 1 GGAF CCc1ccc(NC(=O)N(Cc2ccc(OC)c(OC)c2)n2cnnc2)cc1 1857752734 GHQGVKIWZGRALK-UHFFFAOYSA-N 381.436 3.228 0 1 GGAF CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccc(Cl)cc2)=N1 102007375 SKORVOHLSVUVBH-GOEBONIOSA-N 394.814 3.296 0 1 GGAF O=C(O)CCC/C=C\C[C@H]1[C@@H](O)CC(=O)[C@H]1/C=C/[C@@H](O)CCc1ccccc1 100985380 OAQGPAZDRCBBLD-RVYBXUHPSA-N 386.488 3.304 0 1 GGAF COc1cc(OC)c([C@@H]2OC(c3ccc(N(C)C)cc3)=NN2C(C)=O)c(OC)c1 27518562 ZPWXWNNDBUFHGY-NRFANRHFSA-N 399.447 3.018 0 1 GGAF COc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCO)nc12 113651463 BPIKYAWMDLBRGP-UHFFFAOYSA-N 378.841 3.010 0 1 GGAF c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(NC2CCOCC2)n1 223663842 ZSBFTMPYIYVIIL-OAHLLOKOSA-N 396.520 3.118 0 1 GGAF COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CC2)[C@H](CO)N3C)cc1 95877449 QTNUUMMEOUFNGW-VJBMBRPKSA-N 392.499 3.473 0 1 GGAF Cc1nc(-c2nc(C(=O)NCCCCC(=O)NO)c(C3CC3)s2)sc1C 147365653 JXKBYDZRTXOBNH-UHFFFAOYSA-N 394.522 3.166 0 1 GGAF 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COc1cc2nc(-c3nccnc3I)[nH]c2cc1Cl 587186862 XIIXLSABIZFODF-UHFFFAOYSA-N 386.580 3.287 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2=CC=CN3C=CN[C@@H]23)N1 587790909 KDGUQADWEKDILR-HWOJHCLVSA-N 376.273 3.494 0 1 GGAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(N)=O)cc2[nH]1 587113004 NFHYFZOBVICXFG-SFHVURJKSA-N 390.365 3.080 0 1 GGAF Cc1ccc(-n2cnnc2SCc2nc3ccc(C(N)=O)cc3[nH]2)cc1Cl 586967876 GVZFVXZPPPSJTH-UHFFFAOYSA-N 398.879 3.497 0 1 GGAF Cn1c([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cnc1-c1ccccc1 963240278 YZZCHGGPKLGGFE-CTNGQTDRSA-N 384.439 3.324 0 1 GGAF Cc1c(O)ccc2c1[C@](C)(CSc1ccccc1C(=O)O)N[C@H](C(=O)O)C2 963554204 TYGOHCZEYSBYRQ-XOBRGWDASA-N 387.457 3.005 0 1 GGAF CCCN(C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21)S(C)(=O)=O 149595666 HFSMQOQJALMELO-HNNXBMFYSA-N 396.459 3.105 0 1 GGAF CCNC(=O)C1=Cc2ccc(OC)cc2O[C@@H]1c1cc(OC)c(OC)c(OC)c1 13553848 SJFYMZSCBFDLSJ-HXUWFJFHSA-N 399.443 3.374 0 1 GGAF C=CC(=O)N1CC=C[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 18142688 HHDMXLOVTSZBQV-OAQYLSRUSA-N 394.446 3.489 0 3 GGAF COc1ccccc1/C=C1\CNC[C@H]2C1=NC(=O)N[C@H]2c1ccccc1OC 169730014 KVPXGHJEZWPAPE-SQCZWCDGSA-N 377.444 3.212 0 1 GGAF CCOC(=O)[C@]12CCCC3=C1N(CCC3)C(=O)[C@@H](CC(=O)NCCC(C)C)C2 203472468 LDCRGDWSHNFFGU-JTSKRJEESA-N 390.524 3.169 0 3 GGAF OC[C@@H]1CCCCN1c1nc2ccccc2c(=NCCc2ccc(F)cc2)[nH]1 1857542443 SCHPUEQTGOIIQS-SFHVURJKSA-N 380.467 3.197 0 1 GGAF Cc1cc(N(C)C(=O)Cn2nnc(-c3ccccc3)n2)n(C2CCCCC2)n1 1857547688 LGKQKVPNNGROEQ-UHFFFAOYSA-N 379.468 3.013 0 1 GGAF CNC(=O)c1ccc2c(c1)nc(-c1cc(C)c(O)c(C)c1)n2CC1CCNCC1 1857563964 MYVXFHHUMMNNNX-UHFFFAOYSA-N 392.503 3.385 0 1 GGAF CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1ccc(Cl)cc1 7551088 UIGTWCXRJSOGMP-INIZCTEOSA-N 380.828 3.108 0 3 GGAF O=C(Nc1ccc(F)cc1)OCCN1CCN(Cc2ccccc2)CCC1=O 8680078 LNHLTYJKNJQOGK-UHFFFAOYSA-N 385.439 3.109 0 3 GGAF O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)CN[C@@H](CF)C2 29339936 JATJBEWEQNLJRG-OAHLLOKOSA-N 399.285 3.234 0 1 GGAF COc1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)cc1 117209472 QSHJSYZBWBFQIJ-ACJLOTCBSA-N 382.485 3.369 0 1 GGAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OCc2ccccc2)nc1 28569695 GXCYYMYECKQUNG-UHFFFAOYSA-N 397.378 3.269 0 1 GGAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(COCC)nc12 136396831 IZSCGZKYJYEHCE-UHFFFAOYSA-N 395.442 3.059 0 1 GGAF COc1cccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)c1O 49808520 ZIEVELVTQCELRW-UHFFFAOYSA-N 384.215 3.181 0 1 GGAF CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCN(Cc3ccc(CC(N)=O)cc3)CC1)C2 40898332 HGXNDHMWZLFGTN-ZYKOEDHHSA-N 383.580 3.483 0 1 GGAF C[C@@H](NS(C)(=O)=O)c1ccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1 143489700 JUONYSHFHZDWHI-FOIQADDNSA-N 392.496 3.009 0 1 GGAF CCCCCC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H](O5)C1=O 253638060 NTMSESUVSZGDEE-HAGLATJSSA-N 383.488 3.006 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(CCN3CCOCC3)c1C)O2 587389665 MRZQLPBCQDBROZ-NRFANRHFSA-N 383.492 3.034 0 1 GGAF COc1cc(Br)cc(C=O)c1OCc1nc2cccc(O)c2[nH]1 586980072 HNSMCICCPBJQRS-UHFFFAOYSA-N 377.194 3.431 0 1 GGAF Cc1nn(Cc2cc3c4c(cccc4n2)CC3)cc1I 587214312 XIPAYJLFEHCGOL-UHFFFAOYSA-N 375.213 3.491 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCn3nc(C(=O)O)cc32)N1 587797742 SGGVDMRYTIKHJH-VVVCHXIZSA-N 394.244 3.055 0 1 GGAF COc1cc(OC)c2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2c1 587040089 ZNWNLKBZYWSBNZ-UHFFFAOYSA-N 377.426 3.446 0 1 GGAF N[C@H](c1nc2ccc(I)cc2[nH]1)c1ccc(F)cc1F 587152144 ZHPKYJSIWCHOAA-ZDUSSCGKSA-N 385.155 3.494 0 1 GGAF COC[C@@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345213 YVNDUJXPBLYXPC-CTNGQTDRSA-N 382.391 3.166 0 1 GGAF CC(C)(C)NS(=O)(=O)c1ccccc1-n1ncc2ccc(Cl)cc2c1=O 587655199 VXSNTNXTJZBKDU-UHFFFAOYSA-N 391.880 3.116 0 1 GGAF O=C1CSC[C@@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)N1 587044136 PPYFWAOVXUXLFZ-QMMMGPOBSA-N 396.188 3.128 0 1 GGAF COC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2c(C(=O)O)cccc12 587638173 NDQHBSMBLSXUPK-UHFFFAOYSA-N 382.372 3.079 0 1 GGAF COC(=O)c1ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2n1 587204625 YAVMIJNARDHKLP-UHFFFAOYSA-N 395.419 3.262 0 1 GGAF CN(Cc1nc2c(Cl)cnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170191 OGGSWAKOPJKFFR-UHFFFAOYSA-N 389.239 3.225 0 1 GGAF CCO[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@]12CCCO2 587608363 KIYHFQQOACIJNW-UBBRYJJRSA-N 382.412 3.451 0 1 GGAF Cc1nc(Cl)c([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(Cl)n1 963230217 LXXZJIPJFWNJMP-ZFWWWQNUSA-N 389.242 3.328 0 1 GGAF CCn1nc(C)c([C@@]2(C)N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c1C 962630264 HSDMQNIOXMQYIR-SCLBCKFNSA-N 397.397 3.281 0 1 GGAF COc1ccc2c(c1O)[C@]13CCN(C)[C@@H](C2)[C@]1(O)C[C@@H]1c2ccccc2N[C@@H]1C3 169359526 IHRCRJPSYSWXEH-FPEWEHSHSA-N 392.499 3.002 0 1 GGAF CC(=O)c1c(O)c(Cc2c(O)c(C)c(C)oc2=O)c(O)c2c1OC(C)(C)C=C2 1857578126 BGUWRROHWIEZEN-UHFFFAOYSA-N 386.400 3.351 0 1 GGAF CS(=O)(=O)c1ccc2c(c1)[C@@H](O)[C@H]([C@H]1c3ccccc3-c3cncn31)CC2 1857581404 LFPGIHOPIHUZBZ-WMQCIHAUSA-N 380.469 3.152 0 1 GGAF CC[C@H](C)NC(=O)c1c(NC(=O)c2ccc(OC)cc2)nc2ccc(C)cn12 1857587109 VNWXZLDTNAKJOY-AWEZNQCLSA-N 380.448 3.432 0 1 GGAF COc1cccc(-c2nc(C(=O)NC[C@@H](O)c3ccccc3)c(C)o2)c1OC 1857645460 XLYCPINEMIZSEN-MRXNPFEDSA-N 382.416 3.131 0 1 GGAF CC(C)(C)OC(=O)C[C@@H]1CC=CCCC(=O)N[C@H](c2ccccc2)COC1=O 254133772 BJRLEQBLNKLHFN-ROUUACIJSA-N 387.476 3.475 0 1 GGAF COc1cc2c(cc1OC)[C@@H](C(=O)O)[C@@H](c1cn(C)c3ccccc13)N(C)C2=O 8659918 GNMFGIQXFQNRBA-WOJBJXKFSA-N 394.427 3.191 0 1 GGAF Cn1c(O)c(C2=NN=C(O)/C2=N\Nc2ccccc2Cl)c(=O)c2ccccc21 13409422 PBSYQAWAMXAAPE-UHFFFAOYSA-N 395.806 3.040 0 1 GGAF biogenic COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccc(Cl)cc2)ccc1=O 25421969 JVQOBXNMYROURK-ZBFHGGJFSA-N 386.879 3.151 0 1 GGAF biogenic CC[C@@H]1CCC[C@H](C2(CC(N)=O)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 29038576 BXPDPGQJBGTDAC-GDBMZVCRSA-N 384.929 3.317 0 1 GGAF CCn1cnc2c(N)nc(N(c3cccc(Cl)c3)[C@@H]3CCCC[C@@H]3N)nc21 29057142 JHLFDBSTLNYPFS-LSDHHAIUSA-N 385.903 3.490 0 1 GGAF COc1ccc(CNc2nc(Cl)c(SC)c(N3CCN(C)CC3)n2)cc1 29231472 TXJNAWKLGORABF-UHFFFAOYSA-N 393.944 3.224 0 1 GGAF COc1ccc(C(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)c(OC)c1 45303160 XMEKUWOZNZCBGI-UHFFFAOYSA-N 384.819 3.464 0 1 GGAF O=S(=O)(NCCCCN1CCc2ccccc2C1)c1cnc2ccccc2c1 73165004 DKNQSBIPPCOEBW-UHFFFAOYSA-N 395.528 3.352 0 1 GGAF CC(=O)NCCn1c(-c2ccccc2)nc2c(NCc3cccs3)ncnc21 82189996 OJUMJJRILNKKKR-UHFFFAOYSA-N 392.488 3.303 0 1 GGAF C[C@H]1CCCC[C@H]1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100309337 AGWNTSAXKRGTBH-JKAPWZSASA-N 378.472 3.307 0 1 GGAF NC(=O)c1ccccc1-c1ccc(-c2cc(=O)cc(N3CCOCC3)s2)cc1 101077035 SQLQYFJDUVQJLW-UHFFFAOYSA-N 392.480 3.378 0 1 GGAF O=C(NC1CC1)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1 114772079 LUJFKFPJDIZRFN-UHFFFAOYSA-N 378.432 3.075 0 1 GGAF CCCc1c(Cn2ccnc2-c2cccc(C(F)(F)F)n2)ncn2ncnc12 139696329 MBMGRIMXBHLVID-UHFFFAOYSA-N 387.369 3.402 0 1 GGAF C[C@H]1CCCN1[C@H]1CCN(c2ccc(N3CCCC4(CCNCC4)C3=O)cc2)C1 140570908 RYMSCPNGKFAFTD-UGKGYDQZSA-N 396.579 3.246 0 1 GGAF Ic1cnc2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 587034538 HBXYISVJFQRBFE-LLVKDONJSA-N 397.241 3.481 0 1 GGAF CS(=O)(=O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587077004 QPLFWSKEEUXYPH-MRXNPFEDSA-N 375.837 3.237 0 1 GGAF Cc1ccc2c3c(c4c(nc13)[C@@H]1CN[C@@H](C(=O)O)[C@@H]1CC4)-c1ccccc1C2=O 587096462 KAWLVSMHLAZJJR-NYFKNOIKSA-N 384.435 3.457 0 1 GGAF Cc1c(I)cnn1[C@H](C)c1nc2cc3c(cc2[nH]1)OCO3 587182162 MHUKMUVGRILEBP-MRVPVSSYSA-N 396.188 3.010 0 1 GGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(C)c(Br)cnc2[nH]1 587231787 QVKAAEKMKNBFPX-VXGBXAGGSA-N 395.301 3.065 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cc(=O)n(CC(C)C)[nH]1 587873220 WRRUBOVBOXIZHI-UHFFFAOYSA-N 386.427 3.117 0 1 GGAF CCN(c1ccc(-c2csc(CC(=O)OC(C)C)n2)cc1)S(C)(=O)=O 587923653 ZNVUOOQHUUSZGO-UHFFFAOYSA-N 382.507 3.090 0 1 GGAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@]2(CCc3cc(F)c(F)c(F)c32)N1 963232511 OFNVQRBPKYEJLH-IERDGZPVSA-N 384.357 3.441 0 1 GGAF COc1ccc([C@](C)(O)c2nc(N3CCSCC3)nc3ccccc23)cc1 1911572922 FYEWGTSHGZFLBR-NRFANRHFSA-N 381.501 3.447 0 1 GGAF CN1C(=O)[C@H]2C[C@@H](CN2C(=O)c2ccc(C(F)(F)F)cc2)Oc2ccccc21 2356302014 JXKMWURUEAEEAW-GOEBONIOSA-N 390.361 3.344 0 1 GGAF CN1[C@H]2C[C@H](O)[C@H]1[C@@H](Cc1ccccc1)[C@H](OC(=O)C=Cc1ccccc1)C2 2356486883 HZDNTTWETFPTAB-VZGLXOSZSA-N 377.484 3.308 0 1 GGAF COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)NCc1ccc(OC)cc1 2356763407 HNOPJBWOHKYBIM-FPOVZHCZSA-N 389.540 3.118 0 1 GGAF O=C(NCCCN1CCCC1=O)c1ccc2c(c1)NC(=O)c1ccccc1S2 5132753 XEBRRGPHRXWYGX-UHFFFAOYSA-N 395.484 3.146 0 3 GGAF C[C@@H]1Sc2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3)cc2NC1=O 6892761 WLDRONRNZZFRHQ-NSHDSACASA-N 396.921 3.294 0 3 GGAF C[C@]1(C(=O)Nc2ccc3ccccc3c2)CCC(=O)N1CCCn1ccnc1 199397504 RSEOACPGJQHNLL-JOCHJYFZSA-N 376.460 3.446 0 3 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NC[C@@H](O)CC 4151921 OFOIALDYHPDZDC-SCWSEQNSSA-N 382.460 3.064 0 1 GGAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)c2)cc1 4891782 ZDVNCHVIPKHPLT-YKLJGAPNSA-N 390.439 3.483 0 1 GGAF CC(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc1 4919692 PDBDMQSQDHUURG-QGZVFWFLSA-N 387.505 3.244 0 3 GGAF O=c1[nH]c2cc3cc(OCCCCS(=O)(=O)c4ccccc4)ccc3nc2[nH]1 6303882 PSFRCKHLCWZSJR-UHFFFAOYSA-N 397.456 3.037 0 1 GGAF CC(=O)NCCNC[C@@H]1C=C(C)[C@H](Cc2nnc(C(C)(C)C)o2)C[C@@H]1C(C)C 2356302397 UMFRGLNWKYKJII-GBESFXJTSA-N 390.572 3.490 0 1 GGAF Cc1ccc2c(n1)N(C)[C@@H](CO)CCN(Cc1ccc(OC(F)(F)F)cc1)C2 2356317768 RADWDJJKSOMTKT-QGZVFWFLSA-N 395.425 3.492 0 1 GGAF CO[C@H](C)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 28711433 WOUIMYHCKHCDBD-CJNGLKHVSA-N 397.410 3.212 0 1 GGAF CCCN1CC([N+](=O)[O-])=C2N(C[C@@H]3CCC[C@@H]3N2Cc2ccc(Cl)nc2)C1 35079199 TVLPSSZZIGNLEH-HOTGVXAUSA-N 391.903 3.150 0 1 GGAF CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cccc(F)c32)c1C 45356821 UQQZPUPMXFCRML-QINSGFPZSA-N 398.482 3.335 0 1 GGAF in-vivo C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)no1 82157110 KJXIHTKIAKOBON-KRWDZBQOSA-N 396.827 3.211 0 1 GGAF Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCCCC3)ccc1C2=O 49066425 VRRANJKMULPSHU-UHFFFAOYSA-N 385.471 3.428 0 1 GGAF C=CC(=O)Nc1cccc(CN=c2[nH]c(Nc3cn(C)nc3C)ncc2Cl)c1 473102992 MZGGLOKHOLOXNM-UHFFFAOYSA-N 397.870 3.074 0 1 GGAF Cc1csc([C@](O)(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)C(F)(F)F)n1 587093513 FQAHYKCCKNYJLH-CQSZACIVSA-N 389.330 3.158 0 1 GGAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(OC(F)(F)F)cccc3[nH]2)c1 586936517 QSWUZEIOYQXDCT-UHFFFAOYSA-N 388.371 3.143 0 1 GGAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)cnc2[nH]1 586939793 XBROHNGZCMIVOZ-AWEZNQCLSA-N 382.848 3.426 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2c1 586878234 BJFSXNCSLLGXMS-DHZHZOJOSA-N 399.472 3.406 0 1 GGAF CCn1cc(Br)c(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)n1 587001249 VFTCUKOGLOVIAW-UHFFFAOYSA-N 389.232 3.457 0 1 GGAF Cc1c(I)cnn1[C@H](C)c1nc2ccc(Cl)nc2[nH]1 587181755 BXSYSLSOGGYYBN-SSDOTTSWSA-N 387.612 3.330 0 1 GGAF CCOC(=O)N1CCN(c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)CC1 587398449 HIWPSPLLFJWLBX-SFHVURJKSA-N 399.447 3.155 0 1 GGAF C[C@]1([C@H]2C=C(C(=O)O)NN2c2ccccc2)c2c(F)cccc2C[C@H]2CCCN21 963103649 LUWVXDGEZYVJFP-LLBVYWAGSA-N 393.462 3.423 0 1 GGAF CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@@]1(C2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962964991 KLVZKEUZOPMGOP-URIBSUQFSA-N 399.821 3.323 0 1 GGAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H](c2ncccc2F)N1 962924874 OUCPVKWLHDDFSQ-OALUTQOASA-N 380.375 3.407 0 1 GGAF COC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)NCCc2ccc(O)cc21 963351637 HSANVEJEDMYCRV-LJQANCHMSA-N 394.254 3.221 0 1 GGAF Cc1nnc(SCC(=O)N2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)o1 11873861 WQNFEWLKKPSVEV-ZDUSSCGKSA-N 379.869 3.245 0 3 GGAF O=C(C1CCCCC1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1 13782322 DMLXNKWQCYDQHU-UHFFFAOYSA-N 381.524 3.176 0 1 GGAF O=C1CCc2ccc(OP(=O)(O)O)c(c2)Oc2ccc(cc2)/C=C/CO1 169296343 ZNWODBOIMZBRLP-OWOJBTEDSA-N 376.301 3.453 0 1 GGAF [11CH3]OC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(/C=C\I)cc1)N2 169353196 GZWPHROGQGOESZ-FNGJDBLQSA-N 396.256 3.489 0 1 GGAF C[C@]1(c2cc(NC(=O)c3ccc(C(F)F)cn3)ccc2F)N=C(N)OC[C@@H]1F 169702947 IJKRHLSQOCWFJH-KBXCAEBGSA-N 396.344 3.309 0 1 GGAF CCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)N1CCC1 206690873 FFCHKPWWGLJLIA-UHFFFAOYSA-N 385.508 3.269 0 1 GGAF CCOC(=O)/C(I)=C/c1cc(OC)c(OC)c(OC)c1 1630486 LNVIVYFKOQNPQL-POHAHGRESA-N 392.189 3.051 0 1 GGAF Cn1cc(/C=C2\C[C@@](CO)(COC(=O)C3CCCCC3)OC2=O)c2ccccc21 1857635304 DPQYCBYVJBHECV-XMQQHFNTSA-N 397.471 3.363 0 1 GGAF COc1ccc(NC(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)cc1OC 8599488 ZVNWXBXOXADYME-UHFFFAOYSA-N 380.448 3.435 0 1 GGAF CC(C)C(C/C=C1/C[C@@](CO)(COC(=O)c2ccccc2O)OC1=O)C(C)C 13704157 LOLIYBRBTHMUFG-FGWWRKRSSA-N 390.476 3.472 0 1 GGAF Cc1ncc2c(c1-c1noc(-c3cc[nH]n3)n1)CCN(C(=O)c1ccccc1)C2 19836887 QSXTYFFGMYXOKP-UHFFFAOYSA-N 386.415 3.029 0 1 GGAF CC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@@H]1CC(=O)NCc1cccnc1 25430141 MDBLSIVLQQPVHP-RTBURBONSA-N 397.519 3.350 0 1 GGAF biogenic Cc1cnc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cn1 28711624 JNYMLCUABTXSIQ-UHFFFAOYSA-N 394.853 3.312 0 1 GGAF CN1C(=N)N[C@](c2cccc(-c3cccc(Cl)c3)c2)(c2ncccn2)C1=O 84597213 HMRWGTILKDLNSD-HXUWFJFHSA-N 377.835 3.037 0 1 GGAF CCCNC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(C)=O 95895583 ICLDRKSGEYCSHN-BHDDXSALSA-N 399.535 3.028 0 1 GGAF CS(=O)(=O)N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1cc(Cl)cc(Cl)c1 100280175 CZZFCNQKPGOYMT-HFAKWTLXSA-N 391.320 3.064 0 1 GGAF OC[C@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl 103176137 JRKSKSQHBDTNPW-QGZVFWFLSA-N 380.231 3.257 0 1 GGAF CC(C)c1cccc(NC(=O)c2cccc(N3CCc4nc(N)ncc4C3)n2)c1 169710068 XHRIJFXLDOYWRA-UHFFFAOYSA-N 388.475 3.392 0 1 GGAF O=C(O)COc1ccc(Cl)cc1[C@H]1c2scnc2CCN1C(=O)C1CC1 218005905 QFLFZDOYIWCYDQ-INIZCTEOSA-N 392.864 3.144 0 1 GGAF CCc1ccc([C@@H]2C[C@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1I 253638804 BSMPOYNWUIFFDN-CLWVCHIJSA-N 399.272 3.251 0 1 GGAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)cc1 299875749 DKUQQVWAFYSFQU-CJRIRRAGSA-N 399.443 3.409 0 1 GGAF COc1ccc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2n1 587111316 AEUJYILWBYKJIP-QGZVFWFLSA-N 378.354 3.385 0 1 GGAF Cn1nc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(F)c1O 587155914 OKOQOQPEBUGVKS-UHFFFAOYSA-N 395.110 3.469 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(I)ccnc1F)O2 587387746 WHWCORYRVZDDAX-LBPRGKRZSA-N 398.175 3.422 0 1 GGAF CNC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570470 IYAJACCAVSEKDO-SIKLNZKXSA-N 377.396 3.174 0 1 GGAF CCCCCn1c(C)c(-c2cccc(C)c2)c(=O)n(CC(=O)NC(C)(C)C)c1=O 1772612130 OTIVQLQNRSKPHG-UHFFFAOYSA-N 399.535 3.399 0 1 GGAF Cc1cc(C(=O)N=c2cc[nH]cc2)n(Cc2csc(N3CCCCC3)n2)c1 1857606927 BTUPKOULYBTZLB-UHFFFAOYSA-N 381.505 3.361 0 1 GGAF C=Cc1oc2ccc(Br)cc2c(=O)c1CN(C)/C=C/C(=O)OC 1857768100 KMUDFIMFLWWCRF-BQYQJAHWSA-N 378.222 3.317 0 1 GGAF CC(=O)O[C@@H]1[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)CCCC(C)=C3C2)OC[C@@H](O)[C@H]1O 2356521909 QNWIDTXODBSVCO-LBXJCDLNSA-N 396.524 3.098 0 1 GGAF COc1ccc(/C=C/C2=C(C(=O)O)[C@@H](c3ccc(OC)cc3)NC(=S)N2)cc1 103172271 UQSXRGKTUXAZOC-GIHFNCESSA-N 396.468 3.275 0 1 GGAF COc1cccc2nc(C[C@@H]3CN(C(=O)CC(C)C)CC[C@H]3CC(=O)O)[nH]c12 2356302693 PHEFNBGABJMHOG-LSDHHAIUSA-N 387.480 3.100 0 1 GGAF Cc1oc(-c2ccco2)nc1CCOc1ccc(C[C@H]2OC(=O)NC2=O)cc1 29331575 YZZJCKZLQXSEOA-QGZVFWFLSA-N 382.372 3.042 0 1 GGAF O=C(c1ccoc1)N1CCN2C(=O)c3ccncc3[C@]12c1ccc(Cl)cc1 115091699 XEVBUKWSTVBPQI-HXUWFJFHSA-N 379.803 3.141 0 1 GGAF CC(C)Nc1nc(=O)c2cnn3c2n1CC=C3c1cccc(C(F)(F)F)c1 27518126 QLGIKHDANPHYHN-UHFFFAOYSA-N 375.354 3.335 0 1 GGAF COc1ccc(-c2cc(=O)c3cc(CN4CCOCC4)ccc3o2)cc1OC 45321278 YYTMRBYXKSHLJN-UHFFFAOYSA-N 381.428 3.309 0 1 GGAF CCCCN(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O 195362944 IEYDGXMDZLYIMH-UKAVVXHISA-N 380.488 3.013 0 1 GGAF COc1ccccc1-c1csc(N[C@@H](Cc2c[nH]cn2)C(=O)NC(C)C)n1 82192145 POFPKIWGZOXMPD-HNNXBMFYSA-N 385.493 3.090 0 1 GGAF COc1cc(OC)cc([C@@]2(C)C3=C(COC3=O)N(C)c3cc(OC)ccc32)c1 40901031 XWSYFFUYIUOZRQ-JOCHJYFZSA-N 381.428 3.279 0 1 GGAF C[C@H]1C(c2ccc3c(c2)NC(=O)CO3)=C(c2ccc(F)cc2)C(=O)N1C1CC1 96283368 OHUSXUGFNIRYCY-LBPRGKRZSA-N 378.403 3.461 0 1 GGAF CCOc1ccccc1[C@](N)(c1nc2ccc(CCO)cc2[nH]1)C(F)(F)F 587093028 QLDGZPJXTROFHK-SFHVURJKSA-N 379.382 3.261 0 1 GGAF CCOC(=O)C[C@@]1(CCOC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794204 OTRDXYQGXXWPFM-APPDUMDISA-N 388.277 3.307 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(O)cc2)(C(=O)O)N1 587832879 LABUGLVTMWHFKY-XTZNXHDOSA-N 394.240 3.351 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)n[nH]c2C(=O)O)N1 587706948 TUSHLKDBKVHVKW-BLTYZCFWSA-N 388.624 3.287 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(Cc3sc(C)nc3C)[nH]c2c1 587011103 GQXNCYLMMFAPKP-UHFFFAOYSA-N 378.523 3.305 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2c1 586908234 ZYHOTHXDMKHLBP-LDADJPATSA-N 397.456 3.262 0 1 GGAF Cc1cc2c[nH]nc2c2c1NC(=O)[C@]21c2cccc(Br)c2CCN1C 963279919 LHJMUQOUNTUVOM-IBGZPJMESA-N 397.276 3.317 0 1 GGAF COc1cc(OC)cc([C@@]2(c3ccccn3)c3ccsc3CCN2C(N)=O)c1 962703686 DVPKARQVPTZZCS-NRFANRHFSA-N 395.484 3.389 0 1 GGAF CC(=O)N(C)[C@H](C)[C@@]1(c2ccc3c(c2)OCO3)NCCc2cc(Cl)ccc21 963392432 ZYRVLPHHXGEJSV-ASSNKEHSSA-N 386.879 3.325 0 1 GGAF Cc1c(O)ccc2c1C1(CCC(C(=O)O)(c3ccccc3)CC1)N[C@H](C(=O)O)C2 963555194 VGEAGHRGBYNWRV-YTZBPGPESA-N 395.455 3.091 0 1 GGAF CC[C@]1(C2(C(=O)OC)CCC2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974701 LCZGIEHYVHMLQF-SGTLLEGYSA-N 387.810 3.166 0 1 GGAF Cc1cc(-c2cc3c(N[C@@H]4CC[C@](C)(N)C4(C)C)c(C(N)=O)cnn3c2)ccn1 1772650956 QBNPDTYLZZYINV-GCJKJVERSA-N 392.507 3.122 0 1 GGAF O=C(Nc1cccc(NC(=O)[C@@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)c1)c1ccccc1 13151248 RNLOQMMYJAGPOG-ZNLIYNOOSA-N 376.412 3.075 0 1 GGAF Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Br)cn1 13234515 SLNNDSMUKMTXJL-UHFFFAOYSA-N 382.221 3.037 0 1 GGAF Cc1ccc(S(=O)(=O)c2ccc(NC(=O)[C@](C)(O)C(F)(F)F)cc2)cc1 13760175 PZKSFZFNOIBOPY-INIZCTEOSA-N 387.379 3.080 0 1 GGAF CCCCN(CC)c1nc(C)nc2c1NCCN2c1ccc(OC)nc1OC 14975060 OKRBKOWKTDTHMA-UHFFFAOYSA-N 386.500 3.387 0 1 GGAF O=S(=O)(N[C@H]1[C@H]2CC[C@@]1(CO)Cc1ccccc1C2)c1ccc(Cl)s1 169365847 GYBDFFZMKZVVPY-KKXDTOCCSA-N 397.949 3.236 0 1 GGAF O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1c1ccccc1 1857544140 BYKZHQQWAMITQK-UHFFFAOYSA-N 396.450 3.495 0 1 GGAF CCOCCCNC(=O)c1csc(=Nc2cc(F)c(Cl)c(F)c2)[nH]1 1857550282 QIDNPQNVCRBUFP-UHFFFAOYSA-N 375.828 3.397 0 1 GGAF CN(C)CCNC(=O)c1ccc(-c2cn3c(-c4cccs4)cnc3cn2)cc1 1857588984 RIWURUQPTMTRQH-UHFFFAOYSA-N 391.500 3.416 0 1 GGAF CCCN(CCCc1ccc(O)c(OC)c1)[C@@H]1CCc2[nH]c(=N)sc2C1 1857591235 GKJWEBNCPUIVRF-OAHLLOKOSA-N 375.538 3.472 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N1CCOCC1 770854 VRVBWJDQFRSYSY-IEBWSBKVSA-N 386.473 3.097 0 1 GGAF CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4055148 QYIGWFDBHGMVLK-PKOBYXMFSA-N 389.883 3.483 0 1 GGAF O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1)N1CCCCCC1 4874099 IRZAXFGKENBQAS-QGZVFWFLSA-N 392.546 3.040 0 1 GGAF CCOCCCNC(=O)c1cnn2c(C)c(Cc3cccc(C)c3)c(C)nc12 6921143 ZELLXRWBGJMLBH-UHFFFAOYSA-N 380.492 3.402 0 1 GGAF CO[C@@H]1c2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)OC(C)(C)[C@@H]1O 13311959 QLZWONVOGYYLGJ-WOJBJXKFSA-N 384.384 3.091 0 1 GGAF biogenic COc1cnc(C[S@@](=O)c2nc3cc(OC(F)F)ccc3[nH]2)c(C)c1OC 13451968 WTHPKXVBOMLIIH-MHZLTWQESA-N 397.403 3.193 0 1 GGAF COc1c2c3c(c(OC)c1OC)-c1cc4c(cc1C[C@H]3N(C(C)=O)CC2)OCO4 14652929 GWCVYMLSGTZAHQ-OAHLLOKOSA-N 397.427 3.110 0 1 GGAF biogenic OC1(c2ccc3c(c2)OCO3)CCC(N2CCN(Cc3ccccc3)CC2)CC1 22442535 QWOWPFGONZKUAH-UHFFFAOYSA-N 394.515 3.363 0 1 GGAF O=c1cc(-c2ccccc2F)nc(-c2cccc(CN3CCC[C@H](O)C3)c2)[nH]1 23311717 VLWKZUJUOMJAPE-KRWDZBQOSA-N 379.435 3.200 0 1 GGAF O=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)[C@@H](c2ccccc2)N1 27899425 WIIUOCVJCVDAMU-HSZRJFAPSA-N 389.499 3.433 0 1 GGAF CCCOc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 28949363 XFBNNSHVGYTYEU-UHFFFAOYSA-N 385.493 3.139 0 1 GGAF CC(C)(C)C(=O)C(=O)N1[C@H](C(=O)OCCCc2ccccc2)CSC1(C)C 38394403 SPTHYMVSCVJAOF-INIZCTEOSA-N 391.533 3.458 0 1 GGAF Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC2CCOCC2)n1 39960777 KCRDZSBFTTVRLG-UHOSZYNNSA-N 398.576 3.460 0 1 GGAF biogenic CNC(=O)c1ccc([C@@]2(C)SC(N[C@@H](C)c3ccc(F)cc3)=NC2=O)cc1 40848110 HLKILUBKCZMAKT-FKIZINRSSA-N 385.464 3.381 0 1 GGAF O=C1OC2(CCC(C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cccnc21 45353068 CHVWLHQBPZRRKI-UHFFFAOYSA-N 388.427 3.462 0 1 GGAF C=Cn1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(O[C@@H]3CCOC3)nc21 84729011 AKGYQVDAWZFCAX-CQSZACIVSA-N 399.391 3.086 0 1 GGAF c1cc2[nH]nc(-c3ccc4ncn(C5COC5)c4c3)c2c(OC2CCOCC2)n1 114771585 PPVIIYWSFUTXKI-UHFFFAOYSA-N 391.431 3.104 0 1 GGAF CN(C)[C@@H]1CCN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 144753690 VWZHWGNVDBOXOC-JLTOFOAXSA-N 390.405 3.241 0 1 GGAF CCOc1cnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)c1 169709158 GKJLTCHICPRXCL-KBXCAEBGSA-N 387.455 3.474 0 1 GGAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CNC(=O)c1cc2cnccc2[nH]1 205802680 VZVMYEUFFHYQQI-HNNXBMFYSA-N 384.480 3.330 0 1 GGAF C[C@H]1Cn2c(nnc2-c2cnccn2)CN1C(=O)c1cccc(Cl)c1Cl 474609638 RSIPEUHWMRBWAI-JTQLQIEISA-N 389.246 3.086 0 1 GGAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cncnc3[nH]2)C[C@H]2CCCC[C@@H]21 586960737 NZKSTHCDPVGIJT-COXVUDFISA-N 383.477 3.047 0 1 GGAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587151011 OGFYKSPXJGGGEV-SNVBAGLBSA-N 381.404 3.231 0 1 GGAF CCOC(=O)CNc1ccc(-c2nc3cc(CC(=O)OCC)ccc3[nH]2)cc1 587225296 PIGJPLSREZTCLY-UHFFFAOYSA-N 381.432 3.311 0 1 GGAF C[C@@]1(c2cc(C(=O)O)no2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347885 QLEUFUCIUULONU-XLIONFOSSA-N 383.331 3.492 0 1 GGAF CCOC(=O)C[C@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440667 CEFWOYLPTIELQD-VGOFRKELSA-N 382.412 3.300 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1ccccc1F)CC2=O 587465530 FLOGSXCHYGPCPU-HXUWFJFHSA-N 392.448 3.389 0 1 GGAF CCn1ncc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)c1C 587648672 FDORRASQDQLGFV-UHFFFAOYSA-N 399.394 3.346 0 1 GGAF COc1cc(/C=C/C(=O)NC2CCN(Cc3ccccc3)CC2)cc(OC)c1O 653870728 MLVPIUSEQXVGRL-CMDGGOBGSA-N 396.487 3.203 0 1 GGAF COc1ncc(C)cc1[C@@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962719041 ZDUJNRIUQGONJV-HUUCEWRRSA-N 384.329 3.245 0 1 GGAF CCN1N=C(C(=O)O)[C@]2(c3ccccc31)c1c(F)cccc1C[C@@H]1CCCN12 963104152 HGMLCEMHQNNBAP-NYHFZMIOSA-N 379.435 3.370 0 1 GGAF Nc1ccccc1[C@@]1(c2ccncc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963237271 XGZDASSJKKEOKR-LADGPHEKSA-N 396.450 3.103 0 1 GGAF COCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)oc2C)CC1 61927300 ZGOLHDPKORHYHQ-OAHLLOKOSA-N 390.505 3.321 0 3 GGAF CC(=O)Oc1cccc(C(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@H]3C2)c1C 205220384 XDUZGCQPACIVQR-AZUAARDMSA-N 378.428 3.104 0 3 GGAF CC(=O)N1CCOc2cc(S(=O)(=O)N[C@@H](C)c3ccccc3)c(Cl)cc21 6893152 XHNMZCCKOSVTOZ-LBPRGKRZSA-N 394.880 3.125 0 3 GGAF Clc1ccc2c(NCCCNc3ccnc(N4CCOCC4)n3)ccnc2c1 103260200 YBLLIORPSKPIEX-UHFFFAOYSA-N 398.898 3.429 0 1 GGAF Cc1ccc(SCc2noc(C(=O)NC[C@@H]3CCCO3)c2C(=O)O)cc1C 8672413 KWJNNLHJOXUAQM-ZDUSSCGKSA-N 390.461 3.191 0 3 GGAF Cc1cccc(N2CCN(CN3C(=O)C[C@@H](c4cccc(Cl)c4)C3=O)CC2)c1 103155073 QBKRVPWWSATGAO-FQEVSTJZSA-N 397.906 3.271 0 1 GGAF CCS(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1 20443534 XIJSJMLFNHGZLX-UHFFFAOYSA-N 383.472 3.030 0 1 GGAF CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccc(Cl)cn1 27325129 NXJSEMGDOWDTFM-OAHLLOKOSA-N 391.880 3.144 0 1 GGAF COC(=O)c1ccc(-n2ncc(Cl)c(Oc3ccc(OC)cc3)c2=O)cc1 66148565 YFWGTWLLBKPUKI-UHFFFAOYSA-N 386.791 3.473 0 1 GGAF COc1nc(N(C)CCO)ccc1-c1cc2c(C(=O)O)c[nH]c2cc1Cl 218010957 RKJSVUYUCNYCPW-UHFFFAOYSA-N 375.812 3.019 0 1 GGAF CS(=O)(=O)NC(=O)c1ccc([C@H](O)C2C3CC4CC(C3)CC2C4)c(Cl)c1 216253546 OGXCFHUYAUXWDX-LOHAKXRJSA-N 397.924 3.135 0 1 GGAF CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)o3)c(-c3ccc(F)cc3)n2)CC1 82164486 XDJIGIJMHPXYIW-UHFFFAOYSA-N 395.438 3.223 0 1 GGAF CN(C)c1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cc1 96273567 NYUJGEOQKTXABR-DHIUTWEWSA-N 378.516 3.176 0 1 GGAF COc1cccc2c1ccn2-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 143675953 MHWGEXNUPBAAKD-UHFFFAOYSA-N 379.460 3.453 0 1 GGAF CCC(=O)N1[C@H](CN(C)C(C)=O)[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CO 95871957 GMLSJYXNUSREQD-GIWBLDEGSA-N 384.520 3.188 0 1 GGAF COc1cc(C(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OCCN 299831866 OOBLXSXHXSIGRW-UHFFFAOYSA-N 384.457 3.396 0 1 GGAF COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587586509 IQXZEBJVBIQONQ-YLJYHZDGSA-N 377.352 3.277 0 1 GGAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587069384 JIRXDOZDAMYLEK-SNVBAGLBSA-N 377.853 3.240 0 1 GGAF Cc1c(I)cnn1[C@H](C)c1nc2ccnc(Cl)c2[nH]1 587182119 LNYZYGUFHIZKKW-SSDOTTSWSA-N 387.612 3.330 0 1 GGAF CCOC(=O)C[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1 587408670 NNAKHGQOSBKYHM-NRFANRHFSA-N 383.400 3.120 0 1 GGAF COc1cc2c3c(c1)O[C@@](c1ccc(-c4ccccc4)cc1)(C(O)O)[C@@H](C2)C3=O 587449934 KJGKYTHCCFKAGD-YADARESESA-N 388.419 3.316 0 1 GGAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)C(C)C 586933368 QFYAZMVLBPZQNO-QGZVFWFLSA-N 393.488 3.304 0 1 GGAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc([C@H](N)N=O)cc3[nH]2)C(F)(F)C1 587132850 VVHKFWONODLKGW-ZWNOBZJWSA-N 381.383 3.256 0 1 GGAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(F)cc2[nH]1 586946405 PSIHMTXXPIZLFY-AWEZNQCLSA-N 389.452 3.135 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCCCCC1=O 587869859 PKJHKSOZVSGGIQ-UHFFFAOYSA-N 396.369 3.015 0 1 GGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccnc(Cl)c2[nH]1 587120818 HCVWSYRSWWYIJF-UHFFFAOYSA-N 396.760 3.035 0 1 GGAF COc1cc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cc1F 587094084 JMJZHXWNUBVYQH-AWEZNQCLSA-N 375.347 3.468 0 1 GGAF O=C(COCc1ccccc1)c1c(CO)oc2cc(Br)cnc12 587273066 HBMNKYCAJGGPTE-UHFFFAOYSA-N 376.206 3.482 0 1 GGAF CC(C)(C)c1[nH]cnc1[C@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962648828 XBJIDRSDHRWTIO-VGSWGCGISA-N 378.476 3.443 0 1 GGAF Cc1cc(Br)cc(C)c1NCc1cnc2nc(N)nc(N)c2c1C 5892151 BEBZJYGZKONWOG-UHFFFAOYSA-N 387.285 3.489 0 1 GGAF COc1ccccc1[C@H]1OC(=O)C[C@@H]1C(=O)OC[C@@H]1CCCN2CCCC[C@@H]12 13815041 RLQUGMOZSOFTJC-QUJKESNLSA-N 387.476 3.107 0 1 GGAF Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3ccccc3Cl)C[C@@H]12 206057535 PVSKBSFFIQUJBU-ZBFHGGJFSA-N 376.865 3.072 0 3 GGAF COc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2nc(C)sc2c1 6859657 QYJUCDBNUGNXMP-UHFFFAOYSA-N 390.486 3.416 0 1 GGAF CCC(=O)N1CC[C@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201097048 JCGVUGPEKCKOCA-YWBKXGLFSA-N 384.520 3.092 0 1 GGAF CCc1c(-c2cccc(N3CC[C@H](N(C)C)C3)c2)nc(O)c2c(O)nsc12 1857581880 JIBGFYNTKACTHM-AWEZNQCLSA-N 384.505 3.472 0 1 GGAF CC(=O)NCCn1c(SCc2ccc(C)cc2C)nc2ccccc2c1=O 2971746 IXWORKPVUOMZKF-UHFFFAOYSA-N 381.501 3.442 0 3 GGAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCOC)cc1 4049650 GDRUDZNISDIOTM-CTNGQTDRSA-N 382.460 3.330 0 1 GGAF C[C@@H](C(=O)O)n1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)n2C)nn1 103258450 RKHRYUVGWYSIAH-LBPRGKRZSA-N 392.394 3.192 0 1 GGAF O=C(O)c1cccc(OC2CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)c1 103269882 HMAXYDGCESYYAY-UXHICEINSA-N 380.444 3.494 0 1 GGAF CCCCNc1ncc(C(=O)NC2CCCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 103239206 SYMFPMGEVCPXSZ-CALCHBBNSA-N 389.544 3.467 0 1 GGAF Cn1cnc2cc(-c3ccc(CCN4CCCC4)cc3)nc(NC3CC3)c2c1=O 115622728 LDAUUSUJEVEAAA-UHFFFAOYSA-N 389.503 3.208 0 1 GGAF COc1ccc2nc(C[C@@H]3CN(Cc4ccccn4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305819 JPOFRVOEJXBETJ-HZPDHXFCSA-N 394.475 3.122 0 1 GGAF Cc1ccc(C(=O)NCCN2CCN([C@H]3CCCc4ccccc43)CC2)cc1 28091819 YWXLKOKYFHBYIE-QHCPKHFHSA-N 377.532 3.420 0 1 GGAF Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccccc3)cc12 28350328 BBWYGDDQVFXALL-UHFFFAOYSA-N 390.487 3.313 0 1 GGAF O=C(N[C@H]1C[C@@H]1c1ccccc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28523800 VBZKKCQAHSFQIC-CIAFKFPVSA-N 377.488 3.369 0 1 GGAF CC[C@H](O)[C@@H]1CCC[C@@H]2[C@H]3C(=CCCN12)OC(=C1OC(=O)C(C)=C1OC)[C@H]3C 2356571160 KLADGQYNEYECIT-IJCAJFLPSA-N 389.492 3.239 0 1 GGAF CC(=O)N1N=C2/C(=C/c3ccccc3)CS(=O)(=O)C[C@@H]2[C@@H]1c1ccccc1 29308817 BGAWLKHIMHPGRU-YHEIKNFPSA-N 380.469 3.074 0 1 GGAF COc1ccc(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)cc1 84728914 YXFATDKXNYDLAX-UHFFFAOYSA-N 394.500 3.481 0 1 GGAF NS(=O)(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1 89469993 XNPFPPICVRIXSI-UHFFFAOYSA-N 375.841 3.265 0 1 GGAF CCCNC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)CC 95602412 YRDHNJKOBIPBLO-KCZVDYSFSA-N 399.535 3.028 0 1 GGAF COc1cc2c(c3c1-c1ccc4cc5c(cc4c1N(C)[C@H]3O)OCO5)OCO2 34770483 VQHQADFZPDHVME-NRFANRHFSA-N 379.368 3.414 0 1 GGAF biogenic O=S(=O)(c1ccccc1)N1N=C(C(F)(F)F)C[C@@H]1c1ccc2c(c1)OCO2 299836087 GCWPYEYIYFGUSM-CYBMUJFWSA-N 398.362 3.469 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(O)cc2)N1 587830913 FVJKXHRSBIFIDP-VVVCHXIZSA-N 380.213 3.156 0 1 GGAF COc1ccc(OC)c(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1OC 587926025 GHOUHYQTGQSYIL-UHFFFAOYSA-N 382.464 3.008 0 1 GGAF CCOC(=O)c1cc(Br)c2[nH]c(-c3nc(Cl)cnc3N)nc2c1 587087348 PBRGLSXAVAZDFV-UHFFFAOYSA-N 396.632 3.195 0 1 GGAF C=C1NN(CC(=O)c2ccc(F)cc2)C(=O)c2nn(-c3ccc(C)cc3)c(C)c21 957653458 ZQIWLLPZLQHXQK-UHFFFAOYSA-N 390.418 3.442 0 1 GGAF Cc1cc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c(C)n1C[C@H]1CCCO1 962927204 DZTBOJCJAJRNDW-KNQAVFIVSA-N 381.520 3.221 0 1 GGAF COc1ccc(/C=C/C[C@H](CO)[C@@H](O)c2ccc(OC)c(OC)c2)cc1OC 15117457 CTZAPYMTKXSGQH-HEFNZMQWSA-N 388.460 3.466 0 1 GGAF COc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@@H]32)n1 169701358 VBUGEBALXLUROO-PBHICJAKSA-N 392.484 3.175 0 1 GGAF CCn1c(O)c2n(c1=O)[C@H](c1ccc(OC)cc1)c1[nH]c3ccccc3c1C2 169717795 URZPWMRQRJXFFB-HXUWFJFHSA-N 375.428 3.407 0 1 GGAF O=C(NC[C@H]1CCOC1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166853216 UAGOLVFLAOSFHO-CQSZACIVSA-N 383.423 3.140 0 1 GGAF O=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccccn1 1539372 UEVPZHOMMNFGGS-UHFFFAOYSA-N 395.532 3.024 0 1 GGAF CCN1CCc2c(sc(NC(=O)c3nc4ccccc4s3)c2C(N)=O)C1 4087219 DRPDLEBLWIEJSG-UHFFFAOYSA-N 386.502 3.087 0 1 GGAF O=C(CCCCC(=O)Nc1ccccc1C(=O)O)Nc1ccccc1C(=O)O 6567830 WFLXRCUOXLSGPW-UHFFFAOYSA-N 384.388 3.221 0 1 GGAF C[C@@H]1CC[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N2[C@@H]1c1ccc(Br)cc1 7992034 OPKHASDRVSLFHV-MPESAESLSA-N 377.282 3.122 0 1 GGAF COc1cc2nc3c(c4c2c(c1OC)NCC4)Cc1cc(OCCN)ccc1-3 27190554 RMQMFGRGLGOQJQ-UHFFFAOYSA-N 377.444 3.129 0 1 GGAF CCNC(=O)c1cncc(/C=C/c2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1 28896781 TYNOFSAXDJGXIY-SNAWJCMRSA-N 388.431 3.277 0 1 GGAF Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)N(C)C)c(C(=O)O)cc12 26491222 NUNPZICGJFWFOY-UHFFFAOYSA-N 381.384 3.451 0 1 GGAF CCOP(=O)(OCC)[C@H](c1cc(OC)c(O)c(OC)c1)N1CCOCC1 26821159 JHZYVVVAGLORLH-QGZVFWFLSA-N 389.385 3.006 0 1 GGAF O[C@H]1[C@H](N2CC=CCC2)c2ccccc2C12CCN(Cc1ccncc1)CC2 20637320 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Cc1cc2c(CC(=O)O)c(C)n(Cc3ccc(S(C)(=O)=O)cc3)c2s1 66078264 HRKQWLLUCDQDPQ-UHFFFAOYSA-N 377.487 3.399 0 1 GGAF CCN(C)CC(=O)c1ccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40866158 WPQCAAPNEHULBQ-OAQYLSRUSA-N 383.444 3.025 0 1 GGAF CCOC(=O)[C@@]1(C)CN(C(=O)CN(CC)CC)c2c(C)cc(C)c(C)c2O1 40955967 XSCIRUAGSNJRNQ-OAQYLSRUSA-N 376.497 3.001 0 1 GGAF COc1cccc(NC(=O)N2CCN(c3ncnc4[nH]cc(C)c34)C[C@@H]2C)c1 197728384 VQYKTJZUIGNLQB-AWEZNQCLSA-N 380.452 3.018 0 1 GGAF Cc1nc2cccc(-c3cc4c([nH]3)[C@@H](CCO)NC4=O)c2nc1NC(C)(C)C 222362214 JKCKHRWRMSOFHW-OAHLLOKOSA-N 379.464 3.311 0 1 GGAF CCCS(=O)(=O)c1ccc2[nH]c([C@H]3CN(c4ccccc4)CCO3)nc2c1 95574984 BJTUQCMBCTVKDE-LJQANCHMSA-N 385.489 3.325 0 1 GGAF COc1ccc(-c2cnc3snc(NC(=O)C4CCNCC4)c3c2)cc1OC 299819099 COOOQAODRAHUFV-UHFFFAOYSA-N 398.488 3.314 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@H](C(=O)Nc1ccccc1Br)C2 473154270 GAPNLEWLECCIDA-GFCCVEGCSA-N 390.233 3.460 0 1 GGAF CCn1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c(C)n1 587868412 KSXVVMRTCKTLCS-UHFFFAOYSA-N 379.342 3.186 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(COC13CN(C(=O)OC(C)(C)C)C3)CC2=O 587490489 XKPGNPRAMSIIPV-FQEVSTJZSA-N 389.448 3.068 0 1 GGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CC(=O)N(C)C1 587859323 IEVIGPUILQEVSJ-JTQLQIEISA-N 382.247 3.374 0 1 GGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)NC1C2CC3CC(C2)CC1C3 587650907 WUXXEINOCQREQY-UHFFFAOYSA-N 386.517 3.434 0 1 GGAF CCOC(=O)c1coc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587585532 FMTVTCNKJFYMDW-MAUKXSAKSA-N 381.340 3.260 0 1 GGAF CC1=C[C@@]2(C=C(C(=O)O)N1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587758814 JNEQFKKEIJYCGD-XLFHBGCDSA-N 381.245 3.135 0 1 GGAF CCOC(=O)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587704284 JCLIAWKFYJEGKW-CPFSXVBKSA-N 384.167 3.443 0 1 GGAF CN(C)S(=O)(=O)c1cccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c12 587258860 VGHPXIBKSFJHFS-KRWDZBQOSA-N 394.500 3.209 0 1 GGAF CC(C)(C)c1ccc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2c1 587227808 YKWHDUQOEZNJSY-UHFFFAOYSA-N 394.475 3.403 0 1 GGAF O=C(N1CCC[C@H](Nc2ccc3c(c2)OCO3)C1)C1(N2CCCC2)CCCC1 11665463 MYEVUDHYPDVMKP-SFHVURJKSA-N 385.508 3.227 0 1 GGAF CCNC(=O)Nc1nc2cc(-c3cccnc3)c(N[C@H]3CCOC3)nc2s1 169340106 WWAUHTCZLNXGEF-LBPRGKRZSA-N 384.465 3.096 0 1 GGAF CN(C)[C@@H]1CCCN(CCCc2c(O)ccc3[nH]c(=O)c4sccc4c23)C1 165146889 DNRFMSJVTXHVCU-CQSZACIVSA-N 385.533 3.407 0 1 GGAF CCCC(=O)O[C@@H](C(=O)NCc1ccccc1)[C@H]1O[C@@H]1c1ccccc1[N+](=O)[O-] 205671636 AVVRBNVWLMXNKM-HSALFYBXSA-N 398.415 3.063 0 1 GGAF O=C1c2ccccc2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4503174 WDTCUIOAIZRHAE-ATNYCFDYSA-N 386.407 3.023 0 1 GGAF CC[C@H](O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 13975716 VFEDEOUBYBLDKN-CVEARBPZSA-N 383.500 3.376 0 1 GGAF CN1C(=O)NC(=O)/C(=C2\C[C@H](c3ccc(O)cc3)Sc3ccccc3N2)C1=O 15670692 GKRXCLAUMDTQCF-DXFLKOCDSA-N 395.440 3.004 0 1 GGAF O=C1N[C@@H](c2ccc(Cl)cc2)CN1S(=O)(=O)c1ccc2c(c1)CCC2 26572837 SXXHSIPCPJANMV-QGZVFWFLSA-N 376.865 3.284 0 1 GGAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 27109312 WSTBUYSFCXEAIP-DXBBTUNJSA-N 393.483 3.481 0 1 GGAF CCC(CC)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OCCO)CN(C)[C@@H]1C2 29485822 ZKBHIGHGJUAMPK-LKUPVBHCSA-N 384.520 3.498 0 1 GGAF COc1ccc2c(c1)[C@@H](c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2 42887925 VKEVCDAWEJLKMA-GOSISDBHSA-N 383.400 3.089 0 1 GGAF CC[C@]1(O)c2ccc(C(=O)N3CCN(C)CC3)cc2Oc2ccc(Cl)cc21 45366501 ZTUBMABUIBUAFO-NRFANRHFSA-N 386.879 3.479 0 1 GGAF COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12 95574031 PBBLZBUJHLNSRL-UHFFFAOYSA-N 382.811 3.044 0 1 GGAF CC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H]2CO 95873945 ZFJSDRDQKLPFMQ-TZRRMPRUSA-N 378.516 3.433 0 1 GGAF F[C@]1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCCNC1 96175125 IOMPXUVGZPWQSW-OAQYLSRUSA-N 377.423 3.415 0 1 GGAF COC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2F)CC1 103245433 UDCXSNGOUZHJPQ-JXMROGBWSA-N 383.423 3.366 0 1 GGAF C=C(c1ccc(OC)c(OP(=O)(O)O)c1)c1cc(OC)c(OC)c(OC)c1 141580757 WQTYOBWLEJDIAL-UHFFFAOYSA-N 396.332 3.254 0 1 GGAF C[C@@]12Cc3[nH]nc(C(=O)Nc4cnn(Cc5ccccc5)c4)c3C[C@@H]1C2(F)F 143787554 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COC(=O)c1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587275470 BOKUEXFQLSIEDX-UHFFFAOYSA-N 390.189 3.100 0 1 GGAF COCCCN=c1[nH]c(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 587414281 TUAYQUNYUHCUCA-IBGZPJMESA-N 375.494 3.093 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C(/C=C\C(=O)O)=COc4ccccc41)[C@@H](C2)C3=O 587451541 IBEORQNGBYJCCQ-AGFJILATSA-N 376.364 3.255 0 1 GGAF COc1ccccc1N1C[C@H]2C[C@@H]1CN2c1ncnc2c1cnn2-c1ccccc1 653745774 TWHZOAJMVSHZKC-QZTJIDSGSA-N 398.470 3.292 0 1 GGAF Cn1cccc1CN1CCc2sccc2[C@]12CCCC[C@H]2S(C)(=O)=O 962399442 PTNCOIOBIPCBML-MOPGFXCFSA-N 378.563 3.327 0 1 GGAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](COCc2ccccc2)N1 962635908 KTSPKUSUONAMLY-LSDHHAIUSA-N 381.350 3.442 0 1 GGAF O=C(O)[C@@H]1[C@H]2C[C@@H]([C@H]1C(=O)O)[C@]1(C2)NCCc2cccc(-c3ccccc3)c21 962671039 RMYZESZSOFXIKS-CKGGVCOQSA-N 377.440 3.136 0 1 GGAF COc1ccc([C@@H](O)CCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 1857745509 NWFHEKGJBBFSSM-IBGZPJMESA-N 387.476 3.203 0 1 GGAF Oc1n/c(=C\c2ccco2)c(O)n/c1=C\c1cccc(Oc2ccc(F)cc2)c1 1911571045 HVDIOKFBMGISBM-YXZJEIOKSA-N 390.370 3.070 0 1 GGAF CC(=O)OC[C@@H]1[C@H](C(=CCC=C(C)C)CO)CC[C@@]2(C)C[C@@]1(O)CC[C@@H]2O 2356596609 LNKWGASOQMUALA-WIYBCGNWSA-N 380.525 3.133 0 1 GGAF COC(=O)CC[C@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@]2(C)C(C(=O)OC)=CCC[C@@H]21 2356769346 BRPLPGDXTHMNKH-GNPZUCITSA-N 380.481 3.433 0 1 GGAF O=C(Nc1ccc(O)cc1)C1=CC2=N[C@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1 100443823 FEXNXFOTFBWMTL-WFASDCNBSA-N 392.337 3.102 0 3 GGAF CN1[C@H](C(=O)NCc2ccco2)C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@H]21 253989084 RXEOZLZBPPKMPL-CZAAIQMYSA-N 386.455 3.474 0 3 GGAF CC(C)(C)C(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3ccc(F)cc3[nH]2)C1 2356349129 SKFMRUUULSNIFK-QWHCGFSZSA-N 375.444 3.230 0 1 GGAF CCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 4533679 JZWGWGWMLLNIFN-UXHICEINSA-N 398.503 3.428 0 1 GGAF COc1cc([C@H]2C3=C(O)OCC3=Nc3cc4c(cc32)OCO4)cc(OC)c1OC 100870174 HMJFMNFVTSAUBJ-GOSISDBHSA-N 397.383 3.459 0 1 GGAF CNC(=O)c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1C(=O)O)OCO3 28111707 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CC(C)Cc1nc2nc(N3CCC(O)(Cc4ccccc4)CC3)ccc2[nH]c1=O 82231334 FETXCWMHUDHCBG-UHFFFAOYSA-N 392.503 3.091 0 1 GGAF COc1cc2nc(NCCCCO)nc(NCc3ccccc3)c2cc1OC 82126143 FEIBQIBUJKYZFY-UHFFFAOYSA-N 382.464 3.444 0 1 GGAF COc1cccc(CNC(=O)c2coc(-c3ccc4c(c3)OCO4)n2)c1OC 82086240 KZGCCSYPSVBERG-UHFFFAOYSA-N 382.372 3.018 0 1 GGAF CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCC2)[C@@H]1CO 95869229 XLLDPXICDJKHRK-WBAXXEDZSA-N 393.325 3.340 0 1 GGAF N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)Cn2c3c(-c3cccnc3)ccc2=O)c1 25408330 XMHIBLXWEUYDBY-CTNGQTDRSA-N 382.467 3.401 0 1 GGAF biogenic COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CN(C)C1 95796046 FUHYMNYJCOWAHZ-FQEVSTJZSA-N 395.478 3.048 0 1 GGAF Cc1nc2ccccc2c(=O)n1-n1c(C)cc(=O)n(-c2ccccc2)c1=S 98085074 QNINODHFRKLQRL-UHFFFAOYSA-N 376.441 3.007 0 1 GGAF COc1cc(Br)cc(C=O)c1OCc1nc2cc(C)cnc2[nH]1 586980297 NULXNCSWXWGDBS-UHFFFAOYSA-N 376.210 3.429 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCO)cc1Br)O2 587375658 FCUUHOYMUMJPAN-KRWDZBQOSA-N 392.249 3.417 0 1 GGAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Br)c(C)nc3[nH]1)C2 587247442 RUZSOXUUIQGJJV-SFHVURJKSA-N 387.281 3.380 0 1 GGAF Cn1ccnc1[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576303 ILUAMGXGICTCHL-XXBNENTESA-N 399.406 3.426 0 1 GGAF CCOC(=O)[C@]1([C@@H]2CCCC2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587794802 GRXNWDWPXMHJAZ-AJLCLMPTSA-N 398.272 3.250 0 1 GGAF O=C(Cc1ccccc1)NCCc1nc2cc(F)cc(Br)c2[nH]1 587228414 LFSSZEPKKYXHOS-UHFFFAOYSA-N 376.229 3.366 0 1 GGAF N[C@@]1(c2nc3cc(I)cnc3[nH]2)C[C@@H]1c1ccccc1F 587158412 XCAFEXDDRYITAG-BMIGLBTASA-N 394.191 3.043 0 1 GGAF COc1cc2c3c(c1)O[C@](C)([C@@H]1[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]41)[C@@H](C2)C3=O 587445305 UPJFSMAQENPDFX-UROPYPJOSA-N 385.460 3.314 0 1 GGAF O=C(N[C@@H](Cc1nc2cnc3ccccc3c2[nH]1)C(=O)O)OCc1ccccc1 587204397 XTLHHGASRGMNMM-INIZCTEOSA-N 390.399 3.033 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1c(O)ccc(O)c1Br)[C@@H](C2)C3=O 587413810 QQIBPRGRDFNSCH-HUTHGQBESA-N 377.190 3.358 0 1 GGAF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587234161 CRFQZKBBOHAHTN-PHDIDXHHSA-N 378.148 3.074 0 1 GGAF COc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587591401 CJRIHCHKKWZWIS-GCJKJVERSA-N 389.363 3.210 0 1 GGAF Clc1ncc(I)c2nc(CCOCC3CC3)[nH]c12 587783376 QEOJUUYPJMPAAP-UHFFFAOYSA-N 377.613 3.185 0 1 GGAF O=C(O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 587607027 GRSFRWDCNNRHFV-FXAWDEMLSA-N 378.336 3.499 0 1 GGAF COc1ccc2c(c1OC)[C@H](C1(OC)CC1)N(C(=O)c1ccccc1N)CC2 963151754 GXBIHYIPCBYARR-HXUWFJFHSA-N 382.460 3.205 0 1 GGAF Fc1cccc2c1[C@@H](c1cnc(I)nc1)N1CCC[C@H]1C2 963096167 CSIMNLYSVOQPBK-SWLSCSKDSA-N 395.219 3.330 0 1 GGAF O=C(Nc1cccc2ccccc12)c1c(Nc2ccccc2)nc(O)n(O)c1=O 1772625197 BKPWMRJIRVNESE-UHFFFAOYSA-N 388.383 3.335 0 1 GGAF CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1 13781329 XVJDMVSHDMGRQA-UHFFFAOYSA-N 396.443 3.412 0 1 GGAF COC1CCC2(CC1)Oc1ccc(Br)cc1[C@]21N=C(C)C(N)=N1 169708615 JCRQLFDPHZWIEQ-UAIPMZCESA-N 378.270 3.154 0 1 GGAF Cc1ccc(CNC(=O)C[C@H](C)CC2=NS(=O)(=O)c3ccccc3N2)cc1 4148382 GMCDGNJHPHYPLS-OAHLLOKOSA-N 385.489 3.240 0 1 GGAF CC[C@@H](C)n1c(SCC(=O)Nc2cc(C)n[nH]2)nc2ccsc2c1=O 4659236 JPJSTXGCVSMOFW-SNVBAGLBSA-N 377.495 3.191 0 1 GGAF COc1ccc(-c2nc3ncccn3c2-c2ccc(S(C)(=O)=O)cc2)cc1 6244548 SSARXDLPJGIOOC-UHFFFAOYSA-N 379.441 3.475 0 1 GGAF CC(C)C[C@H]1Nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2NC1=O 6785413 ASPGITKPVRWWDW-QGZVFWFLSA-N 381.432 3.124 0 3 GGAF CCCCNC(=O)O[C@H]1C=C[C@@]23CCN(C)Cc4ccc(OC)c(c42)O[C@H]3C1 27646237 NNDZUQPKOVVEPM-ZJBJCVSYSA-N 386.492 3.384 0 1 GGAF CCOC(=O)c1cc2c3n(c1=O)-c1ccccc1[C@]31CCN3C[C@@H](CC)[C@H]2C[C@H]31 2356514524 IBDFFSJHPFBKGZ-CMKXTJOXSA-N 390.483 3.215 0 1 GGAF CC(=O)OCC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356611577 BNKAAQVNYUWGCV-IKUWIKAWSA-N 392.536 3.253 0 1 GGAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1ccco1 73220238 IQOVYMXBAHUTBZ-UHFFFAOYSA-N 399.403 3.471 0 1 GGAF C[C@](N)(CO)C(=O)Nc1ccc(OCCc2ccc(-c3ccncc3)cc2)cc1 35878536 PQUOMNVHMIBWMB-QHCPKHFHSA-N 391.471 3.018 0 1 GGAF COc1cc2nc(NCc3ccc(F)cc3)nc(NC[C@@H](C)O)c2cc1OC 82129228 NVDSBAWCIJNPJT-GFCCVEGCSA-N 386.427 3.191 0 1 GGAF CN(Cc1ccc2[nH]ccc2c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 45256414 CBKGCLRRPJOUEL-OAQYLSRUSA-N 397.429 3.057 0 1 GGAF COc1cc2nc(N3CCOCC3)nc(NCc3cccs3)c2cc1OC 82125300 FQMNKOBXNXPUBM-UHFFFAOYSA-N 386.477 3.157 0 1 GGAF O=c1[nH]c(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccc12 96258419 PKIGUBXVWVZBFX-UHFFFAOYSA-N 382.895 3.331 0 1 GGAF CNC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 96286045 LYYLWOIDTXRRLW-OAHLLOKOSA-N 379.459 3.086 0 1 GGAF COc1cc(-c2cnc(C(=O)c3ccc(N(C)C)cc3)[nH]2)cc(OC)c1OC 95581601 KWNVLLDBHNPVCB-UHFFFAOYSA-N 381.432 3.400 0 1 GGAF O=C(O)[C@H]1CCCN1C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144733267 NUSLEGAFNXGXOX-VQIMIIECSA-N 391.345 3.154 0 1 GGAF O=C(NCCCCNC(=O)c1cccs1)c1cc(-c2cccs2)on1 473088019 NHIMCEIDUALGTI-UHFFFAOYSA-N 375.475 3.405 0 1 GGAF O=C(O)CCc1ccc(Nc2ncc(Cl)c(NC[C@H]3CCCO3)n2)cc1 299851462 GQOLVMNZWFORAW-CQSZACIVSA-N 376.844 3.482 0 1 GGAF COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587800074 ZVVZXQWJRJNQLT-LZVRBXCZSA-N 391.240 3.327 0 1 GGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)cc1 586938904 LIQSXEADSDOXCQ-JTQLQIEISA-N 391.424 3.144 0 1 GGAF NC(=O)C1C[C@@H]2CC[C@H](C1)C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578092 MBTPXCIHAWFHSW-RYROBMCVSA-N 379.412 3.014 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(C(F)(F)F)ccc41)[C@@H](C2)C3=O 587421476 LEPJPZPRFLHOGG-KPZWWZAWSA-N 375.302 3.309 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1cccn1S(=O)(=O)c1ccccc1)[C@@H](C2)C3=O 587447742 FEXAZSRYJQWASF-HRAATJIYSA-N 395.436 3.222 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc(C(F)(F)F)cc41)[C@@H](C2)C3=O 587423181 SAHWMKGUKWMHDR-KPZWWZAWSA-N 375.302 3.309 0 1 GGAF Brc1c[nH]c2nc(-c3cccn4c(Br)cnc34)nc-2n1 587007841 SUNRZJWFGYGIEJ-UHFFFAOYSA-N 394.030 3.144 0 1 GGAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 587066313 KZTVCDULNPQHEP-UHFFFAOYSA-N 379.869 3.184 0 1 GGAF CC1=C(c2ccc3nc([C@H](CN)Cc4ccc(Cl)cc4)[nH]c3c2)NNC(=O)C1 587071142 WSYWZCQAIXRHIY-HNNXBMFYSA-N 395.894 3.257 0 1 GGAF Nc1ccc(C2=COc3cc(O)ccc3[C@]23NCCc2nc4ccccn4c23)cc1 962987441 WKXMOZPOPPXUJP-DEOSSOPVSA-N 396.450 3.445 0 1 GGAF COc1ccc2cc1-c1cc(c(O)c(OC)c1OC)CCCCC(=O)[C@@H](O)C2 14611808 VHBRVHUPCPJJMZ-SFHVURJKSA-N 386.444 3.284 0 1 GGAF endogenous,in-man CCO[C@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O 839219 FJENKDXEWRLENI-LJQANCHMSA-N 384.432 3.375 0 1 GGAF in-vivo C[C@]1(O)CCN(C(=O)C2CCC2)[C@H](c2cccs2)[C@H]1NC(=O)c1ccccc1 2356407681 HTUHAPYNGGGTJN-KNKQGSTJSA-N 398.528 3.371 0 1 GGAF COc1ccc(CCO[C@H]2CCCC[C@H]2N2CCC3(C2)OCCO3)cc1OC 22011112 FZBQGKNQUGVJNS-MOPGFXCFSA-N 391.508 3.023 0 1 GGAF CC(C)N1Cc2c(Nc3ccc(Cl)cc3)nc(N3CCOCC3)nc2C1=O 26734023 INHSVCXPVJAORL-UHFFFAOYSA-N 387.871 3.074 0 1 GGAF Cc1cc(N)nc(C)c1CNC(=O)c1ncn(Cc2cccc3ccccc23)n1 114077798 VFUVLOZRLJAPPU-UHFFFAOYSA-N 386.459 3.004 0 1 GGAF CC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1C(=O)N(C)C 114771961 KATZVXKQECVLSC-UHFFFAOYSA-N 397.479 3.267 0 1 GGAF O=C1[C@@H](N2CCN(Cc3ccc(Cl)cc3)CC2)CCc2cccc3c2N1CC3 22927099 MDCLDPYRUQCBTL-NRFANRHFSA-N 395.934 3.362 0 1 GGAF N=C(N)c1ccc(-n2ccc3ccc(NC(=O)c4cccc(C(=N)N)c4)cc32)cc1 28022944 KKHFYGCPCQZFRA-UHFFFAOYSA-N 396.454 3.451 0 1 GGAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@H]3CNC(=S)Nc2ccccc2)CC1 2356862322 UZGFHHVXUWOXQU-ZVDOUQERSA-N 386.609 3.415 0 1 GGAF CCCN(CCN1CCN(c2ccccn2)CC1)[C@@H]1CCc2ccc(O)cc2C1 64251804 KIBICQVMFUXHBE-JOCHJYFZSA-N 394.563 3.179 0 1 GGAF O=C(NCCC(=O)N1O[C@@H]2C=C[C@H]1C2)OCC1c2ccccc2-c2ccccc21 61943173 YNVRTLQZUZPKTP-JKSUJKDBSA-N 390.439 3.386 0 3 GGAF O=C(NCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 43186184 UIJXNYLEYQRTSV-UHFFFAOYSA-N 391.468 3.322 0 1 GGAF CC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 195339333 UOHQEFKIKABMNS-WOHDBFHPSA-N 382.516 3.019 0 1 GGAF OC[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(CC3CC3)CCCCN12 95875272 LPVOCHZCCVGHEL-WXFUMESZSA-N 377.532 3.383 0 1 GGAF Cn1cc(-c2cc(OCCO)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144856568 OSBBJDNGAVKGAO-LJQANCHMSA-N 390.361 3.237 0 1 GGAF Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CCOCC3)c(C)s2)s1 653732478 AIFVXIXIFFPIJT-LSDHHAIUSA-N 392.550 3.341 0 1 GGAF CCOC(=O)[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587775348 ZIGZEHYLFVZSHJ-ZMZPIMSZSA-N 393.256 3.324 0 1 GGAF CCOC(=O)C(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795228 IBELWXCDVROTSX-XTZNXHDOSA-N 398.272 3.250 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(O)ccc(N)c21 587388757 GLYGWBJRVKNIHV-HSZRJFAPSA-N 386.407 3.318 0 1 GGAF CN=c1nc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]s1 587371443 DSJMQTPIHCFTKY-YLJYHZDGSA-N 399.447 3.207 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C1CCOCC1)CC2=O 587482374 DTTCKABMVDWBBF-NRFANRHFSA-N 376.449 3.429 0 1 GGAF Cc1[nH]c2c(c1C(=O)O)[C@]1(CCC2)c2c(Cl)ccc3c2CCN1[C@H]3C(=O)O 962575800 SGXHFKIIYRYWFI-XLIONFOSSA-N 386.835 3.252 0 1 GGAF CCOC(=O)[C@@]1(c2ccc(Cl)c(F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962907103 SOYJDFGMQVDNHQ-KXBFYZLASA-N 395.789 3.024 0 1 GGAF CCCC(=O)N1CC[C@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 205474445 FJPHWIDQZXHYGB-GANZUKCXSA-N 398.547 3.482 0 1 GGAF CN(CCN(C)C(=O)n1cccn1)Cc1cccc(OCc2ccccc2)c1 1857562594 ANRJTRRUIVNTPM-UHFFFAOYSA-N 378.476 3.494 0 1 GGAF Cc1[nH]c([C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)nc1-c1ccccc1 13583528 WTLPGZMNWBXIHT-PMACEKPBSA-N 390.487 3.324 0 1 GGAF Cc1c(C(=O)NCCCO)cnn1-c1nc(-c2cccc(Cl)c2)cs1 13602519 JLMSSVXBXRZTBM-UHFFFAOYSA-N 376.869 3.070 0 1 GGAF CCCc1cc(OC)c(OC(=O)c2c(C)cc(OC)cc2O)c(O)c1C(=O)O 14718402 DRVCSLADCFHGDC-UHFFFAOYSA-N 390.388 3.293 0 1 GGAF biogenic CCNc1nc(C)c(-c2ccnc(Nc3cccc(S(C)(=O)=O)c3)n2)s1 38238888 XUKYEEYMPUGKNF-UHFFFAOYSA-N 389.506 3.487 0 1 GGAF Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)NCCC(=O)N3)[nH]c2ccccc12 45253796 OAPGLPXMENNUKA-BQYQJAHWSA-N 389.459 3.297 0 1 GGAF O=C(CN(C(=O)C1CCOCC1)C1CCCCC1)Nc1cc(F)cc(F)c1 72123095 NZDOZDVQNOJVEM-UHFFFAOYSA-N 380.435 3.491 0 1 GGAF CCc1nn(-c2ccccc2)c2cc(N3CCN([C@@H]4CCNC4)CC3)ccc12 72179312 VDYDBNQZHKYZSK-HXUWFJFHSA-N 375.520 3.072 0 1 GGAF CCCNC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CNC(=O)CC 95894977 WDWRNSXHAWCLRQ-TUNNFDKTSA-N 399.535 3.028 0 1 GGAF CC(C)C[C@H](CNC(=O)c1cccnc1)Cc1ccc2c(c1C(=O)O)OCO2 95920995 LRIOQCGZQZMXSL-AWEZNQCLSA-N 384.432 3.143 0 1 GGAF in-vitro NC(=O)c1cc(N2CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 114591618 PPCFKJMLAXIIOE-UHFFFAOYSA-N 392.434 3.189 0 1 GGAF CC(C)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cn2)CC1 166695513 VCJZQEQXGYNXOQ-UHFFFAOYSA-N 391.475 3.296 0 1 GGAF CCC[C@@H](CC1(C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)CCCC1)C(=O)O 169354501 DXFWFDIVNNUBBJ-IXDOHACOSA-N 380.529 3.201 0 1 GGAF CCCCCC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195371785 ZIKBTZZAYKAEPP-WECCILKDSA-N 397.515 3.309 0 1 GGAF CC(C)N1C(=O)[C@@]2(N=C1N)c1ccccc1CC21CCC(OC(F)F)CC1 201251477 OZUSWNVOAJNFPL-DZJIEVIWSA-N 377.435 3.172 0 1 GGAF CCCCCC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 299812480 ZIKBTZZAYKAEPP-KPEYNIOCSA-N 397.515 3.309 0 1 GGAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(F)c(C(=O)O)cc2[nH]1 587039392 RMZALMYNDBUPND-UHFFFAOYSA-N 379.373 3.266 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)/C=C/C(=O)O)cc1)O2 587389906 MWPYOXPHZRJILY-CQQBXOTJSA-N 380.400 3.037 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OC(=O)c3cnn(C)c3)cc1)O2 587390016 FGTLUYYQTNHNIN-JOCHJYFZSA-N 391.427 3.411 0 1 GGAF COC(=O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592796 KNLKJDFCXPTGJG-GCJKJVERSA-N 376.364 3.422 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2cnn(C)c2)N1 587763979 NUUDLQCEVGSLBV-BMLIUANNSA-N 380.261 3.344 0 1 GGAF Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnc2nncn12 587776345 WUVMXSCHBRJWSY-VVVCHXIZSA-N 390.260 3.132 0 1 GGAF COC(=O)[C@@H]1CC(OC)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587809799 JKJVODFBAAHIJD-JEIZZZKLSA-N 384.245 3.041 0 1 GGAF O=c1nc(O)c(Cl)c(COCc2ccccc2)n1COCc1ccccc1 653850118 WOKFCGATHAIAHY-UHFFFAOYSA-N 386.835 3.493 0 1 GGAF CC(=O)[C@@H]1C(=O)N2CCc3cccc(c32)[C@]12c1ccc(F)cc1C[C@@H]1CCCN12 963094061 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3.239 0 1 GGAF CCN(CC)CCCOc1c(NC(=O)NC)c(OC)c2ccoc2c1OC 29399862 REXXIFWYICNOBX-UHFFFAOYSA-N 379.457 3.312 0 1 GGAF CC(=O)CC[C@@]1(C)CC[C@]2(C(C)C)O[C@@H](O)[C@H](OC(=O)c3ccc(O)cc3)[C@@H]12 38896779 NXAOPHXQGPBAHR-WQIFRTTPSA-N 390.476 3.447 0 1 GGAF COc1cc2c(C(=O)N(C)c3ccccc3Cl)cn(C)c(=O)c2cc1OC 34855260 UCDPXRRCRGOBSA-UHFFFAOYSA-N 386.835 3.486 0 1 GGAF Cc1cc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2[nH]1 40829651 FXJMAIABWURTRB-UHFFFAOYSA-N 390.487 3.172 0 1 GGAF O=S(=O)(NCCCCO)c1ccc(-c2ccc(F)cc2F)c(Cl)c1 40576238 WPDAPHFDEDZUPN-UHFFFAOYSA-N 375.824 3.336 0 1 GGAF CN1CCC[C@H]1CCn1c(-c2cccnc2)nc2c(NCC3CC3)ncnc21 82181299 VAOLSROCTCOJIW-KRWDZBQOSA-N 377.496 3.195 0 1 GGAF Cc1ccc2nc(C(F)(F)F)c(C(=O)NCc3ccc4c(c3)OCO4)n2c1 84739324 FUWBIIPHPBUIPN-UHFFFAOYSA-N 377.322 3.320 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cnc3nccnc13)O2 587371722 MNQNZIXAYHIALO-CYBMUJFWSA-N 385.221 3.384 0 1 GGAF COC(=O)c1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2n1 587020079 FOKHLOJWYQFYCR-UHFFFAOYSA-N 389.437 3.139 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)CNC(=O)C3)N1 587795930 PENMQESLVMMQNV-IPPDQLOFSA-N 381.289 3.398 0 1 GGAF CN1[C@H]2COC[C@H]1CC1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334623 FOJGLTMVAICAMV-QINHECLXSA-N 383.419 3.122 0 1 GGAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(F)cc2[nH]1 586946406 PSIHMTXXPIZLFY-CQSZACIVSA-N 389.452 3.135 0 1 GGAF COC(=O)c1scnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616316 BPMDLIIADIHMAE-CXAGYDPISA-N 383.381 3.338 0 1 GGAF COC(=O)C(=O)C[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348853 HRPOHFUQOQVINA-KNQAVFIVSA-N 398.386 3.171 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1ccc(F)cc12 587735250 SRUWRQOZHKBMQA-NIVTXAMTSA-N 393.231 3.482 0 1 GGAF COC1=C[C@]2(C[C@@H](C(=O)O)C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587806999 BUFLUOKXARMWNN-NVTQBHAOSA-N 384.245 3.343 0 1 GGAF CCOC(=O)c1ccc2nc(-c3[nH]nc(OCC)c3Br)[nH]c2c1 586980373 WPMXWJPMLVVQCO-UHFFFAOYSA-N 379.214 3.291 0 1 GGAF COc1cc([C@H]2NCCc3c(C(=O)O)cccc32)c(OC)cc1Br 963130891 LOAPQAWLEIOSMM-KRWDZBQOSA-N 392.249 3.400 0 1 GGAF O=C(OCc1ccccc1)N1CCC[C@@H](c2nnn3cnc4[nH]ccc4c23)C1 1772621673 LITDGYGRTIDRGP-OAHLLOKOSA-N 376.420 3.122 0 1 GGAF COc1ccc2c(c1)[C@@](C)(CCCc1ccc(N(C)C)cc1)C(=O)N2CC(=O)O 1772572443 YPDCMJATZJRLBC-HSZRJFAPSA-N 396.487 3.473 0 1 GGAF COc1cccc(CN2C[C@@H](C(=O)NCc3ccc(Cl)s3)CCC2=O)c1 11843542 YXFVHIHNWFHIHR-AWEZNQCLSA-N 392.908 3.465 0 3 GGAF CC(C)Cc1cc(CN2CCc3ccc(NC(=O)[C@H]4CCCO4)cc3C2)n[nH]1 12447376 KHYXYTKICZSPBC-OAQYLSRUSA-N 382.508 3.284 0 1 GGAF NC[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)C[C@@H]1c1cc(F)ccc1F 169312408 LXHGSHFDDCQMDV-GWCFXTLKSA-N 385.336 3.474 0 1 GGAF CC(=O)[C@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@@H](F)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 169332305 UOHQEFKIKABMNS-FMRFNKJNSA-N 382.516 3.019 0 1 GGAF O=c1oc2ccccc2c(O)c1/C=C/n1cnc2c(N3CCCCC3)ncnc21 211899023 MQWLMMRWPBIITC-DHZHZOJOSA-N 389.415 3.257 0 1 GGAF O=C(c1ccc(Cl)cc1Cl)[C@]1(n2cncn2)Oc2ccccc2[C@H]1O 1504269 WJHUOYXIBZLMEM-SJORKVTESA-N 376.199 3.247 0 3 GGAF 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35932123 LHUNZVQAXSCSBJ-UHFFFAOYSA-N 390.487 3.485 0 1 GGAF COc1ccc2nc(C)cc(-n3cc(CNC(=O)c4ccc(C)cc4)nn3)c2c1 71281696 UDWHXEMKWNFXQG-UHFFFAOYSA-N 387.443 3.371 0 1 GGAF COc1cc(-c2nc3c(NCC4CC4)ncnc3n2C[C@@H]2CCCO2)ccc1O 82179453 QDYLESATNKTPAD-HNNXBMFYSA-N 395.463 3.208 0 1 GGAF Cc1cc(OCCCN2[C@H]3CNC[C@H]32)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49050137 VSUUQRZGWLNIQQ-NNJHRLFQSA-N 380.467 3.411 0 1 GGAF COc1ccc(Cl)cc1N1CC(=O)N(c2cc(Cl)ccc2OC)CC1=O 98085440 KNWDTMJWDNEWOA-UHFFFAOYSA-N 395.242 3.390 0 1 GGAF CN(CCCCO)C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 143494640 CWHWUZPSMAZFMX-IBGZPJMESA-N 379.378 3.310 0 1 GGAF O=c1c2ccccc2ncn1CCCCCN1CCN(Cc2ccccc2)CC1 299858863 DYBXDQPAKLWKBW-UHFFFAOYSA-N 390.531 3.385 0 1 GGAF COc1cc(NC(=O)COc2cccc(Cl)c2Cl)c(C(N)=O)cc1OC 473115247 QVKPYWIOIGHRAS-UHFFFAOYSA-N 399.230 3.127 0 1 GGAF CCNC(=O)CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587231261 VCHVDQJUMDFBMB-UHFFFAOYSA-N 380.164 3.293 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCC(C(=O)O)CC4)cc1)[C@@H](C2)C3=O 587435193 DHLFKMBKJZYMHJ-AVRDEDQJSA-N 393.439 3.485 0 1 GGAF O=C1CSC[C@@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)N1 587042763 FZDRWQFMMISNAQ-ZETCQYMHSA-N 380.189 3.248 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@H](C)C(=O)O)c(OC)c1)[C@@H](C2)C3=O 587441933 VNPHNGGOUXDBEW-SAUNLDPVSA-N 384.384 3.044 0 1 GGAF COc1ncnc(OC)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587776195 BVWGZKQVCIAXCR-RMLUDKJBSA-N 382.233 3.019 0 1 GGAF CC(C)(Oc1ccc(Br)cc1)c1nc2c(O)nc(S)nc2[nH]1 586995910 LHBFEDRGKXPQRG-UHFFFAOYSA-N 381.255 3.424 0 1 GGAF CN(C)CCOc1ccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587173848 BFPRGYIBROQOFR-QGZVFWFLSA-N 381.455 3.366 0 1 GGAF Cc1cc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2cc1Cl 587227760 WGSHRIUNIUOPGS-UHFFFAOYSA-N 386.839 3.067 0 1 GGAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN[C@@H](C(=O)O)[C@H]1C4)-c1ccccc1C2=O 587096132 HAKCCISURCIQMT-CKRFGLGXSA-N 384.435 3.142 0 1 GGAF COc1cc2c(cc1OC)[C@@](C)(c1ccc3c(c1)n(C)c(=O)n3C)N(C)[C@@H](C)C2 962644460 YBIWDTYJNCRJDG-LFVRLGFBSA-N 395.503 3.034 0 1 GGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(CC[C@@H](C(=O)O)c3ccccc32)N1 963237767 UGFRDWTXTCRBFA-XLHILCRZSA-N 388.423 3.039 0 1 GGAF NC(=O)c1cccc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)nnnc12 143384071 YVLYOEGGTCIHIE-UHFFFAOYSA-N 381.745 3.408 0 1 GGAF COc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)ccc1-c1cn[nH]c1 1772653316 GJQXDMZVTHNNHF-CYBMUJFWSA-N 379.416 3.348 0 1 GGAF Cc1ncc2c(c1CNC(=O)c1ccsc1)CCN(C(=O)/C=C/C(C)C)C2 11995300 YEIIHHBTGNVLRL-SNAWJCMRSA-N 383.517 3.478 0 1 GGAF COCc1c(C(=O)NC2CCCC2)cnn1-c1nccc(-c2cccs2)n1 12028183 MBLLQUDLMSWQFB-UHFFFAOYSA-N 383.477 3.210 0 1 GGAF O=C(NCCO)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1 13560641 VKIXPTPAIVWSBW-UHFFFAOYSA-N 381.398 3.478 0 1 GGAF CN(C)CCNC(=O)c1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1 13648371 JOOCYOYATLAZKH-UHFFFAOYSA-N 396.882 3.227 0 1 GGAF CCCS(=O)(=O)c1ncc(CN2CCCCCCC2)n1C[C@@H]1CCCO1 15071523 DCOCBHKIWIQCQC-SFHVURJKSA-N 383.558 3.012 0 1 GGAF Cc1ccc(CN2C(=O)[C@@](O)([C@@H]3C(=O)N(C)c4ccccc43)c3ccccc32)cc1 206045806 WZMRHTUMZNQGSL-DHLKQENFSA-N 398.462 3.490 0 3 GGAF O=C(Nc1ccn(S(=O)(=O)[C@H](F)c2ccccc2F)c1)c1ccccn1 206051083 XEZJWBDPHNNDGW-INIZCTEOSA-N 377.372 3.121 0 1 GGAF Cc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(OC(F)F)c4)C3)ccc2n1 1857754098 PDKJRBDJSDOOQI-UHFFFAOYSA-N 398.413 3.467 0 1 GGAF COc1ccc(-c2nc3cnc(N(C)C)nc3n(Cc3cccs3)c2=O)cc1 4238990 IYWBDQSVJODKBK-UHFFFAOYSA-N 393.472 3.038 0 1 GGAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)c2)cc1 4894411 WNZXJYLVHSKSSF-YKLJGAPNSA-N 388.423 3.259 0 1 GGAF CC[C@@H](C)NC(=O)CCC(=O)N1Cc2cccc(OC)c2Oc2ncccc21 6902130 QWUNMNJZXYMFKS-CQSZACIVSA-N 383.448 3.424 0 1 GGAF CC(=O)O[C@H]1C[C@@H]2[C@@H](OC(C)=O)C3=C(C)[C@H](OC(C)=O)C[C@]3([C@H]1C)C2(C)C 100783921 LCYMMMXHRHJXJB-TYHZNGLHSA-N 378.465 3.184 0 1 GGAF endogenous,in-man C[C@@H](Nc1c(Nc2ccnc(Nc3ncccn3)c2)c(=O)c1=O)c1ccccc1 100081296 QBJIOCUFCVQFQI-CYBMUJFWSA-N 386.415 3.128 0 1 GGAF CCC[S@@](=O)CCCNC(=S)Nc1cc(OC)c(Cl)cc1OC 66102263 SAHVFUOLJRQJAS-QHCPKHFHSA-N 378.947 3.192 0 1 GGAF CC(C)CCC[C@H](C)NC(=O)C1=NO[C@H](C(O)(C(F)(F)F)C(F)(F)F)C1 35942989 GIVCTRMYQCEGCH-ONGXEEELSA-N 392.340 3.318 0 1 GGAF COc1ccc(CC2(CCCCCC[C@H](F)CF)C(=O)NC(=O)NC2=O)cc1 1911571809 ZJVORNZEDYXDGJ-HNNXBMFYSA-N 396.434 3.238 0 1 GGAF CC(C)CNC(=O)c1cnc(NCCCN2CCCC2)nc1NC1CCCC1 45320056 GYWPPKLTMNZIOY-UHFFFAOYSA-N 388.560 3.115 0 1 GGAF CC(C)Nc1nc2c(-c3cc4c([nH]3)[C@@H](C)NC4=O)c(F)ccc2c(=O)n1C1CC1 222404321 YWQCLSBVOVPANW-SNVBAGLBSA-N 395.438 3.490 0 1 GGAF Cn1c(OCc2cc(-c3cccc(Cl)c3)on2)nnc1-c1cc[nH]c(=O)c1 143014834 UUPRDNMOMBWQCQ-UHFFFAOYSA-N 383.795 3.058 0 1 GGAF C[C@@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Oc2ccccc2)C1 95571640 KKFKLLKJGDFZBA-AWEZNQCLSA-N 379.464 3.059 0 1 GGAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 299875705 DJGARSHNWDGLPW-BHIYHBOVSA-N 375.469 3.031 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@H](C(=O)Nc1cccc(Br)c1)C2 473154706 KOSUCKLBBCJIND-CQSZACIVSA-N 390.233 3.460 0 1 GGAF CCOc1cc(CC(=O)O[C@H](C)CC)c(F)cc1OCC(=O)N(CC)CC 299831910 JGXDQUZWSMRXMM-CQSZACIVSA-N 383.460 3.356 0 1 GGAF COc1ccc([C@]2(CO)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587805919 GQLRWYHKIYFSLQ-VOJFVSQTSA-N 380.257 3.367 0 1 GGAF COc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)n1 587776317 WNMAJWVHXXQOJO-RMLUDKJBSA-N 382.233 3.019 0 1 GGAF COC(=O)[C@@H]1CC(OC)=C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351631 NCMXAYWZXPIXCK-LRXVAGHRSA-N 398.386 3.352 0 1 GGAF CSc1ncc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=N)[nH]1 587845105 MVYQMWMVCNTJJC-ZKANADHPSA-N 397.317 3.310 0 1 GGAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1 587787818 WYTVJMHSSKZNIJ-RTBURBONSA-N 391.471 3.339 0 1 GGAF CCS(=O)(=O)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587039703 DSHFWJOBGZVVAB-ZWKOTPCHSA-N 387.530 3.303 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\NC(=O)CS2)(C2CC2)N1 587858739 TVUVRPMKHANMPT-JOAVZQPOSA-N 397.313 3.432 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc3c2NCCO3)N1 587799027 VVEAXLPXXKDMDY-JDNHERCYSA-N 378.245 3.411 0 1 GGAF CN(C)C(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 587586838 DTNHROCQHWSCJF-XLIONFOSSA-N 378.384 3.125 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cn2)OCCO3)N1 587779159 QMKYWSLAEAIEGM-VVVCHXIZSA-N 379.229 3.378 0 1 GGAF CN(C)c1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)nc1 587195618 YDKXBHJZZBPZPZ-UHFFFAOYSA-N 399.623 3.344 0 1 GGAF COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(Cl)c1O 963239144 ZYQIYLPEAIDGDI-CRAIPNDOSA-N 384.819 3.291 0 1 GGAF CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@]1(C2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962964990 KLVZKEUZOPMGOP-QJHUSKOOSA-N 399.821 3.323 0 1 GGAF COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)N(C)C)=C2 13553860 QDOOJJJGNCOLHH-HXUWFJFHSA-N 399.443 3.326 0 1 GGAF Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccncc3N(C)C2=O)c1 13732981 PGXLLGYCZGYICG-NRFANRHFSA-N 399.454 3.352 0 1 GGAF COC(=O)c1cc2oc1C[C@@H](C(C)C)CC[C@H]1C[C@@H](C[C@](C)(O)C2)OC1=O 13822122 LZBSJKGMAVYZOA-ZYKFEASCSA-N 378.465 3.290 0 1 GGAF CN(C)CCCOc1cccc([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1 169726100 XDJQQPBNBLIYAV-RBUKOAKNSA-N 393.512 3.248 0 1 GGAF COc1ccc([C@H](O)c2nc(C(=O)NCCOc3ccccc3)cs2)cc1 206056799 SLFABIAZLSRCFT-SFHVURJKSA-N 384.457 3.042 0 3 GGAF O=C(Nc1ccc(C(=O)N2CCC3(CC2)CNC3)cc1)N1Cc2ccccc2C1 165833104 PPGXTDQNUGDRES-UHFFFAOYSA-N 390.487 3.060 0 1 GGAF Cc1ccc([C@@H](O)SNNc2ncnc3c2cnn3-c2ccccc2)cc1 1857599283 RWWKFLUVQLWJSC-IBGZPJMESA-N 378.461 3.380 0 1 GGAF O=C(c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCSCC1 866699 QXOACJBLXRBMNS-WCQYABFASA-N 386.399 3.325 0 1 GGAF O=C(O)CCn1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21 13737505 OEBQLSKYDNNLHG-OXJNMPFZSA-N 381.457 3.098 0 1 GGAF COc1cc2c(cc1OC)[C@H]1O[C@H](OC)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 15257526 STJFYCWYHROASW-VWPQPMDRSA-N 399.443 3.378 0 1 GGAF endogenous,in-man O=C1OCCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(O)OCC1=N2 26948697 MZHBVRDYNBBICM-LBPRGKRZSA-N 380.169 3.127 0 1 GGAF CCCCOc1cc(Cc2cnc(N)nc2N)cc(Br)c1OC 27196850 GFQPSCZOWCKSJU-UHFFFAOYSA-N 381.274 3.182 0 1 GGAF CCc1c(C)[n+](N)c(-c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc12 31298137 BAXBAAWVUOSBCO-UHFFFAOYSA-N 383.468 3.413 0 1 GGAF in-man CCCCC[C@@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 34962000 ZHCWBIFELSAWPF-MKRPURARSA-N 381.557 3.406 0 1 GGAF CC(=O)Nc1ccc(Cc2noc(CCC(=O)Nc3cccc(C)c3)n2)cc1 40409356 ZJQPRKPHIFFTBH-UHFFFAOYSA-N 378.432 3.499 0 1 GGAF c1ccc(CN2CC[C@H]3CN(c4ncnc5oc(-c6ccncc6)nc45)C[C@@H]32)cc1 40752503 ZRQSQJJJAAWHOY-OALUTQOASA-N 398.470 3.391 0 1 GGAF CN1CCN(c2ccc(Nc3nc(N)c4ccn(C5CCC5)c4n3)cc2)CC1 53064467 BGAPZCHBUSLCAQ-UHFFFAOYSA-N 377.496 3.234 0 1 GGAF O=C(CSc1nnc(Cn2cnc3ccccc32)o1)Nc1ccc(F)cc1 84727194 HJGQDBLWCYCQJR-UHFFFAOYSA-N 383.408 3.338 0 1 GGAF O=C(c1cc(Br)n[nH]1)N(Cc1ccc(O)cc1F)CC1CCC1 103232616 GPZXSUBMLXFURT-UHFFFAOYSA-N 382.233 3.459 0 1 GGAF Cc1ccc(N2C(=O)c3ccccc3[C@@]2(O)c2ccc3c(c2)NC(=O)CO3)cc1 117131488 LGGRHPOWHSUTQV-QHCPKHFHSA-N 386.407 3.180 0 1 GGAF CCCN1CCN(c2ccc(S(=O)(=O)Oc3ccc(F)cc3)cc2)C1=O 146382192 NYUDOZKAYOPRBP-UHFFFAOYSA-N 378.425 3.245 0 1 GGAF C[C@@H](Cc1ccccc1)N1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 169341408 HVAYCZHHBZEKLI-JQNQMHOCSA-N 389.495 3.200 0 1 GGAF CCOC(=O)[C@H](NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21)[C@@H](C)CC 169369387 PQEMQMZAKUUASG-RIFZZMRRSA-N 396.487 3.300 0 1 GGAF Cn1c(=O)n(C)c2cc(Nc3nc4n(n3)CCC[C@H]4c3ccc(F)cc3)ccc21 299834273 RTOQDKSHWYJEHW-INIZCTEOSA-N 392.438 3.277 0 1 GGAF COC(=O)c1cc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2cc1OC 586966613 GACYPPWHSGJYLB-UHFFFAOYSA-N 397.416 3.095 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(OC)nc3[nH]2)cc1 587040170 LHDSLUGNSOPORE-HNNXBMFYSA-N 384.461 3.253 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c2c1 587082265 MHLPEZDSKJJVTI-LLVKDONJSA-N 381.889 3.101 0 1 GGAF CN(C)CCOc1ccc2nc(C(F)(Br)Br)[nH]c2c1 587086912 ITGZYWYHWQTYTK-UHFFFAOYSA-N 395.070 3.373 0 1 GGAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(CO)ccc2[nH]1 587181119 NCEPCKBMRMLSFD-SECBINFHSA-N 396.232 3.494 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cnn(C)c2)N1 587766461 WJCJQQRHUIZGQB-SZRIQHFXSA-N 393.304 3.175 0 1 GGAF COc1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc(OC)c1O 587787680 WAPXKDNEHUFOES-UHFFFAOYSA-N 393.193 3.413 0 1 GGAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc3nonc3c2)N1 962707636 XXBLTFJEHJZUDS-GJZGRUSLSA-N 381.285 3.069 0 1 GGAF CCOC(=O)[C@H]1CC[C@]2(N[C@H](C(=O)O)Cc3cccc(F)c32)c2ccccc21 962899203 HLHLQVQXWFZSDB-VPKVUBIPSA-N 383.419 3.109 0 1 GGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2cc(Cl)cc3c2OCOC3)N1 963228389 RPZNZPHRKJCZST-OALUTQOASA-N 396.830 3.443 0 1 GGAF Cc1cc(O)nc(-n2ncc(C(=O)NCC3(c4ccccc4)CCCC3)c2C)n1 1857620279 UCTGBLXOINLUAT-UHFFFAOYSA-N 391.475 3.227 0 1 GGAF CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC[C@](C)(C(=O)CO)C=C3CC[C@H]2C(C)(C)[C@@H]1O 2356403022 XJODMDZLXVNEOR-IWCITJEESA-N 378.509 3.029 0 1 GGAF COc1ccc(NC(=O)[C@]2(C)CCN2Cc2cccc(OC)c2F)cc1OC 61898016 VDFVFZFINLSZCB-NRFANRHFSA-N 388.439 3.455 0 3 GGAF COc1ccc(NC(=O)[C@H]2c3ccccc3OCC(=O)N2CC(F)(F)F)cc1 199207025 IWCYKYFECKPRRL-QGZVFWFLSA-N 394.349 3.158 0 3 GGAF O=C1Cn2nnc(-c3ccccc3)c2[C@@H]2c3cc(Br)ccc3CCN12 199736367 IWTJCWKJWKPYBQ-SFHVURJKSA-N 395.260 3.195 0 3 GGAF CCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1F 592945 UFTYIKMLGCMHID-UHFFFAOYSA-N 395.843 3.378 0 1 GGAF O=C(O)Cc1nn(CC(=S)Nc2cccc(Cl)c2)c(=O)c2ccccc12 599193 GGDBSXWPGBPYLT-UHFFFAOYSA-N 387.848 3.117 0 1 GGAF COc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(-c3ccccc3)c2n1 4239114 CNHQHOMOIDSCRV-UHFFFAOYSA-N 383.411 3.343 0 1 GGAF CN1C(=O)c2ccccc2[C@H](C(=O)O)[C@@H]1c1cc(Br)ccc1O 4563653 BQQVIKRYUSRIHZ-GJZGRUSLSA-N 376.206 3.150 0 1 GGAF COc1cccc(CNC(=O)CCC(=O)N2C[C@H]3CCCN3c3ccccc32)c1 6751740 DXFQHPBUGHJZFD-GOSISDBHSA-N 393.487 3.107 0 1 GGAF CON(C)C(=O)C(=O)Nc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 103235983 WRYFLJIALXTXNL-UHFFFAOYSA-N 399.491 3.190 0 1 GGAF CN(C)CCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 28707878 YYLACTGVPGXCRZ-UHFFFAOYSA-N 377.535 3.232 0 1 GGAF CCc1cc(/C=C/C(=O)O)ccc1NC(=O)c1cccc(NC2=NCCCN2)c1 29241108 SWSSTJOKJXGDQH-CSKARUKUSA-N 392.459 3.360 0 1 GGAF COc1cc2c(cc1OC)[C@]13CCN4CCC[C@]5(CCO[C@@]415)CC[C@H]3N2C(C)=O 2356533704 PWOCPVXCFAKUOV-BXXSPATCSA-N 398.503 3.073 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CCC2=C[C@]3(O)OC(=O)C(C)=C3[C@H](OCC)[C@@]2(C)[C@H]1C 2356565460 CKEDEJUNOHYEPP-WAKPNASMSA-N 390.476 3.208 0 1 GGAF CN1CC=C(c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cc2)CC1 40979238 NISIBNYYXZEKDS-UHFFFAOYSA-N 385.411 3.014 0 1 GGAF CC[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82208059 XLTGFMLLKKLNJS-MRXNPFEDSA-N 388.487 3.250 0 1 GGAF CCCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCOCC2)c1 45350054 NJAXNCYAIWEOKJ-UHFFFAOYSA-N 382.526 3.089 0 1 GGAF Cc1nc2cccnc2n2c(-c3cc(OCC4(O)CC4)ccc3Cl)nnc12 145729245 BPNMCMVBWYEKEL-UHFFFAOYSA-N 381.823 3.205 0 1 GGAF CO[C@H](C)c1cn(C2=NCC(=O)N3CCc4c(C5CC5)ccc(F)c4C3=C2)cn1 149293576 RDYYIBJARKPHCO-CYBMUJFWSA-N 394.450 3.293 0 1 GGAF CC1=C[C@@](C)(c2cc(NC(=O)c3ncc(F)cc3F)ccc2F)N=C(N)O1 148110183 NLZUBTIPFTUSGV-SFHVURJKSA-N 376.338 3.215 0 1 GGAF O=C(Nc1ccccc1N1CCNCC1)c1csc(NCc2ccccc2)n1 96269634 ZGVXYQMJVRHWPL-UHFFFAOYSA-N 393.516 3.417 0 1 GGAF C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@]12C)[C@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 263590611 BMSROUVLRAQRBY-LJNBHHBHSA-N 394.596 3.356 0 3 GGAF COc1ccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)ccn2)cc1OC 621429401 YEHFNAOTSFBQCZ-LJQANCHMSA-N 392.455 3.099 0 1 GGAF O=C(OCc1cccs1)c1cnn2c1[nH][n+](=O)c1ccc(-c3ccco3)cc12 377836360 OFRNBOSQALNXPR-UHFFFAOYSA-O 393.404 3.409 0 1 GGAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(N)ncnc4[nH]3)cc2F)c1 587144164 SLTZDWZPQXJYQE-UHFFFAOYSA-N 379.351 3.115 0 1 GGAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cnccc2[nH]1 586934571 BQLHANZNGDHAFM-OAHLLOKOSA-N 390.534 3.347 0 1 GGAF COC(=O)c1cc(Cl)c2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2c1 587128405 MSNVVCRJMXRPEM-UHFFFAOYSA-N 378.726 3.045 0 1 GGAF COC(=O)c1csc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587852047 JRJFMHZOQGVVBX-FUXBKTLASA-N 385.258 3.455 0 1 GGAF CS(=O)(=O)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608777 SQZBLEFPZMUOFA-WIYYLYMNSA-N 396.420 3.499 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cnccn2)N1 587742839 UGLFFBSJBIMALK-OXNLCKQDSA-N 391.288 3.231 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2c1 586878236 BJFSXNCSLLGXMS-FLIBITNWSA-N 399.472 3.406 0 1 GGAF CCS(=O)(=O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 586995322 KCLAHXBBDDCCAX-OAHLLOKOSA-N 395.278 3.201 0 1 GGAF CNC(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587509484 DAYHVEWZQVVQQE-HXUWFJFHSA-N 395.455 3.405 0 1 GGAF O=C(c1ccc(O)cc1O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657122 VYTQOQIBMVESCL-UHFFFAOYSA-N 394.333 3.441 0 1 GGAF COC(=O)c1cccc(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587388414 BSCFHQNJSLUJRN-NRFANRHFSA-N 382.416 3.117 0 1 GGAF COc1cccc2c3c(cnc12)CCN[C@]31c2cc(Cl)ccc2OC[C@@H]1N 963041912 ZSCZPNKHGAVPFC-RXVVDRJESA-N 381.863 3.006 0 1 GGAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(COCc3ncccc32)N1 963192944 PUGMBSOUCGCGGR-SJCJKPOMSA-N 398.768 3.127 0 1 GGAF CCOC(=O)[C@@H]1CSCC[C@]12c1cccc(Br)c1CCN2C 963270694 QSRNYSFHWPUULN-YOEHRIQHSA-N 384.339 3.449 0 1 GGAF CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CN2CCOC2=O)cc1 12316048 GWRGJUOFGAFFTI-GOSISDBHSA-N 396.491 3.116 0 3 GGAF O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)OCO3)N(c1ncccn1)C2 12360820 OFCFRIBTCIXCPK-HXUWFJFHSA-N 384.395 3.156 0 1 GGAF O=C(O)CCC[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 13730271 JUDLSYDCHAYGRJ-CQSZACIVSA-N 382.869 3.052 0 1 GGAF CCOc1cnc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)c1 169709159 GKJLTCHICPRXCL-KSSFIOAISA-N 387.455 3.474 0 1 GGAF Cc1cc(NC(=O)Cn2nnc(-c3ccccc3F)n2)n(C2CCCCC2)n1 1857581344 LEUZIPMMTHOMGN-UHFFFAOYSA-N 383.431 3.128 0 1 GGAF COc1ccc2c(c1O)NC(=O)CN=C2c1cc2c(c(OC)c1)OC(C)(C)C=C2 1857604457 HOAOMJNZMINLIC-UHFFFAOYSA-N 394.427 3.383 0 1 GGAF Fc1ccc(-c2c(-c3cc(-c4nn[nH]n4)ccn3)ncn2CC(F)(F)F)cc1 225945928 YPXMBUYRTBIECY-UHFFFAOYSA-N 389.316 3.494 0 1 GGAF COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4050162 JSRMNRTUYSQWLH-YSNWRPKNSA-N 394.471 3.207 0 1 GGAF CCCNC(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(Cl)c3C)c21 6916249 OHQDPPRTJQJJQW-UHFFFAOYSA-N 386.883 3.292 0 1 GGAF COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@H]1OC(C)=O 14886865 AVICMXMDDSGUEL-LHBNDYAWSA-N 396.487 3.218 0 1 GGAF biogenic CCCCc1ccc(C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)cc1 28004579 RNHPWPGLRFHKPP-KRWDZBQOSA-N 379.420 3.307 0 1 GGAF COc1ccc([C@@H]2NC(=O)N[C@@H](c3ccc4c(c3)CCCC4)C2=O)cc1OC 49785370 QSNWREZNTJHSCO-PMACEKPBSA-N 380.444 3.247 0 1 GGAF COc1ccc(S(=O)(=O)Nc2ccccc2)cc1NC1CCN(C)CC1 58603674 NVGUSXQOMGVXPT-UHFFFAOYSA-N 375.494 3.002 0 1 GGAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@H]12 62027140 GTMOGHHWTKSVCD-MJEZEWASSA-N 377.506 3.257 0 1 GGAF COc1ccc(C(=O)Nn2c(S)nnc2-c2nc(C(C)C)cs2)cc1 64453856 ASJXCMWSXQNLTA-UHFFFAOYSA-N 375.479 3.206 0 1 GGAF COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2ccc(C)cc2)n1 82074597 BVTBUHDZFHOZCL-LJQANCHMSA-N 394.427 3.138 0 1 GGAF O=C(c1cccc(C(F)(F)F)c1F)N1CCn2c(nnc2-c2ccccn2)C1 95565221 DKUSTRSIRZFNBZ-UHFFFAOYSA-N 391.328 3.154 0 1 GGAF COc1ccc(Cl)cc1NC(=O)c1csc2cnc(N(C)CCO)nc12 113654754 PRLPIURZVNQFKS-UHFFFAOYSA-N 392.868 3.034 0 1 GGAF COC(=O)[C@H]1CCN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1 139133604 ZSEKMSKLSQNRSU-HNNXBMFYSA-N 391.431 3.407 0 1 GGAF CN(CCCCO)C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 143494816 CWHWUZPSMAZFMX-LJQANCHMSA-N 379.378 3.310 0 1 GGAF CCO[C@@H](C)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@]12CCN(C)[C@H]3C5 169346401 YLGFGFSODXCCQV-UFLBPXGESA-N 397.515 3.038 0 1 GGAF COc1ccc([C@@]2(O)C(=O)Nc3ccc(-c4c(C)noc4C)cc32)cc1OC 219519999 IBPRLMPOAHPEBK-NRFANRHFSA-N 380.400 3.164 0 1 GGAF COc1cc(Oc2c(OC)cc(OC(C)=O)cc2OC)cc(OC)c1OC 238762881 MMMXVFFCNBQWFJ-UHFFFAOYSA-N 378.377 3.447 0 1 GGAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 261171724 TWEJXTRQRWGQRM-SAZUREKKSA-N 396.488 3.174 0 1 GGAF Cc1cc2[nH]c(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc2c(C)n1 586955998 YCLYZIGZTABZHZ-UHFFFAOYSA-N 376.869 3.290 0 1 GGAF O=S(=O)(NCc1nc2cnc3ccccc3c2[nH]1)c1ccc(F)c(F)c1F 587135953 SRSBHXQRSJAJQI-UHFFFAOYSA-N 392.362 3.007 0 1 GGAF Cc1cc(Br)c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1F 587137877 PVYPXGAPWYJAFR-UHFFFAOYSA-N 384.230 3.087 0 1 GGAF CCCc1nc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)nn1-c1ccccc1F 587154337 CLFGRFCIDVXXIK-UHFFFAOYSA-N 399.451 3.306 0 1 GGAF O=C(O)c1cc2nc(-c3cncc(I)c3)[nH]c2cc1F 587185686 WJKRLLNYISEDPZ-UHFFFAOYSA-N 383.120 3.067 0 1 GGAF COC(=O)c1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587276666 PZAYWEYJIMMMCS-UHFFFAOYSA-N 390.189 3.100 0 1 GGAF CC(=O)Nc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587276705 SJFHLEGSLFFPLR-UHFFFAOYSA-N 389.205 3.272 0 1 GGAF COCCO[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656388 ZFPFEWMGYUHPFJ-GFCCVEGCSA-N 388.370 3.033 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=Cn3c(C=O)cnc32)N1 587776053 VVTCCLLEHGYWEH-BMLIUANNSA-N 376.229 3.249 0 1 GGAF C/C(=C\c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)C1CCCCC1 587967406 JPYLMNTUGPGXMS-BMRADRMJSA-N 396.535 3.297 0 1 GGAF COc1c(Br)ccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c1F 962916453 DVNBHRFRHBXIEK-SWLSCSKDSA-N 398.203 3.424 0 1 GGAF Oc1ccc(-c2ccc3c(-c4cnn(C5CCNCC5)c4)[nH]nc3n2)cc1F 1857617001 BFLCZTCSJCHSAL-UHFFFAOYSA-N 378.411 3.258 0 1 GGAF Cc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@@H]3C2)cc1 20098553 LGHNSILAIFKICR-NHCUHLMSSA-N 380.540 3.356 0 3 GGAF COc1ccc(OC)c(CN2C(=O)CCC[C@]2(C)c2nnnn2C2CCCC2)c1 203465230 DNAYUAJXULMMPD-OAQYLSRUSA-N 399.495 3.233 0 3 GGAF Cc1ccccc1Cc1c(C)nc2c(C(=O)NC[C@@H]3CCCO3)cnn2c1C 3045121 ROHNRTTXIIVTOM-SFHVURJKSA-N 378.476 3.154 0 1 GGAF CN(C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O)c1ccccc1 6802350 IEWITPAVNRZHAF-UHFFFAOYSA-N 384.439 3.045 0 1 GGAF CC(=O)O[C@@H]1C[C@]23C(=C1C)[C@H](OC(C)=O)[C@@H](C[C@@H](OC(C)=O)[C@H]2C)C3(C)C 100783914 LCYMMMXHRHJXJB-WUVLWOOHSA-N 378.465 3.184 0 1 GGAF endogenous,in-man COc1ccc(-c2cn3c(n2)CO[C@H](CNC(=O)Nc2ccccc2)C3)cc1 2356508730 OOWRGHIVPDRRHV-GOSISDBHSA-N 378.432 3.279 0 1 GGAF CCOC(=O)[C@H](C)c1nc(-c2ccc(N(CC)S(C)(=O)=O)cc2)cs1 507040664 UTGLLVACNRPFKV-GFCCVEGCSA-N 382.507 3.263 0 1 GGAF COCCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1 82132487 IXKXCBXIDAWVNQ-IAGOWNOFSA-N 382.508 3.392 0 1 GGAF Cn1cccc1-c1nnc2n1CCN(C(=O)c1cccc(Cl)c1Cl)C2 95565552 LQVTUNHSFVHXPW-UHFFFAOYSA-N 376.247 3.246 0 1 GGAF COc1cc(OC)c2c(=O)n(Cc3cc(OC)c(OC)c(OC)c3)ccc2c1 653748834 SNXGQMFWWGUKQS-UHFFFAOYSA-N 385.416 3.093 0 1 GGAF Cc1c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587076260 SUALKEKDADODKC-UHFFFAOYSA-N 387.852 3.025 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(C(C)(C)C)N1 587845508 BAOQTWBGENGMSB-HWPZZCPQSA-N 392.334 3.408 0 1 GGAF O=C(O)CCc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O 587940547 PVQVUJSFYJGQGI-UHFFFAOYSA-N 377.194 3.216 0 1 GGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 586939672 QWYWWOALAIGHRY-LBPRGKRZSA-N 387.461 3.078 0 1 GGAF CCOC(=O)c1cnn(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)c1 587392660 UXZHCIHAZXFFSE-SFHVURJKSA-N 392.415 3.041 0 1 GGAF CCOC(=O)[C@@]1(c2ccc[nH]2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791613 MFCVOYYVILQKMI-BTDLBPIBSA-N 381.245 3.257 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cccc(C(F)(F)F)c41)[C@@H](C2)C3=O 587423097 QVVXTIVYFNZZIA-VOJFVSQTSA-N 375.302 3.309 0 1 GGAF CN(C)S(=O)(=O)c1cccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 587951493 WLDPYWAXRAXNJE-UHFFFAOYSA-N 389.521 3.299 0 1 GGAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c[nH]c(C(=O)O)c1)[C@@H](C2)C3=O 587437695 JFWLDSSUEZPARA-AOMKIAJQSA-N 375.380 3.413 0 1 GGAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc2ncnn12 587585670 GPDHOKSQEGKFLT-UTKZUKDTSA-N 388.383 3.015 0 1 GGAF COc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 12206673 SJRPABQRKFKLQZ-QGZVFWFLSA-N 392.496 3.025 0 3 GGAF O=C(O)C[C@@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)C(=O)c2ccccc21 13601290 QEISRRCLFIVFMK-HNNXBMFYSA-N 377.318 3.446 0 1 GGAF C[C@@H]1CCCN(C2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)C1 1857534307 CTOPGGQMBXKITK-CQSZACIVSA-N 388.480 3.173 0 1 GGAF Cc1cc(Nc2nc(C(=O)NCCCN3CCOCC3)cs2)ccc1Cl 1857607349 YVPFJCPZXLCQPY-UHFFFAOYSA-N 394.928 3.301 0 1 GGAF CC(C)=CC[C@@]12C[C@H]3C(=O)O[C@@H](CC(C)C)C(=O)N3[C@@H]1N(C=O)c1ccccc12 1857768765 XHYHTGJZXZEXDW-ZZTDLJEGSA-N 396.487 3.156 0 1 GGAF COC(=O)c1ccc(NC(=O)c2c(NO)cc(-c3ccccc3)oc2=O)cc1 103240912 KQFANFCFHQBPDY-UHFFFAOYSA-N 380.356 3.147 0 1 GGAF COc1ccc(-c2noc([C@H](C)NC(=O)Nc3cccnc3)c2C(=O)O)cc1 2356299693 MHRCTHMSOBUHQV-NSHDSACASA-N 382.376 3.326 0 1 GGAF Cc1cc(OCCOCCc2ccccc2)ccc1OC[C@H](O)CNC(C)C 29345299 PCGDGPVSZOKNOE-OAQYLSRUSA-N 387.520 3.371 0 1 GGAF Cc1ccoc1C(=O)Nc1cccc([C@@]2(C3CCCCC3)N=C(N)N(C)C2=O)c1 34949857 CZSNUKITORTJBZ-JOCHJYFZSA-N 394.475 3.403 0 1 GGAF Cn1ccc2c(Cc3nnc4ccc(-c5cccc(F)c5)nn34)cccc2c1=O 73169010 HKEFLAGBYCVHCM-UHFFFAOYSA-N 385.402 3.373 0 1 GGAF COc1ccc([C@@]2(c3cccc(-c4cccnc4)c3)NC(=N)N(C)C2=O)cc1C 45245213 TWVGNKMRZLBNOD-HSZRJFAPSA-N 386.455 3.306 0 1 GGAF CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)ncn1 87613049 VZRNIOWOZNWQIZ-GOSISDBHSA-N 399.882 3.409 0 1 GGAF O=C(N[C@H](CO)COCc1ccccc1)c1csc(Nc2ccccc2)n1 82085978 LQCKIPIGAUHJCI-QGZVFWFLSA-N 383.473 3.194 0 1 GGAF O=C(O)c1cn(Cc2ccc(-c3ccc(F)cc3)cn2)c2c(c1=O)[C@@H](O)CCC2 49072803 LYBSBOMFEFIOAX-IBGZPJMESA-N 394.402 3.166 0 1 GGAF O=C(Nc1ccccc1)c1ccc(CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 195150750 XZZJIUFSZHCKSM-KNPYFFGGSA-N 398.462 3.492 0 1 GGAF COc1ccccc1N1C[C@@H]2C[C@H]1CN2c1ncnc2c1cnn2-c1ccccc1 653745775 TWHZOAJMVSHZKC-ROUUACIJSA-N 398.470 3.292 0 1 GGAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccnc(O)c3[nH]2)c1 587155279 WGPLYAFOCJVDGF-UHFFFAOYSA-N 384.392 3.270 0 1 GGAF CCOC(=O)[C@H](Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(C)=O 586989483 KTYQFCQFVGVXDR-MRXNPFEDSA-N 389.407 3.463 0 1 GGAF CCCCS(=O)(=O)N[C@H](c1nc2cncc(Br)c2[nH]1)C(C)C 586933631 UQOHFSVEJHPAHD-LBPRGKRZSA-N 389.319 3.137 0 1 GGAF COc1ccc(-c2nnc(-c3ccc4nc(/C=C/S(C)(=O)=O)[nH]c4c3)o2)cc1 586926973 RDMATEMIWPUHNU-MDZDMXLPSA-N 396.428 3.304 0 1 GGAF CC(C)(C)c1cccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 586942529 NRNKJFJTARUYRQ-UHFFFAOYSA-N 392.912 3.430 0 1 GGAF CC1=C(c2ccc3nc(-c4cc(F)nc(N5CCCC5)c4)[nH]c3c2)NNC(=O)C1 587177224 CZZQWMLAZXQTPW-UHFFFAOYSA-N 392.438 3.120 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(c1cn(Cc4ccc(F)cc4)nn1)[C@@H](C2)C3=O 587429780 WXOIZAADEWXSCQ-HRAATJIYSA-N 379.391 3.137 0 1 GGAF Brc1ccc(NCCc2nc3nc(Br)c[nH]c-3n2)cc1 586995303 JLOTYUHHYPSOGT-UHFFFAOYSA-N 397.074 3.484 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586901466 HTJJTAJCJRNOQZ-LPHOPBHVSA-N 385.489 3.210 0 1 GGAF Cc1c(O)ccc2c1[C@](c1cc(F)cc(F)c1)(c1ccccn1)N[C@H](C(=O)O)C2 963490484 KFGIMUXFFIVJOV-JTSKRJEESA-N 396.393 3.265 0 1 GGAF Cc1cccc2c1[C@H](c1cnc(N)cn1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963852212 ATQKCLRJJQJJQQ-KUHUBIRLSA-N 398.463 3.093 0 1 GGAF COc1ccc(C[C@]2(C(F)(F)F)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962915290 BTGUHVHYVDRWPY-YJBOKZPZSA-N 383.341 3.434 0 1 GGAF CC(C)c1c(O)c2c3c(c1O)C(=O)C[C@@H](C(C)(C)C(=O)O)[C@@]3(C)CC(=O)O2 13339251 QQOYFHLAUCOYFF-WVDJIFEKSA-N 376.405 3.101 0 1 GGAF biogenic CC1(CCN)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 13534302 CXCOPHKFCPOFFH-UTKZUKDTSA-N 380.479 3.287 0 1 GGAF Cc1nc([C@H]2C[C@H]2c2nc3cc(F)c(F)cc3[nH]2)cc(-n2nc(C)nc2C)n1 205281112 MTCUVANHCYZQST-NWDGAFQWSA-N 381.390 3.408 0 1 GGAF O=C(O)COc1ccc(OCc2cn(-c3ccc(Cl)cc3)nn2)cc1F 1857542100 KPHSUSKFOJSFOJ-UHFFFAOYSA-N 377.759 3.102 0 1 GGAF N=c1[nH]cnc2c3c(n(-c4ccc(CC(=O)NCc5ccccc5)cc4)c12)CCC3 1857553205 RHMGZTQQBHCWLD-UHFFFAOYSA-N 397.482 3.181 0 1 GGAF CC(=O)Nc1ncc(CN2CC[C@]3(CCN(c4cc(C)ncc4C)C3)C2)s1 1857572895 GESPHCYALBESRP-FQEVSTJZSA-N 385.537 3.216 0 1 GGAF O=C(CCNC1CC1)Nc1sc2c(c1-c1nc3cnccc3s1)CCNC2 1857587102 SNJIFLYWOLVCPA-UHFFFAOYSA-N 399.545 3.146 0 1 GGAF COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@@](=O)C3)c1 4106121 SDVNINYNJKPZGU-HHHXNRCGSA-N 385.420 3.035 0 1 GGAF O=C(O)Cc1nn(CSc2nc3ccccc3s2)c(=O)c2ccccc12 13860809 GELCCPBUXPMSIJ-UHFFFAOYSA-N 383.454 3.383 0 1 GGAF CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N[C@H](C)CCc1ccccc1 20574933 PXZRGLBWZCDTQN-CYBMUJFWSA-N 378.494 3.108 0 1 GGAF CC1(C)OC(=O)C(Oc2ncccc2Cl)=C1c1ccc(S(C)(=O)=O)cc1 26966368 BGRMBRVQUPSOJL-UHFFFAOYSA-N 393.848 3.264 0 1 GGAF c1ccc2nc(COCc3ccc(OCCCc4nnn[nH]4)cc3)ccc2c1 28218614 ZTEWZFDROJQEER-UHFFFAOYSA-N 375.432 3.476 0 1 GGAF O=S1(=O)NCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 28388080 DSAFTNAGTDWVPT-UHFFFAOYSA-N 377.554 3.418 0 1 GGAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@@H]1CCCC[C@@H]1OC 29331358 KUVDELQPGAIHCS-ZWKOTPCHSA-N 397.947 3.330 0 1 GGAF CCN1C(NCCCOC(C)C)=N[C@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C 36381723 YDRNLDNTYMCTTD-BHIYHBOVSA-N 375.513 3.002 0 1 GGAF CCCCO[C@@H]1C[C@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40412913 RTGSUFNIQMVPQC-XJKSGUPXSA-N 380.876 3.481 0 1 GGAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@@]43C)[C@@H]1CCC2=O 40440242 HMABERXDSMXWFO-KZVLABISSA-N 390.549 3.217 0 1 GGAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(CCCO)[nH]c2c1 43077365 NOPCXLWIIFWUSE-UHFFFAOYSA-N 399.443 3.358 0 1 GGAF Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3ccccn3)[C@@H]2C)c1 68205485 YMUFJVXLZBNCCA-ROUUACIJSA-N 391.475 3.290 0 1 GGAF CCCCOCCCNC(=O)CN(C)C(=O)c1coc(-c2ccccc2C)n1 82073740 YJYQNSAXRUJRMQ-UHFFFAOYSA-N 387.480 3.045 0 1 GGAF CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 116180540 DTYXCBPUNPXPSX-MRXNPFEDSA-N 389.419 3.163 0 1 GGAF CC(C)[C@]1(C)CC(=O)N(Cc2cccc(C(=O)NCc3ccccc3)c2)C(=N)N1 148337314 OFTSPVADFMQIGQ-QHCPKHFHSA-N 392.503 3.288 0 1 GGAF in-vitro COc1cc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)ccn1 169708458 MISNYDXFQSWHAX-MOFZMDFASA-N 391.443 3.403 0 1 GGAF COCCCOc1cccc([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1 169726013 YBDNSPCVDPDNBZ-QZTJIDSGSA-N 380.469 3.333 0 1 GGAF CCCC[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 257409862 DTVYAHOULQCSMS-ZMHCGXDXSA-N 387.476 3.090 0 1 GGAF COc1ccc(CCNC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 473150245 LLZBHPGNKFIHAD-UHFFFAOYSA-N 381.520 3.201 0 1 GGAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccnc(O)c4[nH]3)c2)cc1 586930462 FBKCBJDVHADUNN-UHFFFAOYSA-N 394.456 3.464 0 1 GGAF COC(=O)c1cc2nc(-c3nn(C)c(O)c3F)[nH]c2c(F)c1Nc1ccccc1 587155883 OABNLJUTZJRHEL-UHFFFAOYSA-N 399.357 3.477 0 1 GGAF Nc1ccc(C(=O)CCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 587251221 CIICXLGQNPJXRA-UHFFFAOYSA-N 388.221 3.421 0 1 GGAF COC(=O)CC[C@H](N)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587258856 UXQDEZITKZNYMY-ZETCQYMHSA-N 396.163 3.177 0 1 GGAF COC(=O)[C@]1(/C=C(\C)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346971 CXUJVMGAXJLCCN-MBQNMEIASA-N 386.375 3.352 0 1 GGAF COC(=O)[C@@H]1CC(OC)=C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351627 NCMXAYWZXPIXCK-KPLVRAHFSA-N 398.386 3.352 0 1 GGAF CCOC(=O)C[C@]1(c2ccc(Cl)cn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424214 XRZBFAGPQUYKGW-VLIAUNLRSA-N 387.819 3.340 0 1 GGAF CN1N=C(C(=O)O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518573 LJYYIRJXPMYZMC-QFIPXVFZSA-N 376.412 3.317 0 1 GGAF CCC[C@@]1(CC(=O)C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594311 GJUSCGKPGVJRIG-AVRDEDQJSA-N 398.411 3.415 0 1 GGAF CCN(CC)c1ccc(-c2nn(C(=O)C[C@@H](C)O)c(=O)c3ccccc23)c(O)c1 587666883 HAAKOWSYFIMXSP-CQSZACIVSA-N 395.459 3.026 0 1 GGAF N[C@H]1CC[C@@H](Nc2ccnc(O)c2-c2nc3c([nH]2)C[C@@H](C(F)F)CC3)CC1 653729573 FEKGHDGNDDKNNQ-SDDRHHMPSA-N 377.439 3.229 0 1 GGAF CCn1cc([C@]2(c3ccccc3)NCCc3ccc(C(=O)N(C)C)cc32)c(C)n1 962931755 PGIGBUSBGZFKRZ-XMMPIXPASA-N 388.515 3.351 0 1 GGAF Cc1ccc2c(c1)[C@]1(N[C@H](C(=O)O)Cc3ccc(O)c(C)c31)c1ccccc1C2=O 963529157 VLQBHPGWAHRXIQ-NBGIEHNGSA-N 399.446 3.444 0 1 GGAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc(O)c1OC 2356645183 HWUXVEOGRHSOBG-LHHVKLHASA-N 386.400 3.213 0 1 GGAF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356682212 HFKAIASGHCYYRR-URVIMVHSSA-N 392.536 3.253 0 1 GGAF CCC=CC[C@H](O)C=CC=CC[C@@H](O)C=CC=CC=C[C@@H](O)CCC(=O)O 2356759719 QBTJOLCUKWLTIC-PCCBWWKXSA-N 376.493 3.461 0 1 GGAF CC(=O)O[C@H]1[C@@H](OC(=O)C=C(C)C)c2c(ccc3c2OC(=O)CC3)OC1(C)C 2356767199 TZFHWBOBWQNLFR-PMACEKPBSA-N 388.416 3.191 0 1 GGAF CC[C@H]1Nc2ncnc(N3CCCCC3)c2N(Cc2ccc(OC)cc2)C1=O 61959769 FAUGIRFPJBRXLD-QGZVFWFLSA-N 381.480 3.213 0 3 GGAF CCCOc1ccc(C2=c3cc(OC)ccc3=NC(c3cccs3)=NN2)cc1 104229714 BUEPPXCHUALKKF-UHFFFAOYSA-N 391.496 3.287 0 3 GGAF CCOC(=O)Cn1cnc2c(SCc3cc(Cl)ccc3F)nc(O)nc21 3611886 CZXAAAJBPVIBNU-UHFFFAOYSA-N 396.831 3.180 0 1 GGAF COc1cccc(NC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)c1 4057479 JQTJFTYSSQMFNE-UHFFFAOYSA-N 386.471 3.168 0 3 GGAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O 4295002 JWAXXTVDUIEOLY-SQNIBIBYSA-N 375.469 3.078 0 1 GGAF Cc1cc(S(=O)(=O)NC2=NCc3c(F)cccc3N2)c(S)cc1Cl 6521603 ZRAASOQUDUYBQO-UHFFFAOYSA-N 385.873 3.336 0 1 GGAF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)C(Cl)(Cl)Cl 10450431 DZQMDUVMVWFGRX-ZETCQYMHSA-N 395.091 3.273 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc([C@H](C)N3CCOCC3)cc1)C2 28334348 CQESHWHFRATISZ-NYHFZMIOSA-N 397.471 3.283 0 1 GGAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCc1ccc(O)cc1 26948232 WUOSFMIYDBTNGO-GOSISDBHSA-N 389.492 3.254 0 1 GGAF CC[C@@H]1CN2C(=O)N(Cc3ccccc3)c3nc(-c4cc(C)nn4C)[nH]c3C2=N1 72111099 WORWRFFHAOPSQM-OAHLLOKOSA-N 389.463 3.100 0 1 GGAF Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCC[C@H](O)C3)cc2F)cn1 224798558 NAZOFBBKHRHLHR-HNNXBMFYSA-N 392.434 3.129 0 1 GGAF NS(=O)(=O)c1ccc(Oc2ccccc2)c(C(=O)NCc2ccccc2)c1 49784580 RVAUZMFMCLNUET-UHFFFAOYSA-N 382.441 3.056 0 1 GGAF Nc1cnc(-c2ccc(-c3ccccc3C(=O)NC3CCOCC3)cc2F)cn1 224854132 ACUWNUVNVHSYRI-UHFFFAOYSA-N 392.434 3.441 0 1 GGAF O=S(=O)(c1ccccc1)c1cc(-n2cccn2)c2oc3c(c2c1)CNCC3 143266185 GILOXZLHUOJTJX-UHFFFAOYSA-N 379.441 3.097 0 1 GGAF OC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(CC3CC3)CCCCN21 95875268 LPVOCHZCCVGHEL-SGNDLWITSA-N 377.532 3.383 0 1 GGAF COc1ccccc1N1CCN(CCCCNC(=O)N(C)c2ccccc2)CC1 653707441 SSFLFRPKMGNFFZ-UHFFFAOYSA-N 396.535 3.443 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCC(=O)NCC1CC1)O2 587385853 FKRUVNTZOJZYCA-FQEVSTJZSA-N 380.444 3.189 0 1 GGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1C[C@H]3[C@H](C(=O)O)[C@H]1C(=O)O 587207709 VPGBYARLZWFPBK-HTLFUODRSA-N 385.375 3.432 0 1 GGAF N=c1[nH]c2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc(O)c2o1 587575026 HUDHFVWNUPPVLO-LPHOPBHVSA-N 390.351 3.354 0 1 GGAF CCOC(=O)[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587767261 AGSBUPXSBOMJMT-ZMZPIMSZSA-N 393.256 3.324 0 1 GGAF NS(=O)(=O)c1cccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 587782223 JHHWUFGZABMEBP-UHFFFAOYSA-N 395.440 3.162 0 1 GGAF O=C(O)c1ccc([C@@H](O)CNc2cc(Br)cc3[nH]ncc23)cc1 1772573278 SAKBYQTXJUZQMF-HNNXBMFYSA-N 376.210 3.169 0 1 GGAF COc1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cn(C)c2c1 13447780 JSVMZIMMLIKDPH-UHFFFAOYSA-N 385.423 3.246 0 1 GGAF CC(C)(C)c1cc(/C=C2\CCN(CCO)S2(=O)=O)cc(C(C)(C)C)c1O 13558275 ZDEAWOUHWYJBAN-RVDMUPIBSA-N 381.538 3.356 0 1 GGAF N=C1NC(=N)N(c2ccc(Cl)cc2)[C@@]2(CCCN(Cc3ccccc3)C2)N1 1857538004 WBSUGTUOYYYWIV-HXUWFJFHSA-N 382.899 3.201 0 1 GGAF OCCc1ccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)s2)cc1 1857566816 XNVCHGQLJXLORW-IBGZPJMESA-N 380.517 3.475 0 1 GGAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)N[C@@H]3CCC[C@@H]3O)CN(C)[C@@H]1C2 3799250 IMSDOBUYDTVEHN-NLXHMFRLSA-N 395.547 3.212 0 1 GGAF C[C@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)NCCc4ccccc4)c3)C(=O)[C@H]12 100812295 ZXHQTJPZUUHPHZ-ZLGUVYLKSA-N 388.467 3.361 0 1 GGAF Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@@H]2COc3ccc(F)cc3O2)CC1 27887785 QMKVMMPDZOBAFD-QGZVFWFLSA-N 397.450 3.254 0 1 GGAF O=C(NCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 26177647 ZKJOQIQHASBGPA-UHFFFAOYSA-N 376.859 3.193 0 1 GGAF O=C1CC2(CCCC2)CC(=O)N1CCCCNC[C@H]1COc2ccccc2C1 26018220 ZXXWEZYYAYQNEN-SFHVURJKSA-N 384.520 3.317 0 1 GGAF O=C1[C@H]2C[C@@H](CN2C2CCOCC2)Oc2ccccc2N1Cc1ccccc1 2356737390 OYPKNUHKVIVMGG-PZJWPPBQSA-N 378.472 3.234 0 1 GGAF C[C@@H]1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CCC(=O)[C@]56CO[C@H](C[C@H]1[C@H]2OC(C)(C)O4)[C@H]36 503897810 MCAQGJLESVGGDM-ZVRQTEGTSA-N 388.504 3.142 0 1 GGAF biogenic COc1cc([C@H]2Oc3ccc4ccc(=O)oc4c3O[C@@H]2OC)cc(OC)c1O 238741420 DXBMMMITVSFLLA-QUCCMNQESA-N 386.356 3.001 0 1 GGAF CC(=O)O[C@@H]1O[C@@H]2OC(=O)C[C@H]1[C@@H]2[C@]1(C)CCC2=C([C@H]1C)[C@H](O)CCC2(C)C 238755832 NCFPCQOZRDZFNU-XGLYMHNKSA-N 392.492 3.325 0 1 GGAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(CC)C(=O)c1ccc(F)cc1 95895424 BFKGWLLXKNNDRP-ONTIZHBOSA-N 398.478 3.053 0 1 GGAF FC(F)(F)COc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2Cl)nc1 149993916 GKZIIVLHQPGYIY-AWEZNQCLSA-N 388.777 3.476 0 1 GGAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O 299876486 FUNHIYOIEIVJNW-SLFFLAALSA-N 385.508 3.485 0 1 GGAF O[C@@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@H]([C@@H]3[C@H]5[C@@H]4[C@H]31)N2CCNc1ccnc2cc(Cl)ccc12 299840574 VKOVOJDEQBXENK-YWZYXLCMSA-N 379.891 3.061 0 1 GGAF Sc1nc(S)c2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2n1 587029633 RCOZTKOPTGPRFS-UHFFFAOYSA-N 397.514 3.452 0 1 GGAF COc1ccc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600141 LTAXHCNQGVRTAW-AVRDEDQJSA-N 392.363 3.343 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cccc(F)c12 587738272 MHXYTLVRTZUSJA-CQLKUDPESA-N 379.204 3.457 0 1 GGAF COC(=O)c1cc2nc(-c3ccc([C@H]4C[C@@H]4C(=O)OC)cc3)[nH]c2cc1OC 587783840 AWIJXZZGKZVZIY-KGLIPLIRSA-N 380.400 3.302 0 1 GGAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(Br)ccc3[nH]2)c1 586939419 OFMGATKXPBFIJW-UHFFFAOYSA-N 383.271 3.007 0 1 GGAF COC(=O)c1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cn1 587126650 DSFUHSOHPJUGNT-UHFFFAOYSA-N 377.282 3.186 0 1 GGAF CCOC(=O)c1ccc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1 587193512 CGNVKZWQQPZWHK-OAHLLOKOSA-N 390.484 3.257 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(C(C)(C)C)N1 587845510 BAOQTWBGENGMSB-QFYYESIMSA-N 392.334 3.408 0 1 GGAF COC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587396036 IUSVMRRZRABATA-QFIPXVFZSA-N 392.411 3.051 0 1 GGAF COC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587378016 LUQUVUMINAXGLJ-FQEVSTJZSA-N 387.819 3.224 0 1 GGAF COc1cccc(CCN=c2[nH]c(N3CCCC[C@@H]3CO)nc3ccccc23)c1 1857557285 KRZVBFJGAJUYSU-GOSISDBHSA-N 392.503 3.066 0 1 GGAF Cc1ccc(C(=O)NCc2ccc(CNS(=O)(=O)c3ccccc3)cc2)cc1 1857633735 NAMRMECMYOXYCL-UHFFFAOYSA-N 394.496 3.404 0 1 GGAF N[C@@H](Cc1cc(CP(=O)(O)O)cc(-c2ccc3ccccc3c2)c1)C(=O)O 1542006 GOPXMKDIVJBBQF-IBGZPJMESA-N 385.356 3.139 0 1 GGAF investigational O=C1CS(=O)(=O)[C@H](c2cccc(Br)c2)N1c1ccc(F)cc1 2504249 LKFGLNSCGITWEQ-OAHLLOKOSA-N 384.226 3.048 0 1 GGAF COc1cc([C@@H]2Oc3c(OC)cc([C@H](O)[C@@H](C)O)cc3[C@@H]2C)cc(O)c1OC 13340399 QUBMZLUMOFMRIA-IXERHHOTSA-N 390.432 3.069 0 1 GGAF biogenic CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)C2(Cc4ccccc4C2)C[C@@H]3[C@H]1C5 13555470 RTJUCZCOZIOVDY-NDOYXKHWSA-N 387.479 3.025 0 1 GGAF CN(C)C(=O)N1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(Cl)cc21 13796097 YFBRPPGCEKVZFL-UHFFFAOYSA-N 376.844 3.483 0 1 GGAF CC(C)Cn1c(CN2CCc3c(Cl)cccc3C2)cnc1S(C)(=O)=O 19217945 ZJDFXHRQROOATL-UHFFFAOYSA-N 381.929 3.154 0 1 GGAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)/C(=C/C=N\OCCN)CC[C@]12O 26472162 WPDRPGKTYNPKGE-LZXFGNAWSA-N 390.568 3.392 0 1 GGAF COC(=O)c1ccccc1C(=O)Nc1ccc2c(Cl)c(OC)oc(=O)c2c1 40818116 DPWNNIUAOSZPPP-UHFFFAOYSA-N 387.775 3.494 0 1 GGAF NCc1ocnc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 66058817 MBTMPDKOAXUEEZ-IBGZPJMESA-N 388.475 3.484 0 1 GGAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCCc1ccc(F)cc1 82207749 LQERMJMIYLBEEC-RPGUYHPLSA-N 390.499 3.237 0 1 GGAF Cc1cccc2cc3c(nc12)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3 95560405 IFFZINNHJQWARJ-QLBJFCOMSA-N 386.495 3.277 0 1 GGAF COc1cc2c(cc1F)OC[C@@]21C(=O)N(Cc2ccccn2)c2ccccc21 103177611 AHIDWEDOSKKCJL-QFIPXVFZSA-N 376.387 3.455 0 1 GGAF COc1ccc(OC[C@@H](N)Cc2ccccc2)c2cc(-c3nc(C)no3)n(C)c12 103224940 YEMSDQULWPGXNB-INIZCTEOSA-N 392.459 3.494 0 1 GGAF Cc1nnsc1-c1noc([C@H]2CCCCN2C(=O)COc2ccccc2)n1 144015134 HBPCWQIREADORP-CQSZACIVSA-N 385.449 3.029 0 1 GGAF N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)NC[C@H]3CCCO3)cc1)C2 166717807 OPOLIZKOKZURQM-HXUWFJFHSA-N 390.443 3.015 0 1 GGAF [O-][n+]1ccccc1SCc1nc2ccc(I)cc2[nH]1 586968759 CMLSTJAEOBATMY-UHFFFAOYSA-N 383.214 3.093 0 1 GGAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(OC)nc1)CC2=O 587485626 JHXCWUKCDVOROY-NRFANRHFSA-N 385.416 3.172 0 1 GGAF COCCc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587584892 BMZCOESODVOZPB-WIYYLYMNSA-N 378.384 3.074 0 1 GGAF CCOC(=O)C[C@]1([C@H]2CCOC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616673 LTXCBJGSIUDOND-BPSNYSSFSA-N 398.411 3.082 0 1 GGAF CCOC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587649417 JDRQVFACEFPFFX-UHFFFAOYSA-N 389.404 3.123 0 1 GGAF COc1ccc([C@]2(CO)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587805922 GQLRWYHKIYFSLQ-ZMZPIMSZSA-N 380.257 3.367 0 1 GGAF Cn1cccc1CN1CCc2sccc2[C@]1(c1nccn1C)[C@H]1CCCNC1 962394420 ATOJKJSRMUVNMB-JTSKRJEESA-N 395.576 3.122 0 1 GGAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cccc3[nH]ncc23)N1 962711759 SVDQWRZKLUQQCH-HZPDHXFCSA-N 379.313 3.409 0 1 GGAF COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(Cl)c1O 963239146 ZYQIYLPEAIDGDI-MAUKXSAKSA-N 384.819 3.291 0 1 GGAF COC1CCC2(CC1)Cc1ccc(OCC(F)(F)F)cc1[C@]21CN(C)C(=N)N1 1772640059 PWSOESGNVPAJGB-DNOPENIRSA-N 397.441 3.424 0 1 GGAF CCC=CC[C@H](O)C=CC=CC[C@H](O)C=CC=CC=C[C@H](O)CCC(=O)O 2356759718 QBTJOLCUKWLTIC-HBMCJLEFSA-N 376.493 3.461 0 1 GGAF COc1cc(C(=O)Nc2cnc(NC(=O)C(C)C)cc2C)cc(OC)c1OC 1358436 ZXFUIXYFFIZARY-UHFFFAOYSA-N 387.436 3.263 0 3 GGAF Cn1nc(C(C)(C)C)cc1NC(=O)[C@]1(C)CCN1C(=O)CCc1ccccc1 61905220 ROCJIOQIKKREKM-QFIPXVFZSA-N 382.508 3.280 0 3 GGAF O=C(Nc1cc(CNC2CCCC2)[nH]n1)Nc1cccc2c1[C@@H]1CCCN1C2=O 12355123 FXEKQVCFIIPBCS-KRWDZBQOSA-N 394.479 3.377 0 1 GGAF O=C(O)Cc1nn(Cc2csc(-c3ccccc3F)n2)c(=O)c2ccccc12 13449073 CKFALBKFAWADSG-UHFFFAOYSA-N 395.415 3.335 0 1 GGAF CC1=C(C(=O)OC(C)C)[C@H](c2c(Cl)cccc2Cl)N(C(N)=O)C(=O)N1 13820450 MVLYZUNXOOVSTL-CYBMUJFWSA-N 386.235 3.364 0 1 GGAF CC[C@H](C)NC(=O)N1CCc2c(cnc(C)c2-c2noc(-c3cscn3)n2)C1 19147781 KNXIJOOWTMTDIY-NSHDSACASA-N 398.492 3.430 0 1 GGAF C[C@@H]1CN(CCNC(=O)CCc2ccc(O)cc2)CC[C@@]1(C)c1cccc(O)c1 27560969 AEHFDSQYDTZIFK-HOYKHHGWSA-N 396.531 3.446 0 1 GGAF COc1ccc([C@]2(c3cccc(-c4cccnc4)c3)NC(=N)N(C)C2=O)cc1C 45245214 TWVGNKMRZLBNOD-QHCPKHFHSA-N 386.455 3.306 0 1 GGAF in-vitro CC(C)(C)c1ccc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100278843 QGHOMGKLGCKRDZ-OXMKXFLHSA-N 393.483 3.333 0 1 GGAF O=C(NCCOCc1cccc(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 116571843 IEVZMFGHWKTRMF-UHFFFAOYSA-N 379.756 3.103 0 1 GGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2N=C(SCCCC(=O)OC)C[C@@H]21 169292886 TUOQTRVLPKMMDB-QKJLJBLWSA-N 383.554 3.338 0 1 GGAF in-man Cn1nccc1CS(=O)(=O)Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586922327 SXGBVIPTNQWONH-UHFFFAOYSA-N 392.790 3.084 0 1 GGAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cccc(C)c4[nH]3)c2)o1 586922575 ANXZMVABTXDZGY-UHFFFAOYSA-N 382.445 3.458 0 1 GGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(Br)cc2[nH]1 587231250 NAFDGLJLFXJLLB-STQMWFEESA-N 380.286 3.362 0 1 GGAF COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587399583 LQTRFLXACIAIHJ-OAQYLSRUSA-N 385.416 3.018 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C(/C=C/C(=O)O)=COc4ccc(F)cc41)[C@@H](C2)C3=O 587426572 DDSPCQBNDUCMTP-UWQVUWMCSA-N 394.354 3.394 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC(=O)N1CCCC1)[C@@H](C2)C3=O 587441769 HAODCTNOQUHKQY-SBUREZEXSA-N 393.439 3.185 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cn(C)nc2C)on1 587871462 IATLWZZHSKURTJ-UHFFFAOYSA-N 395.394 3.473 0 1 GGAF Cc1c(O)ccc2c1[C@@](c1cc(F)cc(F)c1)(c1ccccn1)N[C@H](C(=O)O)C2 963490482 KFGIMUXFFIVJOV-HTAPYJJXSA-N 396.393 3.265 0 1 GGAF COC(=O)[C@@H](O)[C@H](C(=O)Cc1ccc(O)c(CC=C(C)C)c1)c1ccc(O)cc1 2356797600 ODOBJYBFLKOXFR-VXKWHMMOSA-N 398.455 3.036 0 1 GGAF COc1ccc([C@@H]2C(=O)N(C3CCCCCC3)CC(=O)N2C2CC2)cc1OC 3039332 FQHJDMYNQOTZLC-OAQYLSRUSA-N 386.492 3.301 0 1 GGAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCN1CCOCC1 4212401 JAEUCIUVKHTYAA-NHCUHLMSSA-N 387.524 3.149 0 1 GGAF Cc1ccccc1CN1CCC(COc2cccc3nc(N)nc(N)c23)CC1 28971701 DKAFHXHIBWMYTJ-UHFFFAOYSA-N 377.492 3.394 0 1 GGAF O=C(O)CCCCCc1cnccc1CNS(=O)(=O)c1ccc(Cl)cc1 29392353 CYCSGKXUCZQZOB-UHFFFAOYSA-N 396.896 3.401 0 1 GGAF Cc1nc(C)n(-c2cc(C)c3[nH]c(=O)ccc3c2)c1I 29323065 MJZOBVRVLDRLRV-UHFFFAOYSA-N 379.201 3.244 0 1 GGAF Cc1nc(-c2cccs2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNC2CCOCC2)n1 2356834572 KCRDZSBFTTVRLG-QXAKKESOSA-N 398.576 3.460 0 1 GGAF CN(C)C(=O)c1cn(-c2ccc(O)cc2)c2cc(-c3ccncc3)ccc2c1=O 27305767 OJFLLDVOSFYYIZ-UHFFFAOYSA-N 385.423 3.460 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@H]1c1ccc(F)cc1 72138358 CCGOOTKUJLOVPL-SFHVURJKSA-N 393.411 3.200 0 3 GGAF O=C(N1CCCCC1)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72102130 GZBUQSAUJLJQKM-HXUWFJFHSA-N 399.926 3.443 0 1 GGAF Nc1ncc2cc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)ccc2n1 73158306 CHQIIDGJJHNJCO-UHFFFAOYSA-N 377.429 3.075 0 1 GGAF COc1ccc2c(c1OC)[C@H](OC(C)=O)[C@H]1c3c(cc4c(c3-2)OCO4)CCN1C 14931251 WPCZROVYBARYJT-KNQAVFIVSA-N 397.427 3.246 0 1 GGAF biogenic Cc1nonc1C(=O)N[C@H]1CCCc2c1nnn2-c1ccc(C(C)(C)C)cc1 45245743 HTOKQCSNSHYYAP-HNNXBMFYSA-N 380.452 3.064 0 1 GGAF CC(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 82196261 CPGRFDFECUBMHT-UHFFFAOYSA-N 396.413 3.095 0 1 GGAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCc1ccc(F)cc1 82203577 QWUZNVFIRXLSOD-UHFFFAOYSA-N 378.455 3.258 0 1 GGAF O=C(O)c1cn(Cc2ccc(-c3cncc(F)c3)cn2)c2c(F)cccc2c1=O 45337723 JDCVJROQLVBLRY-UHFFFAOYSA-N 393.349 3.483 0 1 GGAF NC(=O)c1ccc(N[C@H]2CNC[C@@H]2c2ccc3cccnc3c2)c2cccnc12 143804752 YBUGOFPWLGAQNY-NQIIRXRSSA-N 383.455 3.049 0 1 GGAF CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3cccc(Cl)c3nc2-1 96909354 MZPFNXXBLYAAFC-OAQYLSRUSA-N 396.830 3.123 0 1 GGAF FC(F)(F)Oc1cc(Br)cc2nc(C[C@H]3COCCO3)[nH]c12 586910512 QADOCBBFVMVZLU-QMMMGPOBSA-N 381.148 3.182 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(COc3ccc(F)cc3)[nH]c2c1 587170195 OMUFNCLACGGSKF-UHFFFAOYSA-N 377.441 3.312 0 1 GGAF CCOC(=O)[C@H]1CCc2ccccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587440331 GCYJHMYQFDNSLD-PNCHPQGNSA-N 378.424 3.464 0 1 GGAF COc1cc(-c2nc3ccc(C(C)=O)cc3[nH]2)ccc1OCC(=O)NC(C)C 587225143 RAFZCSXNFSHSIP-UHFFFAOYSA-N 381.432 3.345 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc([C@H](O)c3ccccc3Cl)[nH]c2c1 587058509 HAMPRGIARCIRPT-QGZVFWFLSA-N 393.896 3.376 0 1 GGAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(CCOc3ncccc32)N1 963171998 CFQXWXKHOUTYFK-YVEFUNNKSA-N 398.768 3.379 0 1 GGAF COc1cc(OC)cc([C@]2(c3ccccn3)c3ccsc3CCN2C(N)=O)c1 962703689 DVPKARQVPTZZCS-OAQYLSRUSA-N 395.484 3.389 0 1 GGAF CCOC(=O)C1([C@@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)CCC1 962660261 GIAFXKCKEOZMEM-GGAORHGYSA-N 396.487 3.282 0 1 GGAF CC(C)(C)OC(=O)N1CCC[C@H]1C[C@@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962915870 VRACXGGICHPLGZ-HZUJVAHNSA-N 392.471 3.429 0 1 GGAF CCN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)[C@H]1CCCNC1 1772587369 BKCJMJUNTPFDRN-HNNXBMFYSA-N 385.512 3.193 0 1 GGAF CC[C@H](O)CNC(=O)c1sc2ncnc(N3CCCCCCC3)c2c1C 11880323 UDVZHGALGBKENF-AWEZNQCLSA-N 376.526 3.271 0 1 GGAF COc1ccc(C[S@](=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1 13605302 PXKLONWVHOFNCZ-MUUNZHRXSA-N 397.456 3.054 0 1 GGAF CCOC(=O)C1=C(C)N2CCO[C@@]2(C)[C@@H](C(=O)OC)[C@@H]1c1cccc(Cl)c1 17218766 SXTPDZQSMBLNMP-HLIPFELVSA-N 393.867 3.112 0 1 GGAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC2(OCCO2)[C@@H]1C/C=C\CCCC(=O)O 169342241 FIVWGSPFTAEYLL-HQJRPSFQSA-N 396.524 3.425 0 1 GGAF Cc1ccnc(NC(=O)c2ccsc2NC(=O)c2nc3cnccc3s2)n1 1857552078 ZROVZPJSBYAEMC-UHFFFAOYSA-N 396.457 3.356 0 1 GGAF CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H]2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@H]1[C@@H]23 8035501 GYOGHROCTSEKDY-WLFKMKKCSA-N 375.509 3.015 0 1 GGAF Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1CCCN1CCN(C)CC1 22928251 LPLGZUZPKACGSS-HKWRFOASSA-N 378.520 3.304 0 1 GGAF C[C@H](NC(=O)COc1ccccc1)c1c(-c2ccc(F)cc2)noc1C(=O)O 2356617120 RMWDMRMIBPPQTK-LBPRGKRZSA-N 384.363 3.435 0 1 GGAF Cc1cc2c(cc1Cl)N(C(=O)CN(C)C)c1ccccc1N(C)S2(=O)=O 28766452 PUKVJAUSTMVJLS-UHFFFAOYSA-N 393.896 3.013 0 1 GGAF COc1ccc(/C=C/C(=O)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC 35901180 GNLOMWQKOAULSY-MKICQXMISA-N 397.427 3.090 0 1 GGAF O=C(O)c1cc(/C=C/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O 72125777 UAHMKJJFOGZIDP-SNAWJCMRSA-N 396.424 3.457 0 1 GGAF COc1ccc(N(C)c2nc(NCCN3CCOCC3)nc3ccccc23)cc1 136980491 VMTJBNWGTFPIJD-UHFFFAOYSA-N 393.491 3.150 0 1 GGAF CN1CCC[C@H]1COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 82073302 SJHIUJMYRWXUPG-WMZOPIPTSA-N 399.516 3.052 0 1 GGAF CC[C@@H](C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224730983 HYWJGELLQQWEKQ-GFCCVEGCSA-N 386.452 3.499 0 1 GGAF O=c1[nH]c([C@H]2CC[C@H]2c2ncccn2)nc2c1cnn2C1CCC(F)(F)CC1 145047633 LRRFQGYMGYXVHJ-OLZOCXBDSA-N 386.406 3.321 0 1 GGAF O=C(NCc1ccc(S(=O)(=O)C2CCCCC2)cc1)N1Cc2ccncc2C1 96283101 FSKWZBIVMXYVIB-UHFFFAOYSA-N 399.516 3.413 0 1 GGAF Cc1nn(C)c(N(C)C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583441 WIBGTAUZYJNKIE-PXNSSMCTSA-N 379.416 3.203 0 1 GGAF Cc1cc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2cc1Br 586929754 ISTDOAXDUKUFDJ-UHFFFAOYSA-N 394.294 3.066 0 1 GGAF COc1ccc2c(c1)C[C@@H](c1nc3cccc(S(=O)(=O)N(C)C)c3[nH]1)CC2 587946092 JRTKTQYANMGJIJ-AWEZNQCLSA-N 385.489 3.094 0 1 GGAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)N1CCNC(=O)C1 587627699 IVJXRVFKNDIGMI-UHFFFAOYSA-N 393.287 3.086 0 1 GGAF COC1=C[C@]2(C[C@H](C(=O)O)C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587810790 LRXCOAKAXVPIAM-BHOZQUNFSA-N 384.245 3.343 0 1 GGAF O=C(Cn1nc(C(F)F)cc1C1CC1)n1ncc2ccc(Cl)cc2c1=O 587652153 XFSIEBHXLSCLLQ-UHFFFAOYSA-N 378.766 3.402 0 1 GGAF COC(=O)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2n1 587077239 SHYSOXYIXGIJSO-UHFFFAOYSA-N 383.795 3.233 0 1 GGAF CC(C)(C)OC(=O)N(Cc1nc2cc3c(cc2[nH]1)OCO3)C[C@H]1CCCO1 587197653 RJJIMEBLSWUMBL-GFCCVEGCSA-N 375.425 3.208 0 1 GGAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@]3(CCCC[C@@H]3CCCO)N12 962673294 UJEPFDPWKVIMBX-NLSFWIRASA-N 382.504 3.491 0 1 GGAF COCCCCn1cc([C@@H](C)N(C(=O)[C@H]2CCNC2)C2CC2)c2ccc(C)nc21 1772593799 HSKVJYZVNXEPBI-MSOLQXFVSA-N 398.551 3.433 0 1 GGAF Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1 5067083 CNOVJBMVNOQPHD-GOSISDBHSA-N 395.484 3.335 0 1 GGAF CCC(=O)[C@H]1CCCN(C(=O)CCc2nnc(-c3ccc(C(C)=O)s3)o2)C1 12112173 GZDOIDNTSRDMAG-ZDUSSCGKSA-N 389.477 3.151 0 3 GGAF COc1ccc(C2=NN(CCCCN(C)C)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474091 ZFPQQBRXDLRJDH-ZWKOTPCHSA-N 387.524 3.398 0 1 GGAF O=C(Nc1ccc2c(c1)CN(Cc1ccc3nsnc3c1)CC2)[C@@H]1CCCO1 15080499 RGYKSXXNQDKAIN-FQEVSTJZSA-N 394.500 3.367 0 1 GGAF CN(Cc1ccccc1)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccccc1 2356298617 OKCHNOVMJSOFRD-ZRBLBEILSA-N 377.532 3.259 0 1 GGAF Cc1cc(CN(C)C)ccc1OC1CN(C(=O)c2nnc(-c3ccccc3)o2)C1 113565453 JEDWHKAWYKJOTJ-UHFFFAOYSA-N 392.459 3.010 0 1 GGAF C[C@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cnc5ccccc5c4)nc3c21 118542027 DGBLDDRCUIKCIY-CYBMUJFWSA-N 385.427 3.052 0 1 GGAF O=C(Nc1cc2ccccc2cc1O[C@@H]1CC[C@@H](O)C1)c1cnn2cccnc12 113651487 AOIYNNISGBAALT-IAGOWNOFSA-N 388.427 3.427 0 1 GGAF O=C(C=Cc1ccccc1)O[C@@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@@H]34)[C@@H]2C1 2356460303 PUFYZCKVLOYPHL-TWGBQZSLSA-N 394.515 3.107 0 1 GGAF Cc1coc2cc3oc(=O)c(CCC(=O)NCCCN4[CH]NC=C4)c(C)c3cc12 2356862646 IUMOARQHJRHRCE-UHFFFAOYSA-N 394.451 3.091 0 1 GGAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](C3=CC(=O)CC3)CC[C@]12O 34894467 CTQXLIFPKAKNFP-SBWCPZHBSA-N 388.548 3.381 0 1 GGAF COc1ccc([C@H]2C3=C(COC3=O)Nc3ccc4[nH]c(=S)[nH]c4c32)cc1O 71317643 BGRCYIDKLIACSX-CQSZACIVSA-N 381.413 3.308 0 1 GGAF F[C@@H]1CNCCC[C@@H]1Oc1cccc2ccc(-c3nnc4ccccn34)nc12 96175005 KDDDVGDVYWKNOE-WBVHZDCISA-N 377.423 3.413 0 1 GGAF CCCCCC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 253638067 NTMSESUVSZGDEE-RYAAQBTLSA-N 383.488 3.006 0 1 GGAF CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1nc(C)cs1 71745201 QRNRMVJRXLKZDY-FQEVSTJZSA-N 398.488 3.169 0 1 GGAF biogenic CC(=O)c1cnn(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578632 ATZVSGHQIWBIHE-UTKZUKDTSA-N 378.384 3.205 0 1 GGAF COC(=O)c1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cn1 587173464 WNRNCRVQEXVCGY-UHFFFAOYSA-N 396.353 3.340 0 1 GGAF COC(=O)c1ccnc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc12 587121119 SVTREZAESLMEIR-UHFFFAOYSA-N 379.220 3.172 0 1 GGAF Ic1cnc2[nH]c([C@@H]3COc4ccccc4O3)nc2c1 586918920 UIVDSELHWBXZQT-LBPRGKRZSA-N 379.157 3.075 0 1 GGAF COC(=O)c1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615748 XZXXKIYZJWIEMY-YOEHRIQHSA-N 383.381 3.338 0 1 GGAF CCCNS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587411396 ZKNFKYAUBOXWNB-FQEVSTJZSA-N 388.489 3.146 0 1 GGAF N=c1[nH]c2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc-2c(Cl)[nH]1 587017591 MGGMRYGMLKTTTR-UHFFFAOYSA-N 394.851 3.208 0 1 GGAF Nc1ccnc2[nH]c(CCC[S@@](=O)c3ccc(Br)cc3)nc12 586959588 KJYGDJPIBYNNBZ-JOCHJYFZSA-N 379.283 3.043 0 1 GGAF Cc1cc2c(cc1O)[C@@H](c1cc(Br)cnc1Cl)N[C@H](C(=O)O)C2 963525491 NCJXBARAPCDERN-JSGCOSHPSA-N 397.656 3.200 0 1 GGAF COc1cc(C[C@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)ccc1O 962982975 XTLYHQPCNKZJJJ-YJYMSZOUSA-N 397.805 3.389 0 1 GGAF NCCNC(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772646443 QVZMOSCPXFWURS-UHFFFAOYSA-N 376.338 3.129 0 1 GGAF O=C(O)CCC[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 13730268 JUDLSYDCHAYGRJ-AWEZNQCLSA-N 382.869 3.052 0 1 GGAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2CCN1CCOCC1 169315323 KDNIVJJYFCANNI-OWAUWMPXSA-N 392.543 3.277 0 1 GGAF CS(=O)(=O)Nc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 164919620 XMQASVQXUPJVGN-UHFFFAOYSA-N 386.454 3.487 0 1 GGAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CC3(COC3)C2)cn1 168562071 LUDFRQWRRMTFEQ-UHFFFAOYSA-N 391.427 3.096 0 1 GGAF CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)COCC(=O)N3CCOC)c1 205226427 OZEZCEASABSINK-UHFFFAOYSA-N 396.487 3.345 0 3 GGAF CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(=O)OC)cc(OC)c21 1857550152 JCECLLWDLSRHBH-UHFFFAOYSA-N 399.451 3.019 0 1 GGAF CC1=C[C@H](CNC(=O)c2ccco2)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 2356321068 LTEAWBCOHFNUQG-IPMKNSEASA-N 388.508 3.113 0 1 GGAF Cn1cc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1 103242978 KNULJCSPCKMYTN-UHFFFAOYSA-N 378.455 3.048 0 1 GGAF O[C@H](c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26008653 UALIIGYAUNFWEZ-SJORKVTESA-N 382.222 3.345 0 1 GGAF COc1cc([C@H]2[C@H]3Nc4ccccc4[C@@H]3C[C@@H]3CCC(=O)N32)cc(OC)c1O 26488037 MZSKXOJALGTISZ-UWUZAJPRSA-N 380.444 3.423 0 1 GGAF CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1nccc2ccccc12)C(C)C 66111570 PCZBLJVAXPRBJR-MJGOQNOKSA-N 399.491 3.212 0 1 GGAF CCC=CCC=CC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C=C[C@@H](O)CC=CCCC(=O)O 2356312722 HLOKCEDYFAXGRQ-AFDCHOCNSA-N 378.509 3.375 0 1 GGAF 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398.470 3.391 0 1 GGAF CNC(=O)Nc1c(OC)c(OC)c2occc2c1OCCN1CCCCC1 29403228 NPCABQKKXHZMPK-UHFFFAOYSA-N 377.441 3.066 0 1 GGAF NCc1nc[nH]c1CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 66058814 CYTAUOCBKIGKQV-HXUWFJFHSA-N 387.491 3.220 0 1 GGAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)OCC(C)(C)N(C)C)co1 82073457 WBNFOJMSIBEXEE-SFHVURJKSA-N 399.491 3.138 0 1 GGAF CN1C(=N)N[C@](c2cncnc2)(c2cccc(-c3cccc(Cl)c3)c2)C1=O 84597051 IVSABKDCMZRDBN-FQEVSTJZSA-N 377.835 3.037 0 1 GGAF CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2ccco2)N(C)C(=O)N1C 95589274 DSXPQSFFKFGQOO-GOSISDBHSA-N 384.388 3.064 0 1 GGAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@@H]4C3=O)c2)cc1 141653530 WNZXJYLVHSKSSF-NSMLZSOPSA-N 388.423 3.259 0 1 GGAF COC(=O)c1cc(Cl)c2nc(-c3cccnc3SCC(=O)O)[nH]c2c1 586966481 FMWHSPLSDZRTFR-UHFFFAOYSA-N 377.809 3.242 0 1 GGAF CC(=O)N[C@H](Cc1nc2nc(Cl)c[nH]c-2n1)c1ccc(Br)cc1 586986699 ZUSAIUHXTHDJGT-LLVKDONJSA-N 394.660 3.140 0 1 GGAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c(S)nc(S)nc2[nH]1 587042018 GSFAZXXKJZQOIE-QMMMGPOBSA-N 395.922 3.239 0 1 GGAF Cc1ccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352632 LMPQXUUGXRIWNA-REWPJTCUSA-N 394.398 3.405 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(CCCOc1ccccc1C(N)=O)[C@@H](C2)C3=O 587432509 MSUUVYGXSZRETH-AOMKIAJQSA-N 381.428 3.159 0 1 GGAF CCOC(=O)C(F)(F)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543913 CSDKIRYJJYOZMJ-KDOFPFPSSA-N 378.327 3.311 0 1 GGAF O=C(O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 587607029 GRSFRWDCNNRHFV-XLIONFOSSA-N 378.336 3.499 0 1 GGAF CN(C)c1nccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587655874 CNLCEMFIIBWJFR-UHFFFAOYSA-N 379.370 3.187 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c3oc(=N)[nH]c3c2)N1 587744302 GWRDBQGFAVVDSF-MLXNANBUSA-N 392.228 3.471 0 1 GGAF CCOC(=O)C1=C(C(=O)OCC)[C@H]2CS[C@@H](CS1)N2Cc1ccccc1 1857588585 UPDNYJHZAJAKQL-CABCVRRESA-N 393.530 3.057 0 1 GGAF CCC[C@@H]1C(O)=C2CC[C@@]3(C)C[C@H](C)[C@H](O)[C@@H](C[C@@H](C)C(=O)C[C@H]1OC2=O)O3 2356846921 ORWMGACNUWRRGW-JQVLZQCJSA-N 394.508 3.464 0 1 GGAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1C(=O)C/C=C/c1ccccc1 61930716 ISUKBEAARGCZEX-GPVJQRHHSA-N 392.455 3.491 0 3 GGAF O=S1(=O)C[C@H](N2CCC(Cc3ccccc3)CC2)CN1CCc1ccccc1 72139839 JPWHMSKJPCWMLS-HSZRJFAPSA-N 398.572 3.198 0 3 GGAF CCN(CC)CCOc1ccc(N2C(=O)c3cc(OC)c(OC)cc3C2=O)cc1 1639170 HHPFCROYRZYMFD-UHFFFAOYSA-N 398.459 3.225 0 1 GGAF Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)c2ccco2)c1C(N)=O 4087362 LEPFGVIGEDBKFL-UHFFFAOYSA-N 384.413 3.320 0 1 GGAF CN(C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)nc3)cc2)C1 28124209 YOKINRLTTWCELM-OAQYLSRUSA-N 393.535 3.465 0 1 GGAF COc1cc(C=CC(=O)OCCCc2cc(OC)c(O)c(OC)c2)ccc1O 2356558142 NANVSEZBOWJRFG-UHFFFAOYSA-N 388.416 3.313 0 1 GGAF O=C(c1ccc(F)cc1)N1C[C@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356638547 ITHXGQVJRCBZSH-WMLDXEAASA-N 375.350 3.220 0 1 GGAF CC(C)CCCCCCC[C@]1(O)C=C[C@H]2N(CCCCNC(=N)N)CCCN21 2356826808 HKMNZDXOJMMSFK-UNMCSNQZSA-N 393.620 3.229 0 1 GGAF O=C(O)CCC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 2356849987 PZFKWKDGOCAIDK-OAQYLSRUSA-N 386.879 3.438 0 1 GGAF COc1ccc(C(=O)Nc2cc(I)ccc2C(=O)O)cc1 66113640 SCTZWHVCPYVIGW-UHFFFAOYSA-N 397.168 3.250 0 1 GGAF Cc1nn(-c2ccccc2)c(C)c1COC[C@@H](O)CN1CCc2ccccc2C1 219746067 HMIUAQCRYLSUHT-QHCPKHFHSA-N 391.515 3.425 0 1 GGAF CCOc1ccc(OCCN2CCN(c3cc(Cl)nnc3Cl)CC2)cc1 34850285 AZGCNGQSHHZWQM-UHFFFAOYSA-N 397.306 3.383 0 1 GGAF COc1ccc(N2C(=O)O/C(=C\c3ccc(O)c(Br)c3)C2=O)cn1 84634108 MYXMYHVJNKBSPG-QPEQYQDCSA-N 391.177 3.083 0 1 GGAF Cc1ccc(N2c3cc(Cl)ccc3S(=O)(=O)c3c(N)nc(N)nc32)cc1 40413498 PTULNMRVYQDYLI-UHFFFAOYSA-N 387.852 3.219 0 1 GGAF COc1cc2c(cc1OC)[C@H]1O[C@@H](OC)c3c(ccc4c3OCO4)[C@H]1NCC2 85801178 JEUAVYPZVKRQOZ-SFHLNBCPSA-N 385.416 3.036 0 1 GGAF in-man CC(C)C[C@H](CO)Nc1nc(SCc2cccnc2)nc2nc(N)sc12 95601549 OZOOZAKVEHZRJN-GFCCVEGCSA-N 390.538 3.175 0 1 GGAF O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)cc1 95563487 UNODWYJNQAHVAZ-UHFFFAOYSA-N 383.260 3.434 0 1 GGAF COc1cc(CO)cc2c(-c3ccc4c(c3)[C@](C)(O)N[C@H](C)C4)ccc(O)c12 95486203 LGSVTHSJPJSFKH-ZLOXQWCVSA-N 379.456 3.413 0 1 GGAF biogenic,in-vitro O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cc2cnccc2[nH]1 95920881 LGQSNALVWIMFPP-UHFFFAOYSA-N 391.452 3.326 0 1 GGAF in-vitro O=c1c2ccccc2ncn1CCCCCN1CCN(c2ccccc2)CC1 299869874 VNYPAFHVRHRWOP-UHFFFAOYSA-N 376.504 3.389 0 1 GGAF COc1cc(/C=C/C(=O)NCCCN(C)Cc2ccccc2OC)ccc1O 653715494 URKNZXSLEDFAAD-ZRDIBKRKSA-N 384.476 3.061 0 1 GGAF CCn1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)F)cn1 587649567 QCJDGMPGKZNBQO-UHFFFAOYSA-N 385.367 3.200 0 1 GGAF COC(CNC(=O)c1[nH]c(C)c(-c2cc3c4c(cccc4n2)CC3)c1C)OC 587213028 XBSHBUOJQKHHNM-UHFFFAOYSA-N 379.460 3.294 0 1 GGAF CC(=O)c1cnn(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587764807 RGXIFCQBQMYIQR-HUTHGQBESA-N 380.261 3.322 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCO)cc1 587596398 OHVNYOVJXDLYMV-UGKGYDQZSA-N 378.380 3.466 0 1 GGAF COC(=O)c1cc(Br)c2[nH]c(-c3cc(N)c(N)cc3F)nc2c1 587136103 JXSGLQCBMQVZJF-UHFFFAOYSA-N 379.189 3.083 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1cc(OC(C)=O)cc(OC(C)=O)c1)[C@@H](C2)C3=O 587442743 NMBWCMCXIXKCRI-PGRDOPGGSA-N 396.395 3.209 0 1 GGAF C[C@@]1(c2cnc3n(c2=O)CCS3)NCCc2cc(-c3ccccc3)ccc21 962658200 CFTMUURSCADUGF-JOCHJYFZSA-N 375.497 3.425 0 1 GGAF COC(=O)[C@@H](C)Oc1c(Cl)cc([C@H]2NCCc3c(C)ccnc32)cc1OC 963070131 FDIVLBVDJSILTP-SJKOYZFVSA-N 390.867 3.227 0 1 GGAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)c(C)c3)nc(CO)c12 1772639630 TVFUIDJQKCDMNH-SNVBAGLBSA-N 389.843 3.303 0 1 GGAF Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5cc(C)c(C)cc54)[C@@H]3N2C)o1 13660630 YUJOHWVYKAPKFZ-UIAACRFSSA-N 378.476 3.246 0 3 GGAF CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@@H](N)CCSC 169349922 FKRBSIPVULUMDG-LYSIVYOWSA-N 376.566 3.304 0 1 GGAF COc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@@H]32)n1 169701360 QKNCGIRCYXKJSV-XLIONFOSSA-N 386.455 3.113 0 1 GGAF O=C(NCC[C@@H]1CCCOC1)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166828218 SZFYSOPDVRXHBL-INIZCTEOSA-N 394.475 3.176 0 1 GGAF CCCNC(=O)c1c(NC(=O)c2ccc(F)c(F)c2F)nc2ccccn12 1857587721 CADLRECVSKRMST-UHFFFAOYSA-N 376.338 3.144 0 1 GGAF COc1cc2ncc(-c3ccc4n[nH]cc4c3)n2cc1S(=O)(=O)C(C)(C)C 1857632499 WGJGVTJTCKJSCU-UHFFFAOYSA-N 384.461 3.458 0 1 GGAF CC(=O)Oc1ccc(-c2cc3ccc(OC(C)=O)c(OC(C)=O)c3oc2=O)cc1 142998937 FGNDKGSLOSUOSM-UHFFFAOYSA-N 396.351 3.236 0 1 GGAF Cc1cc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)nnc1Cl 592396 SYRDOLQNAYZUOF-UHFFFAOYSA-N 376.869 3.458 0 1 GGAF O=C([C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl)N1CCOCC1 772858 GTPBOPRAVDBWFR-HKUYNNGSSA-N 388.826 3.430 0 1 GGAF COc1ccccc1CCn1c(=O)c(-c2cccc(F)c2)nc2cncnc21 4238886 UPFWFCUEEXAGJU-UHFFFAOYSA-N 376.391 3.244 0 1 GGAF COCCN(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccs1 4240625 PLKIKZQGQPAMTA-QGZVFWFLSA-N 376.478 3.230 0 3 GGAF CCCCN(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 4564636 IEYDGXMDZLYIMH-YHELAOLJSA-N 380.488 3.013 0 1 GGAF Cc1nn(C(=O)c2ccccc2O)c2c1[C@H](c1ccccc1O)SC(=N)N2 6483954 UNSFDNVPARPKIO-INIZCTEOSA-N 380.429 3.474 0 1 GGAF COc1ccc(NC(=O)CC23C[C@H]4C[C@H](C2)CC(n2nnc(C)n2)(C4)C3)cc1 101356869 NGMLOZILIZGRKX-AJHHTPGJSA-N 381.480 3.314 0 1 GGAF COc1cc([C@@H]2c3cc4c(cc3N=C3COC(=O)N32)OCO4)cc(OC)c1OC 25994615 UMWGEUNNCILHOO-GOSISDBHSA-N 398.371 3.026 0 1 GGAF CCCCN1C(=O)[C@H](CC(C)C)NC(=O)C12CCN(Cc1ccccc1)CC2 34350290 APZAJCZLYILDDW-FQEVSTJZSA-N 385.552 3.194 0 1 GGAF CSc1ccc(NC(=O)Nc2c(C(C)C)n(C)n(-c3cncnc3)c2=O)cc1 38157790 MKWQMWMCGACQFF-UHFFFAOYSA-N 398.492 3.455 0 1 GGAF NC(=O)c1ccccc1Nc1ccnc(Oc2ccc(N3CCNCC3)cc2)c1 73168737 UHNHUQMERWMFSO-UHFFFAOYSA-N 389.459 3.126 0 1 GGAF Cc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccco2)sc1C 82165816 GWOWODTUUODTJD-CYBMUJFWSA-N 383.477 3.179 0 1 GGAF CCN(C[C@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(C)=O)C(C)=O 95871934 WRPLCDPEUZOWSG-YTFSRNRJSA-N 398.478 3.036 0 1 GGAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Cl)nc2[nH]1 586935499 ILABHWDKOBIVRH-CYBMUJFWSA-N 396.925 3.384 0 1 GGAF N=c1nc(O)c2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2[nH]1 587159904 XYCHLQDYIJYZDD-CQSZACIVSA-N 385.786 3.432 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(CCCN3C(=O)C(CC)=C(C)N[C@H]31)CC2=O 587487193 VSHJBOSIIVLIBC-FGZHOGPDSA-N 384.476 3.284 0 1 GGAF CC(=O)SCc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O 587940731 LKWRTVUWGNQNBC-UHFFFAOYSA-N 394.250 3.374 0 1 GGAF COc1ncnc(OC)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587776214 CBIWPICKVCLISI-RMLUDKJBSA-N 382.233 3.019 0 1 GGAF COc1ccc(OC)c(Nc2ncc(-c3ccc4c(O)nc(O)nc4n3)s2)c1 587563915 MBGJWTFQXQRPLR-UHFFFAOYSA-N 397.416 3.320 0 1 GGAF COc1cncc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 586960218 NAKZJBBXSAOAHT-HSZRJFAPSA-N 394.294 3.469 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(S)nc2O)N1 587844162 MMYCXVRHNQUESE-ZIDLFYJRSA-N 384.274 3.170 0 1 GGAF Cc1ccc(C)c2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12 586947378 XHSIAZSLWXFZRN-INIZCTEOSA-N 385.489 3.304 0 1 GGAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1 587177688 UIJNOZNIPVZKNN-UHFFFAOYSA-N 387.440 3.324 0 1 GGAF COc1ccc2c(c1OC)[C@H](c1ccc(Br)nc1N)N(C)[C@H](C)C2 962567749 JWMBMXMWDCWVPL-HWPZZCPQSA-N 392.297 3.409 0 1 GGAF Nc1ncc(C2CC2)nc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1 1772578179 DNBDOVLORRZVTI-LJQANCHMSA-N 392.434 3.206 0 1 GGAF O=C(c1ccc2nc(N3CCCCC3)sc2c1)N1CCC2(CC1)OCCO2 5144925 RJRMNDLTAPGNTM-UHFFFAOYSA-N 387.505 3.266 0 1 GGAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2O[C@H]([C@H]3O[C@@H]23)[C@@H]1/C=C/[C@H](O)C1CCCCC1 169360643 BLPTUHHFIMEDBU-KDAPCDBPSA-N 376.493 3.466 0 1 GGAF CCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)CC1 5034948 XFETXHXJEFZHHW-UHFFFAOYSA-N 387.867 3.291 0 1 GGAF COc1ccc(OCCN2CCN(C(=O)c3cc4cc(C)ccc4[nH]3)CC2)cc1 29519912 YANXWMHYXTZCSA-UHFFFAOYSA-N 393.487 3.322 0 1 GGAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(F)c2-c2ccccc2)cc1 3814718 FUHLJNQTSZQWBE-UHFFFAOYSA-N 385.342 3.345 0 1 GGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c1 4049325 TWMYJPKVTQAECK-BUKVSMQUSA-N 395.503 3.243 0 1 GGAF C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccc5c(c4)OCO5)C[C@@H]2N3)cc1 100107824 HLKMQIVOFCLILY-UDIUIVOJSA-N 377.444 3.420 0 1 GGAF O=C(Nc1cccnc1)c1c(O)n(Cc2ccccc2)c2c(c1=O)CCCC2 100480128 QXQLNSBSUZNWTC-UHFFFAOYSA-N 375.428 3.128 0 1 GGAF CCOC(=O)[C@@H]1CCCN(C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC=C(C)C4=C[C@H]32)C1 504657006 COBANFXUQLODDA-OMXSJVDPSA-N 387.520 3.496 0 1 GGAF biogenic O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)cc1 45323754 ILFDPRBCGOKYQG-JKSUJKDBSA-N 392.377 3.054 0 1 GGAF O=C(Cc1cn(CNc2ccnc3cc(Cl)ccc23)nn1)N1CCCCC1 96934970 JWPZNUUYYDZKII-UHFFFAOYSA-N 384.871 3.104 0 1 GGAF O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1nnc2cccnc21 144947731 XYDGGRXBTZATHJ-UHFFFAOYSA-N 398.470 3.202 0 1 GGAF O=C(c1nc2scc(C3CC3)n2c1Cl)N1CCN(C2CCCC2)C(=O)C1 299852437 SBAKTYOQFNXYGD-UHFFFAOYSA-N 392.912 3.154 0 1 GGAF OCCCCNc1nccc(NCCNc2ccnc3cc(Cl)ccc23)n1 653858800 ZLRKGMRIBSGTSV-UHFFFAOYSA-N 386.887 3.387 0 1 GGAF COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n2c(C=O)cccc12 587435463 HCCWSUJNGBQYRE-QVKFZJNVSA-N 391.379 3.036 0 1 GGAF CCOC(=O)C(C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OCC 587525003 ORRMFOWDAAVJPB-JOCHJYFZSA-N 388.460 3.422 0 1 GGAF O=S(=O)(NCc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(F)c(F)c1F 587134045 JDVOCKJDYDWACR-UHFFFAOYSA-N 393.749 3.251 0 1 GGAF COc1cc(/C=C\c2nc3c(O)nc(S)nc3[nH]2)ccc1Br 586977701 QLZXMEMSFXYNFH-HYXAFXHYSA-N 379.239 3.289 0 1 GGAF COC(=O)C(=O)C[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810689 VQTNMUVJSZJPFN-BMLIUANNSA-N 386.261 3.106 0 1 GGAF COc1ccc(-c2cc(O)n(-c3nc(N4CCCCC4)ncc3F)c2O)cc1 587945777 QTTGSDWYRYSPLI-UHFFFAOYSA-N 384.411 3.484 0 1 GGAF Cc1c(NC(N)=O)cccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587240766 WIJSTHBIRNGSOM-UHFFFAOYSA-N 389.419 3.088 0 1 GGAF Cn1cccc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342191 MBPKFZRNANREKC-NQIIRXRSSA-N 381.359 3.209 0 1 GGAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587769862 GXGFGGKVHCTABU-JDNHERCYSA-N 379.229 3.393 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(CN(C)S(C)(=O)=O)o1)CC2=O 587483947 GUGUZVBWZWXWPQ-GOSISDBHSA-N 393.461 3.036 0 1 GGAF CN(C)S(=O)(=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 586877934 XSNYIPJASKKYII-UHFFFAOYSA-N 397.500 3.242 0 1 GGAF CCOC(=O)[C@@]1(c2ccc(OC)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515187 LNYHVQANACPFNE-QFIPXVFZSA-N 381.428 3.393 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1nc(-c3ccc4c(c3)OCO4)no1)O2 587393837 AARDLZPRKUXTPT-OAQYLSRUSA-N 393.399 3.323 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\NC(=O)CS2)(C2CC2)N1 587858738 TVUVRPMKHANMPT-IBLTYYDOSA-N 397.313 3.432 0 1 GGAF Cn1cccc1CN1CCc2sccc2[C@]1(c1nccn1C)[C@@H]1CCCNC1 962394428 ATOJKJSRMUVNMB-VGSWGCGISA-N 395.576 3.122 0 1 GGAF COC(=O)[C@@H]1CC[C@]2(C1)N[C@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963200044 WZFPYBJYMANKSK-SEFYAATASA-N 391.773 3.126 0 1 GGAF CNC(=O)c1cccc(Nc2ncnc(N3CC(c4ccc(Cl)cc4)C3)n2)c1 1772613682 IHTCBOCHYVRGQZ-UHFFFAOYSA-N 394.866 3.232 0 1 GGAF CC(=O)NCCN(Cc1ccccc1)Cc1nn(C)c2c1COc1ccccc1-2 1857564556 GODKJEVZMVSWLA-UHFFFAOYSA-N 390.487 3.118 0 1 GGAF CO[C@@H]1O[C@H]([C@@H]2c3cc4c(cc3CCN2C)OCO4)c2ccc3c(c21)OCO3 1857634755 UYKOVOXFSYCDFP-IRFCIJBXSA-N 383.400 3.090 0 1 GGAF CCn1ncc2c1CC[C@H](N=c1nc3c(-c4ccc(F)cc4)cccn3[nH]1)C2 1857637282 RTJRFGHOFZRTRP-KRWDZBQOSA-N 376.439 3.143 0 1 GGAF CCN1CCC[C@H]1Cn1c(-c2ccccc2)nc2c(NCCOC)nc(C)nc21 7991860 CTDDCOQCCOFKAQ-SFHVURJKSA-N 394.523 3.344 0 1 GGAF CS(=O)(=O)c1ccc(CN2CC[C@@H](Nc3cccc4cnccc34)C2)cc1 114336021 IERPXRYTDDRYGB-GOSISDBHSA-N 381.501 3.325 0 1 GGAF C[C@]1(O)CCN(C(=O)C2CC2)[C@H](c2ccccc2)[C@H]1NC(=O)c1ccc(F)cc1 2356706086 RCWPBTWKZRVOCB-VIZSFHNOSA-N 396.462 3.059 0 1 GGAF CCCCC[C@H](O)C=C[C@@H]1OC(=O)C[C@H](O)[C@H]1CC=CCCCC(=O)OC 2356740567 SRJHRLWLWLZJOG-RDGPPVDQSA-N 382.497 3.066 0 1 GGAF COc1ccc([C@H]2NC(=S)N[C@@H](c3ccc4c(c3)CCCC4)C2=O)cc1OC 49088061 LKCKVHMDLOUBCB-VQTJNVASSA-N 396.512 3.412 0 1 GGAF O=S(=O)(Oc1ccc(Cn2ccnc2)cc1)c1ccc(Br)cc1 43470276 FFGXQTLGFCKYSK-UHFFFAOYSA-N 393.262 3.462 0 1 GGAF CCN1CCN(c2cc(-c3n[nH]c4cc(F)c(OC(C)C)cc34)ncn2)CC1 221293133 XTZHYENFLFXLSP-UHFFFAOYSA-N 384.459 3.088 0 1 GGAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1N1CCC2(CCNCC2)C1=O 140534150 FWDIGXJMBTVNDB-FPOVZHCZSA-N 396.579 3.165 0 1 GGAF Cc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)SCC3(F)F)c2)cn1 146628613 CRPLGCKZUCPADZ-MRXNPFEDSA-N 395.410 3.088 0 1 GGAF O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccccc2N1 149507615 CLTAQMJYOUARDB-QHCPKHFHSA-N 392.547 3.132 0 1 GGAF COc1ccccc1OC(=O)C[C@H]1C=NN2c3cc(Cl)ccc3[N+](=O)N[C@@H]12 377605797 QOYVWYKKYMNDJL-BBATYDOGSA-N 387.803 3.021 0 1 GGAF CC(=O)c1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 653871536 IKFAYJBAZGITET-UHFFFAOYSA-N 389.411 3.214 0 1 GGAF Cc1c(Br)cc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c2c1C 587141702 ARHVYRXEWAKIMJ-UHFFFAOYSA-N 398.257 3.396 0 1 GGAF Cc1ccc(N2C[C@@H](C(=O)n3ncc4ccc(Cl)cc4c3=O)CC2=O)cc1 587655191 VSDUGEMRQGCUSJ-AWEZNQCLSA-N 381.819 3.052 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2[C@@H]3[C@@H]4[C@@H]5C[C@@H]([C@H]42)[C@@H]1[C@@H]5C31OCCO1 587493772 VTKVSYQZXFSTIP-OWOBYHHHSA-N 394.467 3.180 0 1 GGAF COc1cc2c3c(c1)O[C@@](CCN(C)C)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O 587427742 UQINXLZPLCQHDU-AOMKIAJQSA-N 385.435 3.438 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC=O)(c2ccccc2)N1 587753970 ILAUIGMUJFNORP-SGTLLEGYSA-N 377.257 3.112 0 1 GGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(F)c(OC)cc3[nH]2)cc1 586940305 ZGLZQAAEJCOKPK-NSHDSACASA-N 377.441 3.454 0 1 GGAF Brc1ccc(Br)c2[nH]c(C[C@H]3COCCO3)nc12 586910355 OPHXMZJUHTZVPN-ZETCQYMHSA-N 376.048 3.046 0 1 GGAF O=[S@@](CCCc1nc2cnc(Cl)[nH]c-2n1)c1ccc(Br)cc1 586959793 MHEKKBGICNBJJE-QFIPXVFZSA-N 399.701 3.461 0 1 GGAF COC(=O)c1ccc(N)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587581876 XMWDFMDHUYODCB-GHTZIAJQSA-N 391.379 3.464 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)CCC(=O)O)c1)O2 587389888 MUHPVFMSPNZKQF-OAQYLSRUSA-N 382.416 3.261 0 1 GGAF Cc1cncc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c12 587184911 HLVQQZWYIHFMFM-GFCCVEGCSA-N 378.217 3.113 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)Oc4c(C)cc(C)cc41)[C@@H](C2)C3=O 587452305 KRKDVBCMXCFIFC-FPTDNZKUSA-N 378.380 3.316 0 1 GGAF CCOC(=O)CC(=O)[C@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962635528 IGSGEUMZGHVWPY-YKSBVNFPSA-N 392.499 3.171 0 1 GGAF COC[C@@H]1C[C@H]1c1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@@H]1CCCNC1 1772584591 VNPQQGXWMYSECL-HBNTYKKESA-N 397.306 3.116 0 1 GGAF CCOC(=O)CCCn1cc(Br)c2cc(OC)c(OC)cc2c1=O 13800916 KKAZUACSUHLBDV-UHFFFAOYSA-N 398.253 3.125 0 1 GGAF COc1ccccc1-c1nnc2n1N=C(c1c(OC)cccc1OC)CS2 13828661 KVFRQGUXSWNDJJ-UHFFFAOYSA-N 382.445 3.329 0 1 GGAF NCCc1cn(S(=O)(=O)c2ccc(Br)s2)c2ccccc12 14975939 HZYPTAOCUMMUQM-UHFFFAOYSA-N 385.308 3.204 0 1 GGAF COCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cc1 1857609243 IJQQAQWTGLRXSE-UHFFFAOYSA-N 384.457 3.384 0 1 GGAF Cn1nccc1Nc1nccc(-c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3)n1 1857616847 VTNWILMIIPGHLR-UHFFFAOYSA-N 397.442 3.172 0 1 GGAF CC(=O)Nc1ccc(-n2cc(COc3ccc4c(C)cc(=O)oc4c3)nn2)cc1 1857633386 FIJQMUMHNCYAEF-UHFFFAOYSA-N 390.399 3.220 0 1 GGAF CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)c2ccco2)C1 2493249 YHRSCQHSHLSNRD-DFQSSKMNSA-N 396.487 3.483 0 1 GGAF O=C(Nc1cccc(F)c1)N1CCCC2(CCN(C(=O)c3cnccn3)CC2)C1 3956196 VNCFNQCJALZZEL-UHFFFAOYSA-N 397.454 3.166 0 1 GGAF O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4054045 DBKBGGCIYBTCQS-ZVDOUQERSA-N 376.412 3.221 0 1 GGAF Cc1cccc2cc(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)c(=O)oc12 6918028 AGUUDDCGVKABFA-UHFFFAOYSA-N 376.817 3.411 0 3 GGAF Cc1c(C(=O)O)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 28379914 HEMUTAUIPMCWCN-UHFFFAOYSA-N 382.383 3.408 0 1 GGAF C[C@@]1(c2ccccc2)NC(=O)N(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1=O 29056218 KAUPEIPHJNYYGS-FQEVSTJZSA-N 382.803 3.110 0 1 GGAF O=c1n(-c2ccc(Cl)cc2)nc2c3cc(Br)ccc3nc(O)n12 66251913 NGVICKDPLPGTHL-UHFFFAOYSA-N 391.612 3.155 0 1 GGAF CC=C(NC(=O)C[C@H](CCCCC)NC(=O)[C@@H](C)[C@@H](N)CCCCC)C(=O)O 2356696594 HBLQRZAKYHYRIC-ULQDDVLXSA-N 397.560 3.090 0 1 GGAF CN(c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1)c1cccc2[nH]ncc12 64512817 JOABAWGYHATDTA-UHFFFAOYSA-N 394.460 3.268 0 1 GGAF COc1ccc(OC)c(-c2oc3cc(OC)c(O)c(OC)c3c(=O)c2OC)c1 14436552 SVEYPRYTAMDPCZ-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic Cc1nc2ccncc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1 40939342 UEABDGOZLNPBSU-UHFFFAOYSA-N 390.487 3.485 0 1 GGAF O=C(COc1ccc(Cl)cc1)Nc1ccc2nc(N3CCOCC3)cnc2c1 40575668 KFNNMYQDUDHGRV-UHFFFAOYSA-N 398.850 3.137 0 1 GGAF CCCOc1c2c(cc3oc(C4(O)CCCC4)cc(=O)c13)O[C@H](C(C)(C)O)C2 85594498 HIDRJAPJSHKNPW-KRWDZBQOSA-N 388.460 3.418 0 1 GGAF biogenic,in-vitro CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(N)cc3)cc21 95561646 YZIRMUQKICQTDZ-KRWDZBQOSA-N 396.443 3.098 0 1 GGAF C[C@H]1NC(=O)Nc2nc3c(-c4ncccn4)cc(-c4cncc(F)c4)cc3n21 299841111 XZGWARYWNCFXAI-JTQLQIEISA-N 375.367 3.348 0 1 GGAF COC(=O)/C(=C/N(C)C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336155 LTEVGEWMEDJMTQ-XUBVYHHCSA-N 399.418 3.267 0 1 GGAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587117178 QLCGESLENHDDMP-UHFFFAOYSA-N 399.804 3.468 0 1 GGAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 587934335 CDYRVELFDSYUAZ-FQEVSTJZSA-N 393.468 3.399 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NCc1cccnc1 587869433 JORJLBWGOHZHEG-UHFFFAOYSA-N 393.394 3.290 0 1 GGAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc3cn[nH]c3cc2[nH]1 586945228 BPDLNXNLDPDTBX-UHFFFAOYSA-N 399.457 3.239 0 1 GGAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@H]1CN(C)CCO1)[C@@H](C2)C3=O 587420728 IXFBDSIMCPLTEF-KPLVRAHFSA-N 399.874 3.322 0 1 GGAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(F)cnc2[nH]1 586945856 MMKSYMRJFUSEMK-UHFFFAOYSA-N 394.478 3.366 0 1 GGAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2nc(Br)c[nH]c-2n1 587232938 GENRVQWAJMBIKA-IUCAKERBSA-N 382.262 3.228 0 1 GGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 586939671 QWYWWOALAIGHRY-GFCCVEGCSA-N 387.461 3.078 0 1 GGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2cccc(F)c2)(c2ncco2)N1 963226468 DVCCUIYNBYJVRM-UGKGYDQZSA-N 389.386 3.253 0 1 GGAF COc1cccc2cc3c(nc12)[C@@]1(NCC3)C(=O)[C@@]2(C(=O)O)CC[C@@]1(C)C2(C)C 963056774 MPBVTCZAUPTNNX-YTFSRNRJSA-N 394.471 3.064 0 1 GGAF COC(=O)c1ccc(CNCC[C@@H]2CCC(=O)N2Cc2cccc(OC)c2)cc1 12245674 QMPOVFFQQKJLBR-FQEVSTJZSA-N 396.487 3.153 0 1 GGAF COc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1 12356297 MPUAIZDJLBYYSS-UHFFFAOYSA-N 397.519 3.036 0 1 GGAF O=C(Nc1ncnc2c1cnn2CCN1CCCCC1)C12C[C@@H]3CC1C[C@H](C3)C2 143200046 QDDQNPHRHBGEIF-HRIHSXELSA-N 394.523 3.077 0 1 GGAF Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccccc3)c(C)o2)cc1 5058353 MWYRWYBCSMDOQF-UHFFFAOYSA-N 398.484 3.190 0 1 GGAF CCCC[C@@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)CO 5822259 KZRFFIVMBRBAAB-MNBNAFOCSA-N 382.541 3.342 0 1 GGAF CC(=O)c1cc(C(=O)N2CCc3ccc(NC(=O)[C@H]4CCCO4)cc3C2)cs1 12112292 AETOIUFLOYPZMI-GOSISDBHSA-N 398.484 3.267 0 1 GGAF COc1ccc([C@@H](NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)c2ccccc2)cc1 13151426 VXINVOKFVSDVTO-TYIUSFPZSA-N 377.440 3.424 0 1 GGAF Ic1ccccc1O[C@H](c1ccccc1)[C@@H]1CNCCO1 28881901 BHMLFPOTZYRDKA-DLBZAZTESA-N 395.240 3.400 0 1 GGAF in-vivo O=c1c2ccccc2nnn1CCCN1CCN(c2cccc3ccccc23)CC1 71296175 VTPLXEUSMDJJMM-UHFFFAOYSA-N 399.498 3.157 0 1 GGAF Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccsc4)cc3)c12 84707951 JBYKCUNHSBWUPW-UHFFFAOYSA-N 393.432 3.269 0 1 GGAF O=C(NCCN1CCOCC1)c1ccc(-c2c(CO)ccc3ccccc23)cc1 84724429 QFHPEAOPPKNNMS-UHFFFAOYSA-N 390.483 3.061 0 1 GGAF in-vitro CCCNC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(C)=O 95604834 ICLDRKSGEYCSHN-BHIFYINESA-N 399.535 3.028 0 1 GGAF O=C1NC[C@H](CC2CCCCC2)C(O)=C1C(=O)Nc1ccc(-n2ccnc2)cc1 100076025 AJDIONUYJCATIG-INIZCTEOSA-N 394.475 3.339 0 1 GGAF O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)[C@@H]1C[C@H]1c1cccnc1 103241131 DKVMCAUOPOZWRV-LEWJYISDSA-N 392.480 3.334 0 1 GGAF O=c1cccc2n1C[C@H]1C[C@H]2CN(c2nc3ccccc3nc2C(F)(F)F)C1 104097412 BCLUGQAJGZDBSP-STQMWFEESA-N 386.377 3.434 0 1 GGAF NC(=O)c1cccc(-c2cc(CCc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1 141454733 ZIAMGCPVCKTLRH-UHFFFAOYSA-N 391.446 3.339 0 1 GGAF COC1CCC2(CC1)Cc1ccc(Cl)cc1[C@]21N=C(N)N(C(C)C)C1=O 141702620 WDPCNQFTFOPBBS-RGKRWLCDSA-N 375.900 3.232 0 1 GGAF NC(=O)c1ccc(N[C@H]2CNC[C@H]2c2cc(F)cc(Cl)c2)c2cccnc12 143646408 XBZDVWWKOJXBIB-WMZOPIPTSA-N 384.842 3.294 0 1 GGAF O=C(NCCCCCCNC(=O)N1Cc2cccc(F)c2C1)c1cccnc1 166648213 MONHUZHDZPELTQ-UHFFFAOYSA-N 384.455 3.236 0 1 GGAF Cc1noc(NC(=O)c2ccc(N[C@H]3CCN(Cc4ccccc4)C3)nn2)c1C 207331074 WNOULPLZUUAXHQ-KRWDZBQOSA-N 392.463 3.020 0 1 GGAF C[C@H]1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCO1 221607114 HKOHBSFGQVYMGV-AWEZNQCLSA-N 379.435 3.361 0 1 GGAF Cc1cc(N2CCC[C@@H](C(=O)Nc3ccc4ccccc4c3)C2)n2ncnc2n1 584905396 KSNJADIQOHDVML-GOSISDBHSA-N 386.459 3.441 0 1 GGAF in-vitro Cc1cc2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2cc1C 586947406 XQINWEKQVXAOAP-INIZCTEOSA-N 385.489 3.304 0 1 GGAF CC(=O)[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)[C@@H]1CCC(=O)N1 586989675 OKSSWOYYPDFGKK-MGPUTAFESA-N 386.407 3.103 0 1 GGAF CC(C)COc1cc2nc([C@@H]3CSCC(=O)N3)[nH]c2cc1Br 587044188 RKAPJTVCFVKULF-LBPRGKRZSA-N 384.299 3.264 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(F)cc(F)c3O)[nH]c2c1 587134683 VCKDOEYMTNSKEG-UHFFFAOYSA-N 381.404 3.244 0 1 GGAF O=C1CC=C(c2nc3cc4c(cc3[nH]2)OCCCO4)NN1Cc1ccc(F)cc1 587162925 CZMWSGXLGGXNEI-UHFFFAOYSA-N 394.406 3.141 0 1 GGAF CN[C@@H](c1cccnc1)c1nc2c(Br)cnc(Br)c2[nH]1 587222232 ITRCTJWMIXGFMK-VIFPVBQESA-N 397.074 3.187 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(N4CCN(C)CC4)c1)[C@@H](C2)C3=O 587424874 WTFYWIBQAXSYKO-AOMKIAJQSA-N 382.435 3.075 0 1 GGAF CC1=C[C@]2(CC(=O)N1C1CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581902 JPRNIZMZAQHRFF-DENIHFKCSA-N 377.396 3.391 0 1 GGAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@]2(CCOc3c(F)cccc32)N1 962640101 OCOVRCVWBHNGHV-YJBOKZPZSA-N 397.324 3.349 0 1 GGAF Cc1nn(C(=O)OC(C)(C)C)c(C)c1[C@@H]1c2ccsc2CCN1C(N)=O 962701821 CKBQAYSUBZIQIJ-HNNXBMFYSA-N 376.482 3.371 0 1 GGAF Cc1cccc(-c2nnc3ccc(N4CCN(Cc5ccccc5)CC4)nn23)c1 1857552336 HCDGNUWWMJFYLT-UHFFFAOYSA-N 384.487 3.422 0 1 GGAF COC[C@@H]1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@](C)(COC(C)=O)[C@@H]1C[C@@H]3O 2356520964 GDGOVQAHSVMHTH-NONHDEJLSA-N 392.536 3.375 0 1 GGAF CC1=C[C@H](CNS(=O)(=O)c2cccc(F)c2)[C@@H](C(C)C)C[C@H]1CC(=O)O 2356588964 NPMVUALGCXVVIK-HDMKZQKVSA-N 383.485 3.433 0 1 GGAF 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O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc(-n3ccnc3)cs2)N1 963218113 CARMECMDZYHWTJ-HKUYNNGSSA-N 376.441 3.170 0 1 GGAF O=C(c1n[nH]c2c1CCNC2)N1CCC(c2cccc(F)c2C(F)(F)F)CC1 1772651543 ZYVALIUKYONGRR-UHFFFAOYSA-N 396.388 3.233 0 1 GGAF O=C(O)CCC/C=C\C[C@@H]1[C@@H]2O[C@@H]([C@@H]1/C=C/[C@H](O)C1CCCCC1)[C@H]1O[C@@H]21 169360644 BLPTUHHFIMEDBU-LVFLWPIXSA-N 376.493 3.466 0 1 GGAF CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4048992 KLMFFBDOURYFNH-XUEUYAKLSA-N 395.503 3.243 0 1 GGAF Cc1ccccc1[C@@H]1C[C@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1 2356286723 NKQFIGVCOCKIAF-XSLAGTTESA-N 379.378 3.022 0 1 GGAF CN/C=C/NC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)Cc1c[nH]nc1-2 101395024 HUHRYGTYUHLTKN-VOTSOKGWSA-N 386.415 3.286 0 1 GGAF NC(=O)c1ccc(-c2c[nH]c3nc(N)nc(NCc4c(F)cccc4F)c23)cc1 63539800 NOEFXFTWDBEZAN-UHFFFAOYSA-N 394.385 3.196 0 1 GGAF N[C@@H](CC(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1)Cc1cc(F)ccc1F 28956716 ASHAXWQREVVSNC-QGZVFWFLSA-N 396.441 3.200 0 1 GGAF O=C(C[C@@H]1CC(=O)N2CCCCC[C@H]2[C@@]1(O)c1ccccc1)N1CCCCCC1 2356768399 NQXMOUJMVXDKFM-ZFGGDYGUSA-N 398.547 3.458 0 1 GGAF C[C@H](O)[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)C(=O)c1ccco1 72140852 YBJDICSGMJDERH-HSCHXYMDSA-N 393.487 3.202 0 3 GGAF Cc1ccc(CNC(=O)CCn2cc(-c3ccc(C)cc3)nc2CCN)cc1 36383440 NXYSEQVXVNYSLT-UHFFFAOYSA-N 376.504 3.375 0 3 GGAF O=S(=O)(NCCCCN1CCc2ccccc2C1)c1cccc2cccnc12 73162233 ZYPBXZBFNWMVPU-UHFFFAOYSA-N 395.528 3.352 0 1 GGAF Cc1ccc(-c2nc(C(=O)N[C@@H](CSCc3ccccc3)C(N)=O)co2)cc1 82071528 SEVQAXIAPGVGLL-SFHVURJKSA-N 395.484 3.167 0 1 GGAF O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2cccc(F)c2)cs1 82193431 JQENZKMECBISCC-WBVHZDCISA-N 375.469 3.213 0 1 GGAF O=C(NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1CC1CCCC1)c1ccccc1 95895324 WZLVMEJMLWQZSP-VJBWXMMDSA-N 378.516 3.436 0 1 GGAF CC(C)n1cc(-c2cc(-c3cccc(CN4CCOCC4)c3)cnc2N)nn1 143843451 QFCRWQPZCIFRGJ-UHFFFAOYSA-N 378.480 3.002 0 1 GGAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5n[nH]c(S(C)(=O)=O)c5C[C@@]43C)[C@H]1CC[C@@H]2O 253809445 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COc1ccc(C=CC[C@@H](CO)[C@@H](O)c2ccc(OC)c(OC)c2)cc1OC 2356544109 CTZAPYMTKXSGQH-JTSKRJEESA-N 388.460 3.466 0 1 GGAF Cc1nn(-c2ccccc2)c2cc(N3CCC(N4CCNCC4)CC3)ccc12 72177197 LFFBXLJPLWVFOQ-UHFFFAOYSA-N 375.520 3.208 0 1 GGAF NC(=O)c1ccc(N[C@H]2CNCC[C@@H]2c2ccc(F)c(Cl)c2)c2cncnc12 143715729 DMKGGPGYGHAZLX-XIKOKIGWSA-N 399.857 3.079 0 1 GGAF CC(=O)[C@]1(O)[C@H](C)C[C@@H]2[C@H]3C[C@H](F)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 263591290 UOHQEFKIKABMNS-CRHALGDESA-N 382.516 3.019 0 3 GGAF Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 653714186 MSLWKGBWCGLLRY-UHFFFAOYSA-N 380.791 3.126 0 1 GGAF CNC(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 653679771 JWXPJASZCHGYMR-UHFFFAOYSA-N 376.412 3.304 0 1 GGAF Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 653714193 PYUZAEWTMMSBQU-UHFFFAOYSA-N 380.791 3.424 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn3cccnc3n2)N1 587775546 RQNMAOMRUILLSA-BMLIUANNSA-N 375.245 3.429 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2=CC=CN3C=CN[C@H]23)N1 587790908 KDGUQADWEKDILR-CNOZUTPLSA-N 376.273 3.494 0 1 GGAF COc1ccc([C@@]2(CCn3cncn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587389687 CFQNFDAJDVAESR-OAQYLSRUSA-N 378.432 3.128 0 1 GGAF COCC[C@@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349989 QYZKNHBLSLKIGD-FPOVZHCZSA-N 388.391 3.229 0 1 GGAF CC(C)(C)OC(=O)N1CCC[C@H]1C[C@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962915873 VRACXGGICHPLGZ-WJPUGNRLSA-N 392.471 3.429 0 1 GGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21C(=O)Nc2c1ccc(Cl)c2F 963634093 JCKUJHPFMQUOBI-AYLIAGHASA-N 376.815 3.226 0 1 GGAF COC(=O)c1cc(Br)c([C@@H]2NCCc3ccc(F)c(C)c32)n1C 962094468 STRMKKUJBGLCOI-OAHLLOKOSA-N 381.245 3.257 0 1 GGAF COc1ccc(C2=Nc3c(nc(OC)[nH]c3=O)N[C@H](c3ccccc3)C2)cc1 5503203 DVNAEUBGCBDOSE-KRWDZBQOSA-N 376.416 3.465 0 1 GGAF O=C1NC(=O)C(c2ccccc2Cl)=C1Nc1ccc(Cl)c(C(=O)O)c1 14946023 NXCIXCPIWIDEJO-UHFFFAOYSA-N 377.183 3.171 0 1 GGAF COC(=O)/C(=C/c1cc(Br)c(OC)c(Br)c1)OC 166454010 QKUUUDSBCUSSAW-POHAHGRESA-N 380.032 3.381 0 1 GGAF CN1C(=O)[C@]2(N=C1N)c1cc(Cl)ccc1CC21CCc2ccccc2CC1 201259634 ZXQLQOIFMKHKSG-JOCHJYFZSA-N 379.891 3.444 0 1 GGAF Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3C)C[C@H]12 205223825 UHRDYMXNXQJWQF-DOTOQJQBSA-N 390.892 3.380 0 3 GGAF CC(=O)c1ccc(OCCCCCN2CCN(c3ccccn3)CC2)cc1O 1857628036 IMGMAVHYEBYBML-UHFFFAOYSA-N 383.492 3.361 0 1 GGAF COCn1c(=NC2CCN(CCc3ccc(OC)cc3)CC2)[nH]c2ccccc21 1857645970 RAZVJNMUJCGWQM-UHFFFAOYSA-N 394.519 3.190 0 1 GGAF O=S(=O)(CCO)c1cccc(-c2ccc3nccc(-c4ccncc4)c3n2)c1 1857752913 GXEUWWCNXLGQIO-UHFFFAOYSA-N 391.452 3.125 0 1 GGAF Cc1nn(C)c2c1N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2C 576793 KHLZXAFUMDJEAU-UHFFFAOYSA-N 399.458 3.258 0 1 GGAF COc1ccc([C@H]2CCN(C(=O)c3co[n+](C)c3C)C2)cc1OC1CCCC1 29314008 QOLQCWZNWFXPIM-KRWDZBQOSA-N 385.484 3.372 0 1 GGAF F[C@H]1CN(Cc2ccnc3ccccc23)C[C@@H]1OCc1nc2cccnc2[nH]1 2356299318 GBIOIKWCKGULTO-LPHOPBHVSA-N 377.423 3.245 0 1 GGAF CCN1CCN(C(=O)C2CCN(c3nc4c(C)cc(C)cc4s3)CC2)CC1 20383678 ZXIDTGICXXVWCL-UHFFFAOYSA-N 386.565 3.294 0 1 GGAF Cc1nc(C)c(-c2ccc(-c3ccc(CC(=O)O)cc3F)cc2)nc1C(N)=O 103298699 ULHNDQDGDLTTIT-UHFFFAOYSA-N 379.391 3.293 0 1 GGAF c1cnc(NC[C@@H]2CCCO2)c(-c2nnc(Nc3ccc4c(c3)OCO4)o2)c1 28570852 QFGIYKJHRAVEQI-ZDUSSCGKSA-N 381.392 3.195 0 1 GGAF Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(OCc4ccccn4)cc[nH]c3=O)nc12 28893845 IXRUDPNBDKEDFQ-UHFFFAOYSA-N 398.426 3.386 0 1 GGAF Nc1ncccc1NC(=O)CCCCSc1nc(-c2ccccc2)cc(=O)[nH]1 29053491 YLWFIYIMUJWORG-UHFFFAOYSA-N 395.488 3.315 0 1 GGAF O=C(O)C[C@H]1CCN(C(=O)Nc2ccccc2)C[C@@H]1Cc1nc2cnccc2[nH]1 2356322310 OZGVTMYRCSWLJX-CABCVRRESA-N 393.447 3.145 0 1 GGAF CCC[C@@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4cccc5c4[C@@]12CCN(C)[C@@H]3C5 64622549 QRHQPCRIZNMZIZ-MASJHSKDSA-N 395.543 3.458 0 1 GGAF in-vitro O=C(CN1Cc2ccccc2O[C@H](c2ccccc2)C1)NCCCn1cccn1 39371803 MCUGYJANCWEKMQ-QFIPXVFZSA-N 390.487 3.025 0 1 GGAF CCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 82209831 CFXMMRCRZDPBNF-MSOLQXFVSA-N 376.497 3.376 0 1 GGAF Cc1cc(F)ccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O 40915285 RWXTYWYNQMAVCA-YPVJZLTNSA-N 384.495 3.365 0 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O=S(=O)(Cc1nc2cccc(O)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950373 FASWNOJSRHFWQC-UHFFFAOYSA-N 386.477 3.201 0 1 GGAF CO[C@H](C)COC1CCC(c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)CC1 587951257 GLAIKIHOZOUZRH-LRYGQEGESA-N 386.540 3.392 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3c(c2)OCCN3C)N1 587773754 KSNMIIPAMUXLNM-QGHHPUGFSA-N 392.272 3.435 0 1 GGAF Cn1cc(C(=O)c2ccc(F)cc2)cc1[C@@H]1c2ccsc2CCN1C(N)=O 962713386 UPCIJBXZZJTATK-SFHVURJKSA-N 383.448 3.483 0 1 GGAF CC(=O)O[C@@H]1C=C2C(=O)OC[C@]23CC[C@@H](C)[C@](C)(CCC2=CCOC2=O)[C@H]3C1 14446262 YRAFYYCSVNYHPY-ISKUZMQCSA-N 388.460 3.107 0 1 GGAF Clc1cccc(N2CCN(CCCCN3C[C@@H]4CCCCN4C3)CC2)c1 19332333 LFWNCOWKJQWIJF-NRFANRHFSA-N 376.976 3.370 0 1 GGAF Nc1ncnc2c1c(-c1ccc3c(c1)OCO3)cn2[C@H]1CCN(CC2CC2)C1 1857547104 PZQUWVHWYIAYEL-HNNXBMFYSA-N 377.448 3.066 0 1 GGAF O=C(N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1)n1cccn1 1857566831 YXVPWDFAIBUUPC-UHFFFAOYSA-N 376.460 3.248 0 1 GGAF CC(=O)N1C[C@H](C)Sc2cc(S(=O)(=O)NCc3ccccc3)ccc21 20509716 IQRULRYIWLUUMG-ZDUSSCGKSA-N 376.503 3.012 0 1 GGAF CC(C)(C)c1cc(NC(P(=O)(O)O)P(=O)(O)O)cc(C(C)(C)C)c1 13532373 VJMYUIJRRBBCSU-UHFFFAOYSA-N 379.330 3.333 0 1 GGAF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2CC3)sc(C)c1C 5408474 YFKSAVBJECMZLF-NEBZKDRISA-N 377.462 3.393 0 1 GGAF CN(C)CCN(C)c1ccc(-c2cc3ncccc3c(NCCCN)n2)cc1 13489170 DNGKMUXMYOLWEI-UHFFFAOYSA-N 378.524 3.055 0 1 GGAF CSc1nc(N2CCN(CCCC(=O)c3ccc(F)cc3)CC2)ncc1F 13730852 TVZQYADMEATGII-UHFFFAOYSA-N 392.475 3.262 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1cccc([C@H](C)N3CCOCC3)c1)C2 28343676 WBDGFMXZQCHZPG-OYHNWAKOSA-N 397.471 3.283 0 1 GGAF O=C1O[C@@H](COc2ccon2)CN1c1ccc(N2Cc3cccnc3C2)c(F)c1 40567102 KRYLYHWZXKNRAL-OAHLLOKOSA-N 396.378 3.133 0 1 GGAF COc1cc2nnc(C(N)=O)c(Nc3cccc(Cl)c3F)c2cc1OC 43197845 FHEAXJUHMRSPKJ-UHFFFAOYSA-N 376.775 3.282 0 1 GGAF Cc1nc2sccn2c1C(=O)NN1C(=O)[C@H](C)SC12CCC(C)CC2 95562259 AVRCEBPKTNTHMR-FBWYHRDQSA-N 378.523 3.219 0 1 GGAF CC(C)C[C@H](CO)Nc1nc(SCc2ccccn2)nc2nc(N)sc12 95605604 TXIZIPIJZWQRPG-GFCCVEGCSA-N 390.538 3.175 0 1 GGAF O=C(O)/C=C/c1ccc(N2CCN(c3ccc(/C=C/C(=O)O)cc3)C2=O)cc1 103246183 IUQASTYWCWYXGZ-YDWXAUTNSA-N 378.384 3.329 0 1 GGAF Cc1nc(OCC(F)(F)F)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 103247187 VOEZOGVCCNLDHU-XDTLTXQJSA-N 390.427 3.062 0 1 GGAF CNc1nc(Nc2cn(C(C)(C)C(=O)NC(C)C)nc2C)ncc1C(F)(F)F 103260594 KYZGPONBRQRHNZ-UHFFFAOYSA-N 399.421 3.045 0 1 GGAF COc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]32)n1 116827782 VBUGEBALXLUROO-WMLDXEAASA-N 392.484 3.175 0 1 GGAF Cc1cn(-c2cc(F)c(C(N)=O)c(N[C@@H]3CCOC3)c2)c2c1C(=O)CC(C)(C)C2 138494738 GAGDTKJJVCLACJ-CYBMUJFWSA-N 399.466 3.380 0 1 GGAF CC1(C)C[C@H]1N(C[C@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 223909540 ZMAZCCGSJZVPEH-FOIQADDNSA-N 386.517 3.216 0 1 GGAF COc1cc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2cc1F 586942067 ZRIPLICVMFXXDA-FPLPWBNLSA-N 375.425 3.109 0 1 GGAF CN(C)C(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587120015 NOMAHOCTAGFLID-UHFFFAOYSA-N 391.397 3.407 0 1 GGAF Nc1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1CC(=O)O 587250702 XIGCBCNSXFUKCZ-UHFFFAOYSA-N 386.280 3.488 0 1 GGAF CC(=O)Nc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575035 ACWVKNWFKIWFFE-WIYYLYMNSA-N 376.368 3.449 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3n2C=CCC3=O)N1 587771255 BTQHZXBHLCVOOM-JDNHERCYSA-N 376.229 3.465 0 1 GGAF Nc1nn2c(=O)cc(-c3ccc4n[nH]cc4c3)[nH]c2c1-c1ccc(Cl)cc1 653669354 HUCWSJFHZNFKAG-UHFFFAOYSA-N 376.807 3.469 0 1 GGAF COc1ccc2c(c1OC)[C@@]1(CCc3c(OCCN)cccc31)N(C)[C@@H](C)C2 962640763 RUHYSWZCPICEJC-WNSKOXEYSA-N 382.504 3.108 0 1 GGAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(CCCc3scnc32)N1 962709741 RHQCTWNXEHIGEI-WBMJQRKESA-N 386.370 3.480 0 1 GGAF CC(C)N1C(=O)[C@@]2(N[C@@H]1N)c1ccccc1CC21CCc2ccccc2CC1 1772641197 BTDYPINICWJPMW-UPVQGACJSA-N 375.516 3.086 0 1 GGAF CC(C)(C)c1cnc(CSc2cnc(NC(=O)N3CCNCC3)s2)o1 1772647136 YTFMKHAFPHBMNE-UHFFFAOYSA-N 381.527 3.158 0 1 GGAF CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4C=CN(C2=O)[C@@H]13 2356515180 DJLOEMJGBZHPMQ-WHSPZXDMSA-N 380.444 3.219 0 1 GGAF COc1ccc(C[C@H]2C(=O)OC[C@H]2Cc2ccc3c(c2)OCCO3)cc1OC 2356606495 RQLDIROHMXEAOI-IAGOWNOFSA-N 384.428 3.049 0 1 GGAF O=C(NCc1ccccc1)NC[C@@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1 2356739252 MQTJZCLZUSEVRF-GOSISDBHSA-N 380.423 3.087 0 1 GGAF CCc1nn(CCCC(=O)N[C@@H]2CCCC[C@@H]2C)c(=O)c2cc3occc3n12 6807439 VHAUTMGKMHFRAW-LSDHHAIUSA-N 384.480 3.280 0 3 GGAF O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)N1CCC[C@H](O)C1 12024850 BNBPOSQGIDNUNS-INIZCTEOSA-N 389.883 3.109 0 3 GGAF CC(C)CNS(=O)(=O)/C=C/c1ccc(F)cc1CNC(=O)OC(C)(C)C 96020292 PCNBRZRQABYNRQ-CMDGGOBGSA-N 386.489 3.397 0 3 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCN(CC)CC 4152501 SQUASKQHWHZGIM-FPOVZHCZSA-N 399.491 3.228 0 1 GGAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1nc(SC)n(C)n1 26666810 PAQRQMYWGHHNKO-UHFFFAOYSA-N 383.499 3.327 0 1 GGAF O=C1c2cc3c(cc2OCN1CCc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1O3 72173556 GJTMFMLRTPRAHO-LJQANCHMSA-N 398.846 3.329 0 1 GGAF O=S(=O)(NCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)C1CC1 66113007 ZNIGCHIXGDYVHL-UHFFFAOYSA-N 399.438 3.352 0 1 GGAF COc1nc(C(=O)N[C@H]2COc3ccc(Cl)c(C)c32)ccc1-n1cnc(C)c1 68268118 DKUGACZBVPGPQR-HNNXBMFYSA-N 398.850 3.410 0 1 GGAF COc1cc(Cc2nnc3n2N=C(c2ccccc2)CS3)cc(OC)c1OC 45256638 BZJQWVVFORNLAN-UHFFFAOYSA-N 396.472 3.253 0 1 GGAF O=C(CO)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1 40420474 IJHSPFFWIXGDBB-UHFFFAOYSA-N 397.500 3.162 0 1 GGAF Cc1ccc(N2c3ccc(Cl)cc3S(=O)(=O)c3c(N)nc(N)nc32)cc1 40423678 DXYFPPMDWUNMAK-UHFFFAOYSA-N 387.852 3.219 0 1 GGAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F 82150849 IJGIBRNLAMGMBG-HNAYVOBHSA-N 398.482 3.428 0 1 GGAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCCc1ccc(F)cc1 82212923 ORVVNBKGKGAKMI-UHFFFAOYSA-N 392.482 3.300 0 1 GGAF Cc1nonc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C(F)(F)F)cc1 45258918 AARVWQDWIQFKJC-CQSZACIVSA-N 391.353 3.390 0 1 GGAF COCCn1c(-c2cccnc2)nc2c(NCc3cccc(F)c3)ncnc21 82181556 ZXKBRSPMXWAPIC-UHFFFAOYSA-N 378.411 3.286 0 1 GGAF CCC(=O)NC[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1C(=O)CC 95895363 YMMVOAVOSHGORU-TXTKFYIRSA-N 398.478 3.084 0 1 GGAF Cc1c(O)cccc1-c1nc(N2CCOCC2)nc2c1CCN2c1ccncc1 95595140 FATKEQOWYVBYKA-UHFFFAOYSA-N 389.459 3.083 0 1 GGAF Cc1cc(C)nc(NCc2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)c1 473244685 PNCCIWZOORPQEX-LBPRGKRZSA-N 397.406 3.416 0 1 GGAF CC(C)C[C@@H]1C(=O)N([C@H](Cc2ccccc2)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 473199269 YVDGEXSSVKMMEG-XUVXKRRUSA-N 395.455 3.203 0 1 GGAF Cc1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2cc1F 586947076 RUQCTXJNTDVERQ-AWEZNQCLSA-N 389.452 3.135 0 1 GGAF CCOC(=O)C(=O)C[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597253 QJKDGDHIZKRWDK-UTKZUKDTSA-N 384.384 3.025 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(O)ccc(N)c21 587388758 GLYGWBJRVKNIHV-QHCPKHFHSA-N 386.407 3.318 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1nc(Br)cnc1N)CC2=O 587461083 WGJGPQUFGIRWJY-GFCCVEGCSA-N 378.226 3.186 0 1 GGAF COc1cc(Cl)cc(C=O)c1OCc1nc2nc(Br)c[nH]c-2n1 587065526 SSVBWCVDUMPHGB-UHFFFAOYSA-N 397.616 3.121 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)nnn3C)N1 587759341 KHJVPXZKWYTWEM-XYZCENFISA-N 375.245 3.494 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccnc(Br)c1OC)[C@@H](C2)C3=O 587416905 GBNSAOXVLAIEMN-NHYWBVRUSA-N 376.206 3.350 0 1 GGAF COC(=O)c1cc(Br)c2nc(-c3cccnc3N(C)C)[nH]c2c1 587195515 IPXGOGRWTYPEAW-UHFFFAOYSA-N 375.226 3.240 0 1 GGAF CCOC(=O)[C@H]1CCCCCC[C@]12N[C@H](C(=O)O)Cc1ccc(O)c(C)c12 963511068 SPCKOXSGRBSFRI-XFQAVAEZSA-N 375.465 3.028 0 1 GGAF C[C@@H](Oc1cccc2cccnc12)C(=O)Nc1ccccc1N1CCOCC1 1772623487 BQJSTKHPGMXBTN-MRXNPFEDSA-N 377.444 3.477 0 1 GGAF CC(C)(C)CC(=O)Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)O 13476886 UXVCFMQMDYXTHZ-GOSISDBHSA-N 382.460 3.487 0 1 GGAF C[C@]1(O)OC(=O)C(c2ccc(F)c(Cl)c2)=C1c1ccc(S(C)(=O)=O)cc1 13488612 OQDKPQRAGXTOIK-SFHVURJKSA-N 396.823 3.059 0 1 GGAF COc1ccc([C@@H](CCN2CCOCC2)c2c(O)cc(OC)cc2OC)cc1 13661582 NHACQECAFIZZLB-LJQANCHMSA-N 387.476 3.272 0 3 GGAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 14952582 GTMOGHHWTKSVCD-VZHLBOQGSA-N 377.506 3.257 0 1 GGAF CCO[C@@]12CCC(=O)C[C@@]13CCN(CC1CC1)[C@H]2Cc1ccc(O)c(OC)c13 164398908 AEDDGWOMKKVLRS-WWPVKYPJSA-N 385.504 3.207 0 1 GGAF Cc1cc(C)c(S(=O)(=O)NC(=O)COc2ccc3c(c2)CCCC3)c(C)c1 1857567859 SBOJSEXKHIYGBX-UHFFFAOYSA-N 387.501 3.375 0 1 GGAF CCCCN(C)C(=O)CN1C(=O)CCn2nc(-c3cn(C)c4ccccc34)cc21 8609643 GHACWIDXCBOEOC-UHFFFAOYSA-N 393.491 3.037 0 1 GGAF O=C(NCCN1CCCCC1)c1ccc([C@@H]2CCCN2Cc2ncc[nH]2)s1 20272706 XEZRTTUBIOVZIH-INIZCTEOSA-N 387.553 3.024 0 1 GGAF Cc1cccc(C(=O)NCC(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 28392304 VYDREHBKCZMYBF-FQEVSTJZSA-N 399.922 3.159 0 1 GGAF Cc1ccc(CCOCCOc2ccc(OC[C@@H](O)CNC(C)C)cc2)cc1 29339610 ROBYZLOEHQPUGX-NRFANRHFSA-N 387.520 3.371 0 1 GGAF CCCCOC(=O)c1c(N)cccc1C=C[C@H](O)[C@H](C)OC(=O)c1ccco1 2356608425 OQSXRPBCVKZSHQ-YOEHRIQHSA-N 387.432 3.438 0 1 GGAF CO[C@@H]1OC(=O)[C@H](CC[C@@]2(C)[C@@H]3CCC=C(C(=O)O)[C@@]3(C)CC[C@H]2C)[C@H]1O 2356812117 BSAZZVXOPHTIGQ-MAUJBYDISA-N 380.481 3.137 0 1 GGAF O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2C[C@@H]1c1nccs1 49125981 ICLCLISNCTWXGA-CQSZACIVSA-N 380.882 3.008 0 1 GGAF COc1ccc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2OC)c(OC)c1 14436537 FBJCVZIHMLYYSL-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic Cc1nc(NC(C)(C)C)nc(Sc2nnc3c4ccccc4n(C)c3n2)n1 49820633 QAANJYAJUJLWLV-UHFFFAOYSA-N 380.481 3.372 0 1 GGAF CCCC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCC3=C[C@H](C)OC3=O)O2)O1 85509429 GTIXULIWYDDMNA-PNVDJSRASA-N 396.524 3.036 0 1 GGAF biogenic,in-vitro CCCCC[C@@H](O)/C(F)=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 84706718 FPWBUVYXSURCBY-FEUGECTKSA-N 386.504 3.429 0 1 GGAF COc1cccc(N2c3ccc(Cl)cc3S(=O)(=O)c3c(N)n[nH]c32)c1 40974239 YDLSYJWBFUYFOK-UHFFFAOYSA-N 376.825 3.270 0 1 GGAF Cc1c(Cl)cc(C(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12 142790617 LAXCTJQTXXLKFB-UHFFFAOYSA-N 395.845 3.143 0 1 GGAF COc1cc2nc(N3CCCC3)nc(NCCCC3CCNCC3)c2cc1OC 95493492 CSGANBRPPUGBQE-UHFFFAOYSA-N 399.539 3.439 0 1 GGAF O=[S@@](Cc1cn(-c2ccccc2)nn1)c1nnc(-c2ccc(Cl)cc2)o1 95665509 RYXSXZQNUAENJJ-AREMUKBSSA-N 385.836 3.279 0 1 GGAF CCOC(=O)N1CCC(CN2CCC[C@H](N3C(=O)Cc4ccccc43)CC2)CC1 95586962 SKBHHBPGCAHMHQ-FQEVSTJZSA-N 399.535 3.299 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3n2C=CCC3=O)N1 587775586 SCBUHILPDVIDTJ-FVMDXXJSSA-N 376.229 3.465 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cnn(C)c2)N1 587761679 CEEAPVINOMAUDK-KBKKWDIXSA-N 393.304 3.175 0 1 GGAF Brc1cnc2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 587005938 AOEAOJBVFBJRCI-UHFFFAOYSA-N 394.030 3.193 0 1 GGAF COC(=O)c1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587852991 KAYHPIFSLDVSDU-WPPNPWJKSA-N 385.258 3.455 0 1 GGAF COc1cc(Br)c([C@@H](N)c2nc3c(C)ccnc3[nH]2)cc1OC 586977200 YZNJKRUYAZUUCN-CYBMUJFWSA-N 377.242 3.094 0 1 GGAF COc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c(OC)c1 587277033 WQFYMVCGWDCSLV-UHFFFAOYSA-N 392.205 3.331 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)(C(F)(F)C(=O)O)N1 587708690 ZDUIRZQRYJCTMS-JKYUHCHBSA-N 378.188 3.448 0 1 GGAF CCCS(=O)(=O)N1CCC(c2nc3ccc(Br)cc3[nH]2)CC1 586952719 MNWHHCFKCROHPA-UHFFFAOYSA-N 386.315 3.245 0 1 GGAF CN1CCC[C@@H]1[C@@H]1CCCC[C@@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963226314 LJSWEPOHGSORIH-MDFGKDKASA-N 379.504 3.313 0 1 GGAF O=C(O)CC[C@]1(CCC(=O)c2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962900255 PHFWWGVQOCYRGY-JTSKRJEESA-N 399.418 3.148 0 1 GGAF CCCCCCCCNC(=O)[C@@H](NC(=O)c1nccc2ccccc12)[C@@H](C)O 143542017 XXEJSXNNFVQFAD-APWZRJJASA-N 385.508 3.191 0 1 GGAF Cc1cccc(N2CCOCC2)c1NC(=O)COc1cccc2cccnc12 1772607863 OAOGZLMFCFRDRM-UHFFFAOYSA-N 377.444 3.397 0 1 GGAF CN(CCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 12725753 FDKNNHRARHLZQZ-IBGZPJMESA-N 376.497 3.153 0 3 GGAF COC(=O)/C=C/c1cccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c1 13677196 HPZBCCYHCZUHEU-CMDGGOBGSA-N 391.423 3.483 0 1 GGAF CC1=C[C@@H](C[C@]2(C)O[C@@H]2COc2c3ccoc3cc3oc(=O)ccc23)OC1=O 14422420 RJCCYQUNRFJCPC-VVUGWJFESA-N 382.368 3.337 0 1 GGAF O=C(O)c1ccc(NC(=O)N2CCN(Cc3cnc4ccccc4c3)CC2)cc1 200261539 GTCDESNCPRYSFC-UHFFFAOYSA-N 390.443 3.283 0 1 GGAF Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)cc2F)CC1 207315191 RPFTZZDJXKANQI-UHFFFAOYSA-N 399.919 3.473 0 1 GGAF CC(C)(C(=O)NCCOc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 1857608838 QULUYKJCJBEJLS-UHFFFAOYSA-N 381.881 3.088 0 1 GGAF CCCSCCCNC(=O)[C@H](C)n1nc(CC)n2c(cc3occc32)c1=O 5149720 JAALIKOQFSLVRM-ZDUSSCGKSA-N 390.509 3.015 0 1 GGAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NC[C@H]2CCCO2)c1C 6948662 NHIKKAFIDXCCBE-QGZVFWFLSA-N 388.439 3.075 0 1 GGAF CN1CC[C@@H](n2cc(S(=O)(=O)c3cccc(Cl)c3)c3cccnc32)C1 28862225 SQIGGQMSAKYOHI-CQSZACIVSA-N 375.881 3.399 0 1 GGAF COc1ccc([C@@H]2CNC(=O)C2)cc1OCCCC(=O)N(C)C1CCCCC1 29240383 WMAWFWUZDHVSGI-KRWDZBQOSA-N 388.508 3.249 0 1 GGAF COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3c(OC)cc(OC)cc32)c1 40402548 JVQUQJFBSKOJCR-GOSISDBHSA-N 383.400 3.089 0 1 GGAF O=C(Cc1ccc(F)c(F)c1)Nc1cccc(OCCCN2CCOCC2)c1 43061061 MZFDSZMNKUJMAC-UHFFFAOYSA-N 390.430 3.247 0 1 GGAF O=C(CCc1cnn2c1ccc1cc(O)ccc12)NC1=C(C(=O)O)CCCC1 45483917 IVXFIEKMACDGAS-UHFFFAOYSA-N 379.416 3.155 0 1 GGAF C[C@@H](N[C@H]1CNS(=O)(=O)Oc2ccccc2C1)c1cccc2ccccc12 72105901 RZOIVOCJBKPHQW-CRAIPNDOSA-N 382.485 3.329 0 1 GGAF COc1c(N2CCNCC2)c(F)cc2c(=O)cc(SC(C)C)n(C3CC3)c12 72177014 DGCZCZGOGMYEAF-UHFFFAOYSA-N 391.512 3.394 0 1 GGAF COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCC(F)(F)F)n2)cc1 82195444 ZGHLZRNNQGXSLM-AWEZNQCLSA-N 385.411 3.466 0 1 GGAF O=C(c1cnccn1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 95878160 ZAROACMCMGCNBC-ZPMCFJSWSA-N 386.455 3.133 0 1 GGAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CN(C)C(C)=O 95895620 URWWHKBLCURBOC-QZNHQXDQSA-N 398.478 3.036 0 1 GGAF FC1(F)CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)C1 96168860 RDLQQJBKBQMOTF-UHFFFAOYSA-N 383.402 3.138 0 1 GGAF O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C/COc2cccc(Cl)c21 103258308 NSAHPDSQIRNDGO-PYKQWIPUSA-N 387.819 3.093 0 1 GGAF N#Cc1cc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)ccc1F 168069727 HFSOAQWKXNXOIN-UHFFFAOYSA-N 394.381 3.268 0 1 GGAF CCN(CC)C(=O)c1cccc(-c2ccc(F)c(CN[C@@H](CO)C(C)C)n2)c1 204417243 TUJBJCOWJBTTFD-NRFANRHFSA-N 387.499 3.476 0 1 GGAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3ncccc3[nH]2)cc1 586944512 UAZGEZRWXWPCMY-UHFFFAOYSA-N 384.486 3.207 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccccc1Br)O2 587375722 FURODHKBRFLJGR-KRWDZBQOSA-N 376.206 3.285 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C(/C=C/C(=O)O)=COc4ccccc41)[C@@H](C2)C3=O 587451544 IBEORQNGBYJCCQ-DEEAVJJBSA-N 376.364 3.255 0 1 GGAF CCOCC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O 587667580 PHWXTWGDOWJUOF-UHFFFAOYSA-N 395.459 3.292 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(C)c(=O)c2ccccc12 587873256 WXIIRTDDCVAAGM-UHFFFAOYSA-N 392.390 3.023 0 1 GGAF O=C1C[C@@]2(N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c2cc(Cl)ccc2O1 963228133 ICCCIJZRBIMLBV-DYESRHJHSA-N 394.814 3.040 0 1 GGAF Oc1ccc2c(c1)[C@]1(CCCC=C1NNc1ccc3c(c1)OCCO3)NCC2 963340043 FJSDLTJTCVCJAR-QFIPXVFZSA-N 379.460 3.189 0 1 GGAF CC[C@@H](C)NC(=O)c1c(NC(=O)c2cccc(OC)c2)nc2ccc(C)cn12 1857589711 GRVKKBJFHKXGSK-CQSZACIVSA-N 380.448 3.432 0 1 GGAF CC(C)c1cc2cccc(C(=O)NCC3CCN(CC4CCOCC4)CC3)n2n1 1857760636 SIACOCBYRXRQGF-UHFFFAOYSA-N 398.551 3.326 0 1 GGAF O=C(C=Cc1ccccc1)O[C@@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@@H]34)[C@H]2C1 2356460301 PUFYZCKVLOYPHL-OQEHDIDLSA-N 394.515 3.107 0 1 GGAF CC(=O)O[C@@H]1C[C@](C)(O)C=CC[C@@H](C)CC(=O)CC2=C[C@@H](OC2=O)[C@@H]1C(C)C 2356509544 TUNXVTXNCGWNAQ-GKUVMSSTSA-N 392.492 3.129 0 1 GGAF CC[C@@H]1C(c2ccc(F)cc2)=NN(c2ccccc2)[C@H]1C(=O)N1CCOC1=O 13813794 VXMBPKHJLPOJCJ-IEBWSBKVSA-N 381.407 3.424 0 3 GGAF COc1cccc(NC(=O)C[C@]2(C)N=C(c3cc(F)ccc3F)N(C)O2)c1 205221842 QGMSFGHWHCTTMB-LJQANCHMSA-N 375.375 3.342 0 3 GGAF CC(C)(C(=O)Nc1ccccc1)n1cc(NC(=O)c2ccc3c(c2)OCO3)cn1 205228518 IXWJUDLEEPMEOL-UHFFFAOYSA-N 392.415 3.238 0 3 GGAF O=C(O)CC[C@@H]1CCCc2[nH]c(/C=C3\C(=O)Nc4ccc(C(=O)O)cc43)cc21 101088985 BDICMWVTYHPCQG-OKHBPPCESA-N 380.400 3.490 0 1 GGAF O=S1(=O)CCCN1Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 66113009 AMFXGPAZFUDXQW-UHFFFAOYSA-N 399.438 3.305 0 1 GGAF O=C(NN1CCOCC1)C1=NN(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1 28866878 ZBWVCIQQEVESKC-LJQANCHMSA-N 384.867 3.011 0 1 GGAF c1cnc(NC[C@@H]2CCCO2)c(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c1 28570850 WNVFEKUGIWQBCB-AWEZNQCLSA-N 395.419 3.237 0 1 GGAF CCN1CC(C)(C)OC(=O)[C@H]1CC(=O)NCc1cccc(-c2ccccc2)c1 117781594 JFDRNBKIUXDUGP-HXUWFJFHSA-N 380.488 3.386 0 1 GGAF Nc1ncnc2c(CN3C[C@H](CCCSCc4ccccc4)[C@@H](O)C3)c[nH]c12 64744284 IRUCLXSFZFQSFL-WMZOPIPTSA-N 397.548 3.046 0 1 GGAF COc1cc(CC[C@H](C[C@@H](CCC[C@@H](C)O)OC(C)=O)OC(C)=O)ccc1O 2356511285 FFDQTZNFWHSXQO-NIKGAXFTSA-N 396.480 3.138 0 1 GGAF O=C(O)c1ccc(CN2C[C@H](F)[C@@H](OCc3nc4ccc(F)cc4[nH]3)C2)cc1 2356600583 QEXLZDITYIUFNM-YJBOKZPZSA-N 387.386 3.139 0 1 GGAF COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCC1CC1 36384286 KPWBJHCEFWSDGG-PKOBYXMFSA-N 382.460 3.172 0 3 GGAF O=C(CCc1noc2c1CCc1cc(O)ccc1-2)Nc1ccccc1C(=O)O 40413099 NOLQWSSNTZARDG-UHFFFAOYSA-N 378.384 3.415 0 1 GGAF Cc1cccc(C)c1-c1ccc2nc(NCCCN3CCN(C)CC3)nnc2c1 145605438 PIXBQJIUEPOAPJ-UHFFFAOYSA-N 390.535 3.358 0 1 GGAF COc1cc2nc(N3CCC(CCO)CC3)nc(NCC(C)C)c2cc1OC 82128651 HCNMJFUZANYRLI-UHFFFAOYSA-N 388.512 3.314 0 1 GGAF Cc1noc2c1-c1sc(C)c(C)c1C(c1ccc(N)nc1)=N[C@H]2CC(N)=O 96284474 SOOYKPKJBIMQGU-LBPRGKRZSA-N 381.461 3.073 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnc(O)nc3)c2cn1)c1ccccc1 261158107 QIRAXMXQGCMWRI-LLVKDONJSA-N 375.392 3.003 0 1 GGAF CN1CCC[C@@H](CN=c2[nH]c(Nc3cccc(-c4cnco4)c3)ncc2F)C1 473136210 ZIRISSYSCWJEGP-AWEZNQCLSA-N 382.443 3.190 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)N3CCCC3)cc1)O2 587407942 CWDGJLUIASUVPS-IBGZPJMESA-N 386.473 3.068 0 1 GGAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc(N(C)C)n1 587573616 TVVMEEPDEODTAL-PXNSSMCTSA-N 377.400 3.260 0 1 GGAF CCOC(=O)c1[nH]cnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587791324 LNAXJBHIHQONRD-AMIZOPFISA-N 382.233 3.112 0 1 GGAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 587346542 JIGZHWGJTMANNI-DENIHFKCSA-N 391.354 3.443 0 1 GGAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cnc(Cl)[nH]c-2n1 587114362 ZODLFLXNWMPTCG-OAHLLOKOSA-N 383.761 3.376 0 1 GGAF COC(=O)[C@]1(c2c[nH]c3ncccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587528144 XOMRQCSYOXNKCO-JOCHJYFZSA-N 376.412 3.475 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 586904458 UHKXOOJNFFGVMX-VQIMIIECSA-N 385.489 3.162 0 1 GGAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(I)cnc3[nH]1)C2 586883218 ACGBQGQLPYYALZ-GUBZILKMSA-N 379.201 3.201 0 1 GGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2ccncc2)([C@@H]2CCSC2)N1 963225248 CXXOKRJFYRIXQJ-UPKQVVFYSA-N 391.496 3.225 0 1 GGAF NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1[C@H]1CC[C@@H](C2)N1 1772593519 PPORYINNAXQGTO-WDEREUQCSA-N 376.869 3.494 0 1 GGAF COC(=O)c1ccc(C(=O)c2ccc3c(c2O)C(=O)c2c(O)cccc2C3)cc1 13490533 XCJIWWFRCQOJJD-UHFFFAOYSA-N 388.375 3.251 0 1 GGAF O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](C(F)F)C2 169305744 UWTKUNBQKQJYNL-ZSGNIPIJSA-N 387.839 3.395 0 1 GGAF CNc1nc(Nc2ccc(-c3nnn(C)n3)cc2Cl)ncc1C(F)(F)F 169704312 JTGZONZBOKLQNN-UHFFFAOYSA-N 384.753 3.125 0 1 GGAF CCOC(=O)c1sc2nc(CC(=O)OC)nc(N3CCC(C)CC3)c2c1C 752911 RBDKSLBMDPSVRW-UHFFFAOYSA-N 391.493 3.128 0 1 GGAF CCOC(=O)C1=C(C)N2CCO[C@]2(C)[C@H](C(=O)OC)[C@@H]1c1cccc(Cl)c1 5828592 SXTPDZQSMBLNMP-FUHIMQAGSA-N 393.867 3.112 0 1 GGAF CN1C(=O)[C@@H](NC(=O)Nc2ccncc2)N=C(c2ccccc2)c2ccccc21 13733011 DEHMKGDWUFOKQG-HXUWFJFHSA-N 385.427 3.043 0 1 GGAF COc1cccnc1-n1ccnc1[S@](=O)Cc1ccccc1-n1cccc1 13746314 NPDRAPQLYPGAJI-MHZLTWQESA-N 378.457 3.374 0 1 GGAF S=C1c2ccccc2O[C@@H](CCN2CCOCC2)CN1Cc1ccccc1 26278435 JYESQEPWBJYKLK-IBGZPJMESA-N 382.529 3.348 0 1 GGAF CCC(=O)N(Cc1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(O)c1 27760576 QGLJHEPQXORJPJ-UHFFFAOYSA-N 375.421 3.370 0 1 GGAF Cc1nc(-c2c(F)cccc2-c2cnc([C@@H](C)NC(=O)N(C)O)c(F)c2)no1 45339163 XHEYWMUWFZPSKT-SECBINFHSA-N 389.362 3.477 0 1 GGAF CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OC[C@@H]3CCOC3)nc2s1 69063322 VKXYARKCCDVKTJ-GFCCVEGCSA-N 399.476 3.310 0 1 GGAF CC(=O)N[C@@H](CSCC1=CC=C2C=Cc3cccc4c3[C@@H]2C1=CC4)C(=O)O 71332181 YSISPQXLVACETJ-FPOVZHCZSA-N 379.481 3.468 0 1 GGAF Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)CCC1CCCC1)CC3 82196059 XWSRZCBJRXOBPN-UHFFFAOYSA-N 394.475 3.377 0 1 GGAF Cc1cc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2Cl)C3)no1 95565098 LOTRNBAVJZGHGU-UHFFFAOYSA-N 378.219 3.204 0 1 GGAF OC1=C2C(=Nc3nc(O)nc(O)c3[C@H]2c2ccc3c(c2)OCO3)c2ccccc21 104091481 KTDJZJJPZYXTLI-AWEZNQCLSA-N 387.351 3.166 0 1 GGAF CCOC(=O)[C@@H](NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21)[C@@H](C)CC 144964214 PQEMQMZAKUUASG-KNBMTAEXSA-N 396.487 3.300 0 1 GGAF COc1cc([C@@H]2NC(=S)N=C(C)[C@@H]2C(=O)OC(C)C)ccc1OC(C)C 169688814 MGDCUCOGFRYHED-IRXDYDNUSA-N 378.494 3.440 0 1 GGAF Cc1ccc(C(=O)NC2CC(F)(F)C2)cc1NC(=O)c1cnc2ccccn12 206104035 CITATNXHTLRWAC-UHFFFAOYSA-N 384.386 3.423 0 1 GGAF Cc1cc(O)c(C(=O)O)cc1C(=O)O/C=C/c1cc2c(O)ccc(O)c2cc1O 238744153 DMDPGBWTAWPKOU-SNAWJCMRSA-N 396.351 3.497 0 1 GGAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H]3C[C@H]3C2)cc1F 261177377 VEPXWJMZPIAZHG-MRVWCRGKSA-N 381.469 3.208 0 1 GGAF Cc1cc([C@H](C)N(C)c2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1 473132714 UYFCNCITTLQXEV-KRWDZBQOSA-N 378.476 3.037 0 1 GGAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cc(F)c2[nH]1 586961330 HIQBEPBEEZNNBA-YFKPBYRVSA-N 384.234 3.396 0 1 GGAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)s1 587022912 DXAAZIYQWLLTEG-UHFFFAOYSA-N 394.478 3.437 0 1 GGAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c(O)nc(O)nc4[nH]3)c(F)c2)c1 587138541 MMDTYLNJAGXWDQ-UHFFFAOYSA-N 384.298 3.075 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)CCC(=O)O)cc1)O2 587389348 JZMOEPRWWOBEOM-NRFANRHFSA-N 382.416 3.261 0 1 GGAF COc1ccc([C@@]2(Cc3ccncn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587394853 KOLKLJNXTSVFBH-JOCHJYFZSA-N 375.428 3.479 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cccc(C(F)(F)F)c41)[C@@H](C2)C3=O 587423094 QVVXTIVYFNZZIA-BBATYDOGSA-N 375.302 3.309 0 1 GGAF COc1cc2c3c(c1)OC1(CCN(CCOCc4ccccc4)CC1)[C@@H](C2)C3=O 587438753 QWQMNZURLJQAQD-FQEVSTJZSA-N 393.483 3.494 0 1 GGAF CN(Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1)S(C)(=O)=O 587530301 FPYFWLINUJECLS-IBGZPJMESA-N 389.473 3.256 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@]2(Cl)CCOC2=O)N1 587691169 CVROJLZDRSIBIG-BKQRNIBNSA-N 376.653 3.262 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3nn[nH]n3)c2)N1 587790983 DMKRRINNEBSOQI-JDNHERCYSA-N 388.244 3.392 0 1 GGAF COC(=O)[C@@]1(CC(=O)C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804736 FJGPGOFGCMIPCF-BTDLBPIBSA-N 386.261 3.106 0 1 GGAF COC(=O)[C@@H]1C(=O)C[C@]2(C[C@H]1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587811971 YERYLFOQGBVSMW-PZKJLGDBSA-N 398.272 3.106 0 1 GGAF Cc1cccnc1C[C@@]1(C)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962622138 ACFWZURJTQEEDQ-CRAIPNDOSA-N 380.366 3.345 0 1 GGAF O=C(O)CC[C@]1(CCC(=O)c2ccccc2)NCCc2c(C(=O)O)cccc21 963125885 VCSRMZTXOLGVCH-QFIPXVFZSA-N 381.428 3.254 0 1 GGAF Cc1nc(NC(=O)N2CCC[C@H]2C(=O)O)sc1-c1ccnc(C(C)(C)C)n1 1772588316 CZHOFMWXASRDNN-LBPRGKRZSA-N 389.481 3.287 0 1 GGAF Cc1nc2c(N3CCOCC3)ncnc2n1Cc1ccc(-c2ccncc2)cc1 1772617112 WLYLIHVMLOMZKY-UHFFFAOYSA-N 386.459 3.082 0 1 GGAF CC[C@@H]1C[C@H]2C[C@H]3C4=Nc5ccc(OC)cc5[C@@]4(O)CCN([C@H]2CC(C)=O)[C@@H]13 2356394405 BJSOUJIBHFZILQ-PRQQPMJNSA-N 382.504 3.457 0 1 GGAF O=C(N[C@@H]1CCC(=O)N(CCOc2ccccc2)CC1)OCc1ccccc1 15937262 GQCQWLJSHVPYHG-LJQANCHMSA-N 382.460 3.373 0 3 GGAF C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 101768193 PTBFHBJQEHQNOR-JLNYLFASSA-N 384.929 3.145 0 1 GGAF O=C1Nc2ccccc2C2=N[C@@H](CN3CCN(c4ccccc4Cl)CC3)CN12 22940630 WQVURQCXIRJDTR-HNNXBMFYSA-N 395.894 3.139 0 1 GGAF COc1cc(CC[C@H](C[C@@H](CCC[C@H](C)O)OC(C)=O)OC(C)=O)ccc1O 2356511283 FFDQTZNFWHSXQO-GDIGMMSISA-N 396.480 3.138 0 1 GGAF CCCCC[C@H](O)C=C[C@@H]1OC(=O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)OC 2356740566 SRJHRLWLWLZJOG-OKYOBFRVSA-N 382.497 3.066 0 1 GGAF C/C=C(\C)C(=O)O[C@@H]1C[C@H](O)[C@H](O[C@@H](C)CCCCCCC(=O)O)O[C@@H]1C 219954531 IARVMWOCDIKRTC-IZHBXWOUSA-N 386.485 3.191 0 1 GGAF in-vitro CC(C)CCC[C@H](C)NC(=O)C1=NO[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C1 35942991 GIVCTRMYQCEGCH-GXSJLCMTSA-N 392.340 3.318 0 1 GGAF COc1cc2c(cc1OC)-c1c(OC)c(OC)c(OC)c3c1[C@@H](C2)N(C=O)CC3 14639546 HIKWAONBTVZAOK-OAHLLOKOSA-N 399.443 3.008 0 1 GGAF biogenic CCOC(=O)c1cc(-c2ccccc2)nn1C[C@@H](O)COc1ccccc1OC 40585031 VWYQJCOBYVNMFG-QGZVFWFLSA-N 396.443 3.175 0 1 GGAF Cc1ccc(-n2nnc(C3=NN(C(N)=S)[C@H](c4ccc(F)cc4)C3)c2C)cc1 84602959 PQLAVJONIBEBSM-SFHVURJKSA-N 394.479 3.418 0 1 GGAF CNS(=O)(=O)c1cccc(Nc2nc[nH]c3ncc(-c4ccccc4)c2-3)c1 146365425 UCBHSPGNEZCSHN-UHFFFAOYSA-N 379.445 3.228 0 1 GGAF Nc1nc(NCCNc2cc(-c3ccccc3)nc(N)n2)cc(-c2ccccc2)n1 96906121 DVXYUXLHTDGETF-UHFFFAOYSA-N 398.474 3.289 0 1 GGAF CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@H]2[C@@H]2C[C@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@H]1[C@@H]23 255214340 GYOGHROCTSEKDY-HTMUNZJOSA-N 375.509 3.015 0 1 GGAF CCOC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ncc(Br)cc32)c1C 473249320 UJFVTBMQVOGMKU-SDQBBNPISA-N 390.237 3.458 0 1 GGAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)c1 653861817 QWUPOGXPFLNSOC-UHFFFAOYSA-N 386.411 3.493 0 1 GGAF COC(=O)C(=O)C[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348865 HRPOHFUQOQVINA-UGKGYDQZSA-N 398.386 3.171 0 1 GGAF O=C1C[C@@H]2C[C@]3(C[C@@H]2CN1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 587349750 QNJKYQGFPKQTTK-UOSAEHAVSA-N 381.403 3.175 0 1 GGAF Cn1c(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)nc2ccccc21 587655224 XICGOPIZCSEDNJ-UHFFFAOYSA-N 384.848 3.369 0 1 GGAF CCOC(=O)C[C@]1(COCc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443908 QOTSICODJCHUEN-WZONZLPQSA-N 396.439 3.351 0 1 GGAF CCn1c(C)cnc1[C@@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963156018 ZPQTUVGKJFYFKE-OLZOCXBDSA-N 392.481 3.004 0 1 GGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc(F)ccc1N1CCOCC1 963605674 GYTOJVOKIYOFOF-JLCFBVMHSA-N 386.467 3.303 0 1 GGAF CCOc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1 1772579900 UNOCWCFKRCVLND-RYUDHWBXSA-N 395.385 3.052 0 1 GGAF Cc1ncc(C2([C@H](C)NC(=O)c3c(F)cccc3Cl)CCOCC2)cn1 1772649452 MQWUFPQPJYHBKY-LBPRGKRZSA-N 377.847 3.444 0 1 GGAF CNCCCOc1c(Br)cc(CCN(C)C)cc1Br 14594685 KILPEVWUBHJHJA-UHFFFAOYSA-N 394.151 3.304 0 1 GGAF biogenic CCN(CC)c1ccnc(Nc2ccc(OCCCN3CCOCC3)cc2)n1 1857574773 HAOCHYYALYVRLU-UHFFFAOYSA-N 385.512 3.168 0 1 GGAF Cc1c(-c2cc(C(=O)N[C@H](C)C(=O)O)on2)oc2ccc(Br)cc12 1857582869 AXPGEAVDAJLSNO-MRVPVSSYSA-N 393.193 3.362 0 1 GGAF O=C(c1ccco1)N1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1 1370708 DUQIHROMHCMNBQ-UHFFFAOYSA-N 391.456 3.309 0 3 GGAF CC(C)(C)C(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3ccc(F)cc3[nH]2)C1 2356349127 SKFMRUUULSNIFK-CHWSQXEVSA-N 375.444 3.230 0 1 GGAF Cc1c(Br)cn2c(CSCCO)cnc2c1Br 3585561 YTMYVLNJIVZZIC-UHFFFAOYSA-N 380.105 3.393 0 1 GGAF CC(C)CC[C@H](O)[C@@H](C)COCc1ccc(S(=O)(=O)N2CCCC2)cc1 103236502 MSSGDNOJSYNXEW-PXNSSMCTSA-N 383.554 3.421 0 1 GGAF CN1C(=O)c2ccc(Nc3ccc([125I])cc3)cc2C1=O 101966299 AIZUHTVHAMBNDQ-RFLHHMENSA-N 376.170 3.261 0 1 GGAF Cc1ccc2c(c1)c1c(n2CC(=O)O)CC[C@@H](N(C)c2ncc(Cl)cn2)C1 118882389 FCWLTWWCVCUZNW-CQSZACIVSA-N 384.867 3.471 0 1 GGAF COc1ccc(Cl)cc1-c1ccc2c(c1)C(=O)N1CC[C@@H](OC)[C@H]1C(=O)N2 8297090 PPFNTMIOWNOCGM-MSOLQXFVSA-N 386.835 3.197 0 1 GGAF biogenic COc1ccc(C2=NO[C@@H](Cn3nc(-c4ccccc4)cc3C(=O)O)C2)cc1 36387814 BDZNFGGDUISPLZ-QGZVFWFLSA-N 377.400 3.450 0 3 GGAF CC[C@@H]1C(=O)C[C@H]2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@H]3CCC[C@@H]1[C@@H]32 211060351 LMTCGNFIWWWMEE-WMJIZHEVSA-N 391.533 3.490 0 3 GGAF O=C(O)c1cn(Cc2cnc(-c3ccccc3)nc2)c2c(F)cccc2c1=O 45368042 SKNHGBJADFDQDC-UHFFFAOYSA-N 375.359 3.344 0 1 GGAF CCCNCCOc1cc(O)c2c(=O)cc(-c3ccc4c(c3)OCCO4)oc2c1 40424098 IUTGKHMECZLWEC-UHFFFAOYSA-N 397.427 3.315 0 1 GGAF Cc1nccc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)n1 146163954 NCFZOHVZLVQZGK-LSKLOWJMSA-N 376.432 3.098 0 1 GGAF O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccccc3Cl)cc2)C1 95552671 LWZYGSMEBIYHQE-AWEZNQCLSA-N 379.865 3.492 0 1 GGAF Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)N2CCOCC2)cn1 143240486 QDJRENYUDYVFRP-UHFFFAOYSA-N 397.406 3.236 0 1 GGAF O=C(CCC1=NCc2ccnc(NC3CCCCC3)c21)N1CCN(C2CC2)CC1 96175964 HJOXEBXCBHJYSE-UHFFFAOYSA-N 395.551 3.216 0 1 GGAF OCCn1cc(-c2ccc(-c3cc4c(Nc5ccncc5)ncnn4c3)cc2)cn1 299830189 LMJXDDVDHRSRGV-UHFFFAOYSA-N 397.442 3.391 0 1 GGAF Cc1cc2nc(CCNC(=O)c3ccc(-n4cncn4)cc3Cl)[nH]c2cc1C 299861959 MGGCEYHSLVFKDF-UHFFFAOYSA-N 394.866 3.386 0 1 GGAF CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 473162664 GYAFWBNFEWOLSG-PVAVHDDUSA-N 385.439 3.395 0 1 GGAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cncc(Cl)c2[nH]1 586935846 JDYSUSSFSCWCMM-CYBMUJFWSA-N 396.925 3.384 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)C3CC3)CC2)N1 587768203 LMBIFRIPDILUJZ-NSHDSACASA-N 381.289 3.350 0 1 GGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586915925 JFBRIWGPNSFCCI-KUHUBIRLSA-N 386.429 3.026 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc[nH]c(=N)c1 587864733 OEJZGFHMENQXHS-UHFFFAOYSA-N 376.338 3.464 0 1 GGAF COc1cc(C2(c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)CC2)ccc1C 587927213 PKOVZGBZGVXEGV-UHFFFAOYSA-N 385.489 3.210 0 1 GGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccnc(Br)c2[nH]1 587194645 WTXRBGYAXKLRRF-LLVKDONJSA-N 398.305 3.238 0 1 GGAF Cc1cc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c2cc1Br 587142153 LLLRIZDTNSSYQA-UHFFFAOYSA-N 384.230 3.087 0 1 GGAF CCn1nc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c2ccccc2c1=O 587875735 LIQLWRRHBBTDDN-UHFFFAOYSA-N 376.347 3.213 0 1 GGAF COc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587591399 CJRIHCHKKWZWIS-AVRDEDQJSA-N 389.363 3.210 0 1 GGAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@]2(N1)C(=O)Oc1ccccc12 963183117 SIXSSOIYKDSNEH-DYVFJYSZSA-N 397.736 3.120 0 1 GGAF CN1C(=O)C(O)=C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)[C@@H]1C1CC1 141933363 QVZKDNBZHQDSIP-HNNXBMFYSA-N 383.275 3.105 0 1 GGAF CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccc(N)cc1)[C@@H]23 1772614342 SSNASCUEXQVKNP-ZXNZYJFHSA-N 391.581 3.323 0 1 GGAF COc1cc2c(cc1OC)[C@H]1O[C@@H](OC)c3c(ccc4c3OCO4)[C@@H]1NCC2 15257536 JEUAVYPZVKRQOZ-QKNQBKEWSA-N 385.416 3.036 0 1 GGAF endogenous,in-man O=C(O)CCC/C=C\C[C@@H]1[C@@H]2O[C@@H]([C@@H]1/C=C/[C@@H](O)C1CCCCC1)[C@H]1O[C@@H]21 169341710 BLPTUHHFIMEDBU-NULJBQICSA-N 376.493 3.466 0 1 GGAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]21 204645733 LWDJYEJRZVMWMH-QWFCFKBJSA-N 396.362 3.353 0 1 GGAF CC(C)(C)NC(=O)[C@@H](OC(=O)c1ccccc1)[C@H]1O[C@@H]1c1ccccc1[N+](=O)[O-] 205634828 DHNVANGNGHGFTF-SQNIBIBYSA-N 398.415 3.175 0 1 GGAF COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C(C)=O)CC3 3626719 BRACWKFAIOSVJR-INIZCTEOSA-N 383.444 3.390 0 1 GGAF CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC 13544791 JAXUAGQDLYDLQB-OAHLLOKOSA-N 396.417 3.492 0 1 GGAF in-vivo COc1cc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc(OC)c1O 14437149 LRBNYMQUUAIWST-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic,in-vitro Nc1ccnc(N2CCC(n3c(=O)n(-c4ccccc4)c4cccnc43)CC2)c1 40954844 WPXGNLXJEOWBMM-UHFFFAOYSA-N 386.459 3.006 0 1 GGAF Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c([C@]2(C)COCC(N)=N2)c1 68248420 RAFVKOLBEOKYJW-SFHVURJKSA-N 376.819 3.037 0 1 GGAF in-vitro Nc1cc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)ccn1 84714679 BSKMJCNOEIYKMW-UHFFFAOYSA-N 391.250 3.451 0 1 GGAF CC(C)CNC(=O)[C@@H](c1ccc(Cl)cc1)n1c(=O)[nH]c2ccc(F)cc21 96905539 PBCHNMCCXVXZRQ-QGZVFWFLSA-N 375.831 3.484 0 1 GGAF COc1ccccc1OCCNC[C@@H](O)COC12CC3CC(CC(C3)C1)C2 96939673 SDFVXODQGXDOCU-RQJZOYDLSA-N 375.509 3.010 0 1 GGAF COc1ccc(NC(=O)COC(=O)C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)cc1Cl 102359916 UTENLUJGDPORNR-BHRWCRGXSA-N 393.867 3.162 0 1 GGAF O=c1[nH]c(Cc2ccccc2-c2cncnc2)cc2c1cnn2C1CCOCC1 148407682 DBRFQTGZWSQKSN-UHFFFAOYSA-N 387.443 3.124 0 1 GGAF O=C(O)Cc1ccc2c(c1)OCc1cc(I)ccc1C2=O 169340378 ZLHKTRFPNZXRPC-UHFFFAOYSA-N 394.164 3.042 0 1 GGAF Nc1ccccc1NC(=O)c1ccc(N2C[C@@H]3C[C@@H]2CN3Cc2ccccc2)nc1 169362540 PBMKYZTWPXOURJ-VQTJNVASSA-N 399.498 3.379 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NC[C@@H](O)CC 299884920 URGRKJHTNNHKQB-POZUXBRTSA-N 388.489 3.126 0 1 GGAF COc1ccc(-c2nnc(-c3ccc4nc([C@H](O)C(C)(C)CO)[nH]c4c3)o2)cc1 586900645 IHUISPNTTLOHGZ-KRWDZBQOSA-N 394.431 3.340 0 1 GGAF O=S(=O)(c1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1)C(F)(F)F 586905037 XPLBMSZJYMXHSL-WFASDCNBSA-N 382.363 3.425 0 1 GGAF CCS(=O)(=O)c1cccc(Cc2nc3cncc(Br)c3[nH]2)c1 586923092 YJSRIHRRRWIIRU-UHFFFAOYSA-N 380.267 3.105 0 1 GGAF COc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cn1 587000443 KBJZIJXBVQFVAQ-LBPRGKRZSA-N 386.253 3.453 0 1 GGAF N=c1nc(O)c2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2[nH]1 587111943 TXLBQSLLTUKSJC-UHFFFAOYSA-N 391.275 3.294 0 1 GGAF COc1cc2c3c(c1)O[C@](c1ccncc1)(c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O 587436757 SREPISFUURNQSG-MBSDFSHPSA-N 387.391 3.480 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cnc3ccccn13)CC2=O 587488781 JUXAVQZUPBKENN-JOCHJYFZSA-N 394.427 3.416 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)CCO)nc2)N1 587740888 LIDAVZKDNREBDT-VOJFVSQTSA-N 394.288 3.035 0 1 GGAF CC(=O)C[C@@]1(c2cnn(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587761650 BPGVVOXNEIKPKR-QGHHPUGFSA-N 380.261 3.079 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc3c2NCCO3)N1 587799028 VVEAXLPXXKDMDY-XXFAHNHDSA-N 378.245 3.411 0 1 GGAF CCc1ccc([C@@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587825336 HALJZHWTUHWYSE-JEOXALJRSA-N 394.284 3.239 0 1 GGAF Nc1ncc(-c2nc(N3CCOCC3)c3cccc(Nc4ccccc4)c3n2)cn1 653714819 OWTXVBJDNOTNLU-UHFFFAOYSA-N 399.458 3.249 0 1 GGAF O=C1c2cc(O)ccc2O[C@@H](c2ccccc2)[C@@]12NCCc1nc3ccccn3c12 962988391 YFZJQUCRQGOTTG-ZEQRLZLVSA-N 397.434 3.398 0 1 GGAF CCOC(=O)CC1(O)CCC2(CC1)c1cccc(Br)c1CCN2C 963281384 RVJZSHIBWNCIDO-UHFFFAOYSA-N 396.325 3.391 0 1 GGAF CC(=O)OC[C@@H]1[C@@H](C(=CCC=C(C)C)CO)CC[C@@]2(C)C[C@@]1(O)CC[C@@H]2O 2356596605 LNKWGASOQMUALA-AANPDWTMSA-N 380.525 3.133 0 1 GGAF O=C(Nc1ccnn1C1CCN(Cc2cc3ccccc3[nH]2)CC1)[C@@H]1CCOC1 12203195 NBQFIHPYFFMOEU-QGZVFWFLSA-N 393.491 3.177 0 3 GGAF CCCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1 12480328 NXEKZBMPMPBIGJ-UHFFFAOYSA-N 392.891 3.062 0 3 GGAF CCN(CC)c1c(C)nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cn12 61904170 ORKUTYWBHHTSNI-UHFFFAOYSA-N 380.448 3.148 0 3 GGAF CC=C(C)C(=O)O[C@@H]1CC=C(C)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@H](OC(C)=O)[C@]21C 2356445393 AIRAUUXPYGGOPL-RMZZHJFNSA-N 390.476 3.350 0 1 GGAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1OC 4049438 URVBUDXXWOHXHI-IFMALSPDSA-N 395.503 3.245 0 1 GGAF CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cc(Cl)cc(Cl)c1 100280171 CZZFCNQKPGOYMT-UEKVPHQBSA-N 391.320 3.064 0 1 GGAF Cc1cc(Cn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)on1 113398081 GVLLPSKBAGVQRD-UHFFFAOYSA-N 390.321 3.406 0 1 GGAF COc1cc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)ccc1C(=O)O 116991520 SKRZEXBPEPMKCF-UHFFFAOYSA-N 389.411 3.485 0 1 GGAF CCCCN(CC)c1nc(C)nc2c1n(C)c(=O)n2-c1c(C)cc(C)nc1C 28018251 IZMNIPIPAKOITG-UHFFFAOYSA-N 382.512 3.374 0 1 GGAF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2C[C@@H]2C2=C(COC2=O)[C@H]1[C@H](C)CC=CC(C)(C)O 2356801249 QNTBFRRFWZRIKG-ZJEGRLDJSA-N 376.493 3.417 0 1 GGAF Cc1cc(Nc2cc([C@H]3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)sn1 34892298 GZPYWHILDNLCNY-ZDUSSCGKSA-N 394.508 3.105 0 1 GGAF NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1 224759469 ZQQOTBZCBMBHGP-UHFFFAOYSA-N 385.420 3.006 0 1 GGAF C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCCC 82197508 HIMRHJYGYMWQAI-XWCOLFAPSA-N 386.536 3.488 0 1 GGAF COc1cccc(-c2csc(N3CCC[C@H]3C(=O)NC[C@H]3CCCO3)n2)c1 82193492 OMHYWULASJMRRB-AEFFLSMTSA-N 387.505 3.083 0 1 GGAF Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 225250939 MVNWBCMXRNPKNQ-UHFFFAOYSA-N 395.496 3.419 0 1 GGAF COc1ccc(/C=C2/C(=O)OC[C@@H]2Cc2ccc3c(c2)OCCO3)cc1OC 238742430 YNVZSDKDLGZWAV-KFXAOSDLSA-N 382.412 3.274 0 1 GGAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 586957949 GEHQYWNCOYMPKD-OAHLLOKOSA-N 386.260 3.339 0 1 GGAF CC1=C[C@]2(C=C(C(=O)O)N1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587757267 GRDSUNVQNOSPEB-VVVCHXIZSA-N 381.245 3.135 0 1 GGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc5cn[nH]c5cc4[nH]3)CC2)cc1 586954782 OZCKWFNOUOKTKH-UHFFFAOYSA-N 395.488 3.316 0 1 GGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)cnc2[nH]1 587193850 HIFWKKXHEBDFIY-LLVKDONJSA-N 398.305 3.238 0 1 GGAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 586946007 POTGBDZBCHAONL-UHFFFAOYSA-N 375.784 3.112 0 1 GGAF CCOC(=O)[C@@H]1CSC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587859662 YCTOQVBFTKTWOS-KJRLAJNESA-N 388.302 3.244 0 1 GGAF CCOC(=O)Cn1c(C)cc2c1CCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430582 JHGQLFQZQOPEKS-UZUQRXQVSA-N 395.455 3.347 0 1 GGAF COc1cc2c3c(c1)O[C@@H]([C@@H]1CCN(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 587437432 IJPKZWTXTIVJBW-QRFQSNJMSA-N 393.439 3.470 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@@H](c3c(Br)ccnc3F)c3cccc1c32 963022671 HILOHSIUHCCWOE-JDNHERCYSA-N 376.229 3.126 0 1 GGAF C[C@@]1(CC(=O)Nc2cccc(Cl)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962901541 JOHDNXHJOABJNQ-KXBFYZLASA-N 376.815 3.322 0 1 GGAF Cc1cc(C)c2c(=O)c([C@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)coc2c1 963547916 CAEWFXQCPCTDBL-MGPUTAFESA-N 379.412 3.112 0 1 GGAF CCOC(=O)Cn1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21 13737491 CGNSCCFDOWYWKT-LAUBAEHRSA-N 395.484 3.186 0 1 GGAF CC1(C)C=Cc2c(cc(O)c3c2OC[C@H](c2cc4c(cc2O)OCO4)C3=O)O1 15122160 RMSBRJLIIWEOOT-GFCCVEGCSA-N 382.368 3.370 0 1 GGAF biogenic,in-vitro CCNC(=O)Nc1nc2cc(-c3cccnc3)c(O[C@@H]3CCOC3)nc2s1 169340096 BABKJKPOVFNQHK-GFCCVEGCSA-N 385.449 3.062 0 1 GGAF NC(=O)C1=CN(Cc2ccccc2)C=C(C(N)=O)C1c1cccc2ccccc12 1857559262 NWPLVSNXUAQXNT-UHFFFAOYSA-N 383.451 3.178 0 1 GGAF Cn1nc2c(c1C(=O)NCc1ccccc1)CN(Cc1c[nH]c3ccccc13)CC2 1857597670 XGORMZSWQUUAPX-UHFFFAOYSA-N 399.498 3.390 0 1 GGAF Cc1ccc(NC(=O)SCCC(=O)O)cc1NC(=O)SCCC(=O)O 1620313 VBXNYZHWINKLEJ-UHFFFAOYSA-N 386.451 3.475 0 1 GGAF Oc1ccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)cc1 3820617 HMSGOUUGYSKOHH-UHFFFAOYSA-N 388.431 3.306 0 1 GGAF C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 103260970 ADSVKUMNMQPBKC-LAUBAEHRSA-N 396.487 3.496 0 1 GGAF CCCNC(=O)[C@@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc23)C1 20564843 DRUFQAJNAZJUCE-QGZVFWFLSA-N 392.507 3.175 0 1 GGAF Cc1ccc(S(=O)(=O)N2C[C@H](F)[C@@H](OCc3nc4ccccc4o3)C2)cc1 2356298780 ANHHVCGPMWERAQ-YJBOKZPZSA-N 390.436 3.064 0 1 GGAF COc1ccc([C@@H]2C[C@@H]2C(=O)c2ccc(N3CCN(C)CC3)cc2)cc1OC 64549989 DXFCDSRSDOLBIP-PMACEKPBSA-N 380.488 3.442 0 1 GGAF CC[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@@H](N)CCSC 28757174 FKRBSIPVULUMDG-SAJDGTNDSA-N 376.566 3.304 0 1 GGAF O=C(O)CC/C=C\C[C@H]1[C@@H](F)CC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1 28228251 MXMRPMLIUHJZJN-WLCRSXAISA-N 387.448 3.279 0 1 GGAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@]2(O)CCC[C@@H](C)[C@@]12C 2356429899 AHVYGDRGQJFXOT-KGJAFWRWSA-N 378.465 3.042 0 1 GGAF COc1cc(CC(=O)N(C)[C@H]2CCCC[C@@H]2N2CCCC2)cc(OC)c1OC 26833940 SJPGQPFBCGBOSA-ROUUACIJSA-N 390.524 3.120 0 1 GGAF COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@H]2NC1CCC1 2356813515 CHQYDUYNLDKEBY-UDKICSLYSA-N 380.573 3.007 0 1 GGAF O=C(O)C=Cc1cccc(C(Br)=C(Br)C(=O)O)c1 2356847928 PARKLSRWLGCULU-UHFFFAOYSA-N 376.000 3.327 0 1 GGAF O=C(CN1CCC(c2cccc[n+]2[O-])CC1)Nc1ccc(F)cc1C(F)(F)F 35075447 JQDOXCGVYKSXMG-UHFFFAOYSA-N 397.372 3.296 0 1 GGAF CC(=O)NCCN[C@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 40812597 LRTOUALKQIJUHI-VWLOTQADSA-N 399.494 3.269 0 1 GGAF Brc1csc2c(N[C@H]3CCNC3)nc(-c3ccncc3)nc12 149017004 JFSFDKKSPUEHIX-JTQLQIEISA-N 376.283 3.290 0 1 GGAF NC(=O)c1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1 140015855 RGEJEDSSEOGCRM-UHFFFAOYSA-N 396.410 3.017 0 1 GGAF CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[C@@H](N3CCC[C@H]3C)C2)cc1C 261161150 QXHDJHWLJKVICN-NQSCKRDGSA-N 398.551 3.007 0 1 GGAF Cn1nc(C(=O)O)c2c1Cc1c(nc3cccc4c3c1-c1ccccc1C4=O)C2 587105339 YXVBZBINNBRMMT-UHFFFAOYSA-N 381.391 3.373 0 1 GGAF CS(=O)(=O)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 587081803 VJCFPQPWZHRDMS-UHFFFAOYSA-N 377.853 3.220 0 1 GGAF CN(C)S(=O)(=O)c1cccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 587079244 IDCIRSFWCSVHSC-UHFFFAOYSA-N 388.880 3.470 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(CCc3scnc3C)[nH]c2c1 587027997 LFXAFZYZZUHNDX-UHFFFAOYSA-N 378.523 3.144 0 1 GGAF CC(=O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 587113461 SUBYJBXKYKLXBK-UHFFFAOYSA-N 386.337 3.486 0 1 GGAF COC(=O)c1ccccc1-n1cccc1[C@@H]1NCCc2c(C(=O)O)cccc21 963131610 AFVKXVCPROMODH-HXUWFJFHSA-N 376.412 3.197 0 1 GGAF COc1ncc(C)cc1[C@@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962661383 HVYDMQAPRHAFIM-PKTZIBPZSA-N 391.471 3.309 0 1 GGAF COc1ccc2c(c1OC)[C@]1(c3cc(Cl)ccc3OC[C@H]1N)N(C)[C@@H](C)C2 962575055 VNOHUNLVUQBWJY-VXOKYEDTSA-N 388.895 3.197 0 1 GGAF CCc1c(-c2ccc(N3CC[C@H](C4(N)CCC4)C3)cc2)nc(O)c(C(=O)O)c1O 1772630358 UOLYBUGQWGQPDW-AWEZNQCLSA-N 397.475 3.128 0 1 GGAF Cc1c(-c2cccc(Cl)c2Cl)sc2c1c(=O)n(CCCO)c(=O)n2C 1772588301 CAROHNSINNALDD-UHFFFAOYSA-N 399.299 3.426 0 1 GGAF FC(F)(F)c1cccc(N2CCN(CCCCN3C[C@@H]4CCCN4C3)CC2)c1 19332317 NVCBGFXSGMDPNR-FQEVSTJZSA-N 396.501 3.345 0 1 GGAF CCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CCOCC2)n1)C(=O)O 150184348 HXOMGSVTAKWIMX-UHFFFAOYSA-N 390.480 3.138 0 1 GGAF CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc3c(c2)OCO3)cc1 592939 DLTZICHLUOWHAV-UHFFFAOYSA-N 376.821 3.325 0 1 GGAF O=C(NCCc1c[nH]c2ccccc12)[C@H]1CS[C@H]2c3ccccc3C(=O)N12 2123000 FSMJLDBTPRGNTG-NQIIRXRSSA-N 377.469 3.097 0 1 GGAF biogenic C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4205214 GGCKCPKZADUGGX-QMIHWGKISA-N 385.895 3.498 0 1 GGAF CCC=CC[C@H](O)[C@H](O)C=CC=CC=CC=C[C@H](O)CC=CCCC(=O)O 2356345020 IKFAUGXNBOBQDM-PCCBWWKXSA-N 376.493 3.461 0 1 GGAF CN(C(=O)C1=CC2=N[C@@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1)c1ccccc1 104009497 AHIPQEVESXHYLE-CJNGLKHVSA-N 390.365 3.421 0 3 GGAF COc1ccc(CCN(C)CCCN2CCc3ccccc3CC2=O)cc1OC 29313671 MGXJFIXWYDXXKR-UHFFFAOYSA-N 396.531 3.196 0 1 GGAF COc1ccc(C2=CNN3C2=N[C@@H](NCCCN(C)C)c2ccccc23)cc1 103150366 NOAMAVWLRJYWOJ-OAQYLSRUSA-N 377.492 3.013 0 1 GGAF O=C1CC[C@](c2ccccc2)(C2CCN(Cc3cccc(F)c3)CC2)C(=O)N1 26005389 QVSJHGJPOVSIAV-QHCPKHFHSA-N 380.463 3.412 0 1 GGAF CN(C)C(=O)Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 66166774 VICLNIKHOVPNED-UHFFFAOYSA-N 395.503 3.070 0 1 GGAF O=C1NC(=O)[C@@H](c2cc(Cl)ccc2[S@](=O)Cc2ccc(Cl)cc2)N1 28226056 ABOWUFCCIBSPCV-SHACYNPGSA-N 383.256 3.182 0 1 GGAF CC[C@@H]1[C@H]2CCCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)C[C@H]([C@H]23)[C@@H]2[C@H](C)C(=O)O[C@@H]21 70454828 GYOGHROCTSEKDY-KYSMXOASSA-N 375.509 3.015 0 1 GGAF biogenic,in-vitro CCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)on(Cc3cccc(O)c3)c21 40424017 GHCJUDZBDUVDGX-UHFFFAOYSA-N 388.782 3.476 0 1 GGAF NC(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 49049543 RVGPRODDRDZBQK-UHFFFAOYSA-N 393.491 3.377 0 1 GGAF CN(C[C@@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccc(F)c2)cc1)C(=O)C1CCC1 95895177 NGAVGIQPQLEOCP-BHDDXSALSA-N 382.479 3.168 0 1 GGAF N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cccnc3)c2=O)cc1 25427514 QXFHCWWFBSPWJW-XLIONFOSSA-N 396.450 3.041 0 1 GGAF biogenic CS(=O)(=O)[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587361255 SPRFRGMDCTXHNN-GGPKGHCWSA-N 390.432 3.226 0 1 GGAF COc1cc2c3c(c1)O[C@@H]([C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587435286 FCXJTYNOPZMSPJ-PMUMKWKESA-N 389.448 3.183 0 1 GGAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(NC(C)=O)cc1)[C@@H](C2)C3=O 587430535 VGWOBYJGOYNTKU-APEGBLAYSA-N 392.455 3.372 0 1 GGAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(O)ncnc4[nH]3)cc2F)c1 587144123 QLSLHUTYDBRCIP-UHFFFAOYSA-N 380.335 3.238 0 1 GGAF CN1CCN(c2ccc3nc(/C=C/C(=O)Nc4ccc(F)cc4)[nH]c3c2)CC1 587167575 VYPUTJAGRFYLQX-CMDGGOBGSA-N 379.439 3.106 0 1 GGAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@H]1CN(C)CCO1)[C@@H](C2)C3=O 587420734 IXFBDSIMCPLTEF-LRXVAGHRSA-N 399.874 3.322 0 1 GGAF N=c1[nH]ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586961590 SEJBEUYPULDZQQ-JQFCIGGWSA-N 397.504 3.065 0 1 GGAF COc1nccc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c12 586986103 WATROJRPDFBBLO-AWEZNQCLSA-N 389.253 3.149 0 1 GGAF CN(C)c1ncc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)n1C 962949830 CVCHTWMYZOLNPE-KRWDZBQOSA-N 394.441 3.246 0 1 GGAF c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCN(CC2CCCCC2)CC1 1772589037 ZMIXZDFAIQPNIS-UHFFFAOYSA-N 398.599 3.379 0 1 GGAF COc1cccc(C(=O)NCCN2CCN(c3cccc4ccccc34)CC2)c1 13492653 LNJYRDUSWBJTCS-UHFFFAOYSA-N 389.499 3.400 0 1 GGAF CC(=O)N(C)Cc1ccc(CN2CCN(c3ccccc3OC(C)C)CC2)n1C 13743830 ZIOSSBQRBPKWQN-UHFFFAOYSA-N 398.551 3.113 0 1 GGAF CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5 13862653 YYMLAPSSCTYSTC-IBURTVSXSA-N 388.467 3.183 0 1 GGAF O=C(NCc1ccco1)c1csc(N2CCN(Cc3ccccc3)C2=O)n1 205209192 SDPWHMQBRZCXBP-UHFFFAOYSA-N 382.445 3.108 0 3 GGAF COc1ccc(C(=O)CCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 1857632330 OPADBQMLRQHPSF-UHFFFAOYSA-N 385.460 3.352 0 1 GGAF CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCCCN(C)c2ccccc2)cc1 2465512 WKOZLWQQINIGOY-HSZRJFAPSA-N 394.519 3.136 0 1 GGAF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4049370 NPWYGZDVVJKGJY-LJHODMEESA-N 390.842 3.458 0 1 GGAF OC1CCN([C@H](c2ccc3ncccc3c2)c2nnnn2C2CCCCC2)CC1 59784906 ZVBSOIFLNCLOQY-OAQYLSRUSA-N 392.507 3.273 0 3 GGAF COc1cc2[nH]c(=S)n(CCc3ccccn3)c(=O)c2cc1-c1cnco1 28338018 GGRNCNHGMCMTCJ-UHFFFAOYSA-N 380.429 3.360 0 1 GGAF COC1=NC2=Nc3ccc(OCCCC(=O)N(C)C4CCCCC4)cc3CN2C1 26941902 FXNLKRWBLHBCQU-UHFFFAOYSA-N 398.507 3.498 0 1 GGAF O=C(c1cc(=O)c2cc(O)ccc2[nH]1)N1CCC(Cc2ccc(F)cc2)CC1 28817936 LKPBNPWHIMZYIV-UHFFFAOYSA-N 380.419 3.468 0 1 GGAF COc1cc(CNc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC 38358822 RSOYZWWGCDTTDT-UHFFFAOYSA-N 391.431 3.453 0 1 GGAF Nn1c(Cc2c(NC(=O)c3ccccc3)sc3c2CCCC3)n[nH]c1=S 72174986 LETKAPAOLTWAHA-UHFFFAOYSA-N 385.518 3.438 0 1 GGAF CN1C(=O)C[C@@H](c2ccccc2)N=C1SCc1cn(-c2ccccc2)nn1 1911585431 MISUHWOOCZVMAS-SFHVURJKSA-N 377.473 3.460 0 1 GGAF COc1ccc(C(=O)[C@@H]2NS(=O)(=O)c3cc(C)c(Cl)cc3S2)cc1 40848949 SLSAJEKSLURAGJ-MRXNPFEDSA-N 383.878 3.250 0 1 GGAF COc1ccccc1CNc1nc(N2CCN(c3ccccn3)CC2)ncc1C 82203838 RDAKCROKZZUQFN-UHFFFAOYSA-N 390.491 3.127 0 1 GGAF NS(=O)(=O)Oc1ccc(NC(=O)NC2c3ccccc3-c3ccccc32)cc1 84670333 WMSGIFCKNNYVEP-UHFFFAOYSA-N 395.440 3.160 0 1 GGAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccco2)C1 82142336 QMTINNDLIZJBCM-HOTGVXAUSA-N 384.480 3.224 0 1 GGAF CC(C)CNc1ncnc2c1nc(-c1ccoc1)n2CCCN1CCCC1=O 82177955 VYSJNGINDKNIAW-UHFFFAOYSA-N 382.468 3.167 0 1 GGAF Cc1cccc([C@H]2C[C@@H]2COc2cc(NCc3ncc(C)s3)c(=O)n(C)n2)n1 221925388 FOGDEYRXOPTFMK-CABCVRRESA-N 397.504 3.043 0 1 GGAF C[C@@H](CCC(=O)O)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1 144316059 WNTDNXVHRKTOAJ-JTQLQIEISA-N 378.425 3.434 0 1 GGAF COc1ccc(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)cc2)cc1 141924514 UYWQZYLBQGJDLM-UHFFFAOYSA-N 393.443 3.436 0 1 GGAF O=C(Nc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1cocn1 95893585 USWLZHJSCCQWPG-PWRODBHTSA-N 390.443 3.056 0 1 GGAF Nc1nccn2c1c(-c1ccc(O[C@H]3CCCCO3)cc1)nc2[C@H]1C[C@@H](O)C1 261077283 BCBZMCJUHJMXOO-UXLLHSPISA-N 380.448 3.122 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CNc5ccccc5C4)ncc23)ccn1 261181084 WDOSCIHABDZRSZ-MRXNPFEDSA-N 399.458 3.487 0 1 GGAF CC1=C(c2ccc3nc(C4(O)CCC(C(F)(F)F)CC4)[nH]c3c2)NNC(=O)C1 587127249 URMYTYUJOQILII-UHFFFAOYSA-N 394.397 3.259 0 1 GGAF COc1cc2c3c(c1)O[C@@H]([C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587435288 FCXJTYNOPZMSPJ-SUNYJGFJSA-N 389.448 3.183 0 1 GGAF COc1ccc([C@]2(C[C@H](C)C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587443193 PHDUQDATQUZXPX-DGIMUSOZSA-N 382.412 3.458 0 1 GGAF COC(=O)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587117304 BPYZBYUNCYUODJ-UHFFFAOYSA-N 391.309 3.268 0 1 GGAF CC(=O)c1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C 587763575 KFXIMCQTBQBSRD-XYZCENFISA-N 380.261 3.322 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(C)c(Br)c21 587372059 NVUJNJSRGQYHJA-GOSISDBHSA-N 387.233 3.461 0 1 GGAF CCc1cnccc1[C@]1(C)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962646100 WFHNWDDKJCBICF-KDOFPFPSSA-N 380.366 3.405 0 1 GGAF CCOC(=O)CCn1cccc1[C@@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962619806 GNGWSDQNCKENAA-QVKFZJNVSA-N 386.492 3.424 0 1 GGAF COc1cc(F)c([C@@H]2NCCc3nc4ccccn4c32)cc1Br 962983543 LFFAGYQXSGRCES-INIZCTEOSA-N 376.229 3.480 0 1 GGAF Cn1cc(-c2cc3c(-c4cccc(N[C@H]5CC[C@@H](N)CC5)n4)n[nH]c3cn2)cn1 1772597109 IPOYATYDYGQZPO-GASCZTMLSA-N 388.479 3.102 0 1 GGAF COc1cc2c(cc1O)[C@H]1O[C@H](OC)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 15257582 NRJVOXUCVMTVSZ-ZVDOUQERSA-N 385.416 3.075 0 1 GGAF endogenous,in-man COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@]1(O)C[C@@H]1c2ccccc2N[C@@H]1C3 169359527 IHRCRJPSYSWXEH-DYEZNVCCSA-N 392.499 3.002 0 1 GGAF Cc1ccc(CCN=c2[nH]c(N3CCCC[C@@H]3CO)nc3ccccc23)cc1 1857543795 JXAZQUJZCBPFPU-LJQANCHMSA-N 376.504 3.366 0 1 GGAF CCCCN1C=N[C@H]2C(=O)NC(Cc3ccc(OCc4ccccc4)cc3)=N[C@H]21 1857554084 BVPKCYPAUDDAOW-YADHBBJMSA-N 390.487 3.175 0 1 GGAF CCc1c(-c2ccc(N3CC[C@@H](CNC)C3)cc2)nc(O)c2c(O)nsc12 1857606236 AKOCPVUCAGBXMY-LBPRGKRZSA-N 384.505 3.378 0 1 GGAF CCOc1ncc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1Cl 1857748707 YMDYEFKZTAVQBK-UHFFFAOYSA-N 382.869 3.109 0 1 GGAF Cc1ccc(S(=O)(=O)N2C(=O)NC[C@H]2c2ccc(Br)cc2)cc1 26572247 XVMFJDAIDRZNRP-HNNXBMFYSA-N 395.278 3.213 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)c4cncc(Cl)c4)ccc31)[C@H]1CC[C@H](C2)N1 100632509 IWIPFHPMQACIHG-MLGOLLRUSA-N 387.892 3.409 0 1 GGAF NCC1(CC(=O)OCCCOC(=O)CC2(CN)CCCCC2)CCCCC1 26571780 RWLXGKFCJHGWJK-UHFFFAOYSA-N 382.545 3.062 0 1 GGAF CC(=O)Oc1ccc([C@@H]2Oc3cc(OC(C)=O)ccc3C[C@H]2OC(C)=O)cc1 2356454069 XTAYSFZADVNQKM-RTWAWAEBSA-N 384.384 3.145 0 1 GGAF COc1ccc(NC(=O)N2CCCN(Cc3ccc4nccnc4c3)CC2)cc1 21648990 AJZICSYPMQVJLG-UHFFFAOYSA-N 391.475 3.378 0 1 GGAF CC(=O)c1cc(Br)ccc1NCC(=O)Nc1ccccc1C(=O)O 28644274 SGJWDOZOWCZCRZ-UHFFFAOYSA-N 391.221 3.401 0 1 GGAF c1cc(-c2ccc(-c3nc4cc(C5=NCCN5)ccc4[nH]3)o2)ccc1C1=NCCN1 29569987 YZJPVWWVBOFEMQ-UHFFFAOYSA-N 396.454 3.190 0 1 GGAF CS(=O)(=O)c1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 114334970 OLGYHXPKEZCVEP-GOSISDBHSA-N 384.505 3.043 0 1 GGAF CC(=O)OCC(=CCCC(C)=CCO)CC[C@H](O)[C@]1(C)CC[C@@H](C(C)(C)O)O1 2356610318 HQNQQDPJKGHMFM-ONTIZHBOSA-N 398.540 3.044 0 1 GGAF CCC[C@H](C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncncc23)c1F 113488305 SGFYJAJJLZZCEB-NSHDSACASA-N 390.440 3.258 0 1 GGAF COc1cc([C@@H]2C[C@@H](O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC 40933383 QIVJEPKRLFVSAS-GXTWGEPZSA-N 390.432 3.307 0 1 GGAF O=C1C(=O)N(CCCCCCN2C(=O)c3ccccc3C2=O)c2ccccc21 71316122 ZSEXYESUSYJQHV-UHFFFAOYSA-N 376.412 3.073 0 1 GGAF CCCCCN1C(=O)[C@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@H]2C1=O 32304127 ZXWOIFZYPFUNNQ-CAZKKTPXSA-N 375.468 3.215 0 1 GGAF in-vitro CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(C)=O)cc2)o1)C1CCCCC1 45253051 YVBGXCJHHIEFPR-FQEVSTJZSA-N 397.475 3.330 0 1 GGAF COCCn1c(-c2cccnc2)nc2c(NCCc3ccccc3F)ncnc21 82180713 QYGHTNJMWMGEJB-UHFFFAOYSA-N 392.438 3.328 0 1 GGAF NS(=O)(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2O)c1 96273122 HSIBFVUETZQWID-UHFFFAOYSA-N 390.461 3.128 0 1 GGAF CN(C)S(=O)(=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587951044 QROQKKJIFJCEAC-UHFFFAOYSA-N 389.521 3.299 0 1 GGAF COC(=O)[C@@H]1CC(OC)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587807987 GHBYESPLNBVCAP-YALKKGATSA-N 384.245 3.041 0 1 GGAF COC1(OC)CCOC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587359530 RURNMPJDNNGDLF-UYAOXDASSA-N 388.391 3.038 0 1 GGAF COc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cn1 587019180 UQWKBRRDQYXXNG-UHFFFAOYSA-N 380.429 3.452 0 1 GGAF Cc1nn(-c2c(C)[nH]c3c(C(=O)O)cccc23)cc1I 587637755 HOJCPZSBJDENKO-UHFFFAOYSA-N 381.173 3.273 0 1 GGAF CC(C)(CN1CCOCC1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592703 ITVGTXVUYSMTPY-WIYYLYMNSA-N 383.444 3.081 0 1 GGAF COC(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587588716 RRMHRLZNMIKWNH-YLJYHZDGSA-N 377.352 3.277 0 1 GGAF OC1(c2nc3cc(Br)c(Br)cc3[nH]2)CCOCC1 586914156 UVAHDCLOKANXEV-UHFFFAOYSA-N 376.048 3.086 0 1 GGAF Cn1c2c(ccc1=O)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585467 DIHJTXREFCQUFF-NZQKXSOJSA-N 389.407 3.284 0 1 GGAF CC(C)C[C@@]1(c2ncnn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578976 CFJXTXKJCUCREQ-LAUBAEHRSA-N 379.416 3.424 0 1 GGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2nc(Br)c[nH]c-2n1 586915455 DGFVAUJBORQWGH-GTNSWQLSSA-N 387.237 3.283 0 1 GGAF C[C@@]1(c2cccc3c2OCO3)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962694463 HHEMUETWQSQYPZ-KDOFPFPSSA-N 397.324 3.436 0 1 GGAF Cc1cc2c(cc1O)[C@H](Cc1cccc(OC(F)(F)F)c1)N[C@H](C(=O)O)C2 963547226 ANEHBWHPNMSSLT-HOTGVXAUSA-N 381.350 3.482 0 1 GGAF CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)CCCN3CCCC3=O)C2)cc1 12002535 UWAWDPKKWBVPCQ-JOCHJYFZSA-N 399.579 3.368 0 3 GGAF COc1ccccc1C(=O)N(C)CC1(c2ccccc2)CCN(C(C)=O)CC1 13488541 CSTRXYJRQVDIPM-UHFFFAOYSA-N 380.488 3.348 0 1 GGAF C[C@H]1CC[C@H]2C(=O)N3CCC[C@H]3C(=O)N2[C@@H]1c1ccc(Br)cc1 13782974 OPKHASDRVSLFHV-DDWPSWQVSA-N 377.282 3.122 0 1 GGAF COc1ccccc1[C@H]1OC(=O)C[C@H]1C(=O)OC[C@@H]1CCCN2CCCC[C@@H]12 13815049 RLQUGMOZSOFTJC-CQSHLORDSA-N 387.476 3.107 0 1 GGAF CC[C@H](COC)NC(=O)CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1 14887197 YLYBEVRGQMYRDI-AUSIDOKSSA-N 382.504 3.353 0 1 GGAF COC(=O)C1=C(C)N2CCCO[C@@]2(C)[C@H](C(=O)OC)[C@@H]1c1cccc(Cl)c1 17220890 AEIJDYWCBYHIFL-UWVAXJGDSA-N 393.867 3.112 0 1 GGAF CCN(CC)CCC[C@H](C)Nc1c(N[C@@H](C)CCCN(CC)CC)c(=O)c1=O 169326109 DUMPTKHXGWYDCR-ROUUACIJSA-N 394.604 3.127 0 1 GGAF CCc1nn([C@@H](C)C(=O)N[C@H](C)CCc2ccco2)c(=O)c2cc3occc3n12 4034858 QBDMSRDFZMFARG-KGLIPLIRSA-N 396.447 3.096 0 3 GGAF Brc1cccc(CN[C@H]2[C@H]3[C@H]4[C@@H]5[C@@H]6C[C@H]4[C@@H]2[C@H]6C2(OCCO2)[C@H]53)c1 101263654 WAUBOCWMTBAXMK-OOXLKWQUSA-N 388.305 3.038 0 1 GGAF O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)c1nnnn1CCc1ccncc1 28822096 XRWIVYMHRAOULG-UHFFFAOYSA-N 396.760 3.235 0 1 GGAF CCC(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(OC)c(OC3CCCC3)c2)C1 29570019 QAPZHNDHJZHKPX-DLBZAZTESA-N 375.465 3.142 0 1 GGAF O=C1c2ccccc2[C@]2(CC(O)=NC2=O)N1Cc1ccc(Br)cc1 27523457 YYCOTDIZDQHPKL-SFHVURJKSA-N 385.217 3.187 0 1 GGAF O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2c(F)cccc21 22941234 XAJRENDYYQHIBY-UHFFFAOYSA-N 387.886 3.186 0 1 GGAF COc1cccc([C@@H]2CC=C(C(=O)O)CN2S(=O)(=O)c2ccc(C)cc2)c1 36387291 AJQCOLGGDXCAPE-IBGZPJMESA-N 387.457 3.150 0 3 GGAF NC(=O)[C@@H]1CCCN1c1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 49709693 QJWPAVVFJOUUOW-KRWDZBQOSA-N 398.846 3.480 0 1 GGAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H]1CCCC[C@H]1N2 82213035 HBGPZQXLDXTEKK-QZTJIDSGSA-N 397.523 3.211 0 1 GGAF Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1CO 40895145 NJSVKCVXSOFHRQ-IYSOMAHNSA-N 380.532 3.474 0 1 GGAF O=c1oc2cc(NCCN3CCOCC3)ccc2cc1-c1nc2ccccc2[nH]1 96907918 CHDFJKZCBJXMLX-UHFFFAOYSA-N 390.443 3.080 0 1 GGAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](O)[C@H](C)[C@@]2(C)CC/C(C)=C\C(=O)OC[C@H](O)CO 238786521 CDDTUFYDAJIDKP-MPFVTLECSA-N 394.552 3.379 0 1 GGAF Oc1nc(NCc2ccccc2)c2nc(C(C[C@H]3CCCN3)=C(F)F)nc-2[nH]1 587088092 IVCQNMJYVWGYOS-GFCCVEGCSA-N 386.406 3.372 0 1 GGAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc4c(c3)OCO4)c(C(=O)C(F)F)c2c1 587650469 XBNFTLYLCNVMPN-UHFFFAOYSA-N 393.367 3.415 0 1 GGAF Cc1cc(Cl)cc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c12 587227012 HNIOTSQIHVGZMT-UHFFFAOYSA-N 386.839 3.067 0 1 GGAF COCC1CCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)CC1 11666607 ATUPXQYNNLNFDW-UHFFFAOYSA-N 381.432 3.300 0 3 GGAF COc1cccc(CN(C)C(=O)[C@@H]2CCC(=O)N(Cc3cccc(F)c3)C2)c1 11842236 JZFZJZPXBUHLJG-GOSISDBHSA-N 384.451 3.232 0 3 GGAF CN1C(=O)[C@H]([C@@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)c2ccccc21 169490090 BGIKYDQVZJXXMV-ZJSXRUAMSA-N 384.435 3.181 0 3 GGAF CN(C)CCC[C@H](N)C(=O)NC(CCc1ccccc1)CCc1ccccc1 1857569147 CZRHWQKLQBSVLL-QHCPKHFHSA-N 381.564 3.406 0 1 GGAF CC(=O)Oc1ccc2c(c1)c1c(=O)oc(N(C)C)nc1n2Cc1ccccc1 1857066 ZSYYVVYZRZGBAH-UHFFFAOYSA-N 377.400 3.182 0 1 GGAF CC1CCC(NC(=O)CN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)CC1 6796286 KAXUIYGPIOOSMB-LAGYLCCXSA-N 379.460 3.243 0 1 GGAF CSc1ccc(CCNC(=O)Cn2ncc3c4ccccc4nc-3c2O)cc1 101878447 AKKCTFDTQTTZRN-UHFFFAOYSA-N 392.484 3.323 0 1 GGAF CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4c3OCO4)n2)c1 64528004 YZQWWQPQOLRGER-UHFFFAOYSA-N 384.417 3.096 0 1 GGAF CC(C)(O)c1ccc(-c2cnc3c(n2)N(CC2CCCCC2)CC(=O)N3)cn1 113195972 QKLRYTKMUYKEAJ-UHFFFAOYSA-N 381.480 3.105 0 1 GGAF O=C(NC(=O)c1ccc(F)cc1)Nc1cccc([C@@H]2CN3CCSC3=N2)c1 29389935 DIRDOOBXWNXTAP-INIZCTEOSA-N 384.436 3.247 0 1 GGAF COc1ccc(C[C@@H]2C(=O)OC[C@H]2Cc2ccc3c(c2)OCCO3)cc1OC 2356606497 RQLDIROHMXEAOI-SJORKVTESA-N 384.428 3.049 0 1 GGAF CC1CCN(C[C@H]2CN3CC[C@H]2C[C@H]3CNC(=S)Nc2ccccc2)CC1 2356862321 UZGFHHVXUWOXQU-ZJOUEHCJSA-N 386.609 3.415 0 1 GGAF O=c1n(Cc2nc3ccccc3n2CCCCCO)c2cnccc2n1C1CC1 28820872 UJEZJTAIDLYMAF-UHFFFAOYSA-N 391.475 3.094 0 1 GGAF CCCCn1ncc(C(=O)Nc2cc(C(=O)Nc3ccon3)ccc2C)c1N 64560078 YNVJBPXDPSAYKP-UHFFFAOYSA-N 382.424 3.066 0 1 GGAF Cc1ccc(-n2nnc3c4c(cc(F)c32)c(=O)c(C(=O)O)cn4C2CC2)cc1 1911570457 IVNCRXJTBXEVCT-UHFFFAOYSA-N 378.363 3.216 0 1 GGAF COc1ccc(CCn2nnn[n+]2C2(c3ccc(C)cc3)CCCCC2)cc1 40810751 XAKJLMRUCYYSJM-UHFFFAOYSA-N 378.500 3.228 0 1 GGAF Nc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 223664055 OCBYSWTZGZHWKV-HNNXBMFYSA-N 376.489 3.317 0 1 GGAF Fc1cnccc1-c1nc(N[C@@H]2CCNC2)c2scc(Nc3ccon3)c2n1 223663147 FKEJAGZKGNZZRS-SNVBAGLBSA-N 397.439 3.398 0 1 GGAF CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1csc(-c2ccccc2)n1 82070433 XDQHUIDLTVTOOS-OAHLLOKOSA-N 389.521 3.251 0 1 GGAF Cc1n[nH]c2c1[C@H](c1ccc(F)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O 261176292 UXOOYKGHOJVFQB-SFHVURJKSA-N 394.385 3.406 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cnc(OC4CCC4)nc3)C2)cc1 261156446 QBOBTQPCIDWCRW-BTYIYWSLSA-N 396.491 3.263 0 1 GGAF COC(=O)N1CCc2c(OC)c3c(c4c2[C@@H]1Cc1cc(O)c(OC)cc1-4)OCO3 40412855 KVWMKVVFUVBYJR-ZDUSSCGKSA-N 399.399 3.027 0 1 GGAF biogenic O=C(Nc1nc2ccccc2n1CCN1CC[C@H](O)C1)c1ccc(Cl)cc1 299864777 MTTFTOLSXOKFQE-INIZCTEOSA-N 384.867 3.009 0 1 GGAF COc1ccc(Cc2cc3c(O)nc(O)nc3nc2C2(O)CCCCC2)cc1 587560770 KEAUTQVYDIQUKM-UHFFFAOYSA-N 381.432 3.187 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(c4ccc(N)cc4C(=O)c4ccc(N)cc41)[C@@H](C2)C3=O 587433644 SQOURNVJPIXMKW-YADARESESA-N 398.418 3.095 0 1 GGAF Cc1cnc(Cl)c2[nH]c([C@H](CC(=O)O)NC(=O)OCc3ccccc3)nc12 587202139 FVXZLBUHIVSKME-LBPRGKRZSA-N 388.811 3.362 0 1 GGAF COC(=O)COc1ccc([C@@]2(C)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1 963637476 SIKFLGYNPGMBRH-RCDICMHDSA-N 385.460 3.053 0 1 GGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2coc3ccccc3c2=O)N1 962977389 PGEGQLDSGQMXKH-GUYCJALGSA-N 391.757 3.413 0 1 GGAF COc1ccc(OC)c(CC(=O)N[C@@H](C)c2cnn(-c3ccccn3)c2C)c1 12318733 YIYFQDXFCDMFFB-AWEZNQCLSA-N 380.448 3.013 0 1 GGAF COc1ccccc1N1CCN(CCCCn2cnc3ccccc3c2=O)CC1 13839373 QDTSODNKOSJEPX-UHFFFAOYSA-N 392.503 3.008 0 1 GGAF Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(C)(C)CO 205608368 HHAIOVUCMMRAIS-UHFFFAOYSA-N 389.402 3.001 0 1 GGAF O=C(N[C@H](C(=O)NCc1ccncc1)c1ccccc1)c1ccc2ccccc2n1 1857541339 XNYGUJDRCNYIPE-QFIPXVFZSA-N 396.450 3.417 0 1 GGAF O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccc(-c2ccccc2)cc1 1857560000 ZAVHYYCSZQXPFV-UHFFFAOYSA-N 378.409 3.038 0 1 GGAF CCc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)C[C@]3(O)CC 840839 RTGGYXAOZKQTAX-HSZRJFAPSA-N 390.439 3.032 0 1 GGAF COc1ccc(CNc2nc3nc(-c4ccccc4)cc(O)n3n2)cc1OC 8578996 OLTHFAKPLBKOGZ-UHFFFAOYSA-N 377.404 3.126 0 1 GGAF CC=C(C)C(=O)OCC(=CC)C(=O)OCC=Cc1cc(OC)c2c(c1)OCO2 2356606144 FHPUFLKSIYHWOR-UHFFFAOYSA-N 388.416 3.436 0 1 GGAF CC[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)[C@]12C(=O)NC(=O)N=C2O 28128714 QBWALRVIJDSECI-CYBMUJFWSA-N 393.399 3.187 0 1 GGAF Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCC3CC3)cc2F)cn1 212150558 VGFCPHNAWOEYKX-UHFFFAOYSA-N 398.463 3.220 0 1 GGAF C[C@H](CO)[C@H]1CC[C@H]2/C(=C/[C@H]3C4=C(CC[C@H](O)C4)CS3(=O)=O)CCC[C@@]21C 38791534 ZMPGFJMASMWZRK-ZKIFBEHHSA-N 394.577 3.396 0 1 GGAF O=C([C@H]1CCCO1)N1CCN(Cc2coc(-c3cccc4ccccc34)n2)CC1 72182897 WUDMZKDJCPYJKT-OAQYLSRUSA-N 391.471 3.318 0 1 GGAF CC[C@H](c1ccc(F)cc1)n1cc(C(=O)NCCCN2CCC(C)CC2)nn1 45320650 BGEDVDRUMIITAW-HXUWFJFHSA-N 387.503 3.268 0 1 GGAF CCOC[C@@]1(CN2CCCCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O 49032719 GPUMQWDWNBSHCU-QFIPXVFZSA-N 385.460 3.185 0 1 GGAF O=C(CCO)Nc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1 45320488 FXDKQYLSAJPEQV-UHFFFAOYSA-N 399.454 3.427 0 1 GGAF Cc1cc(C)nc(NC(=S)N2CCN(c3ccc4nsnc4c3)CC2)c1 198796945 QWYWIMLLEUVUQK-UHFFFAOYSA-N 384.534 3.222 0 1 GGAF CCOP(=O)(OCC)[C@@H]1C[C@@H](n2cc(-c3cccc(F)c3)nn2)ON1C 82153864 NIFRGMHNNDSOML-JKSUJKDBSA-N 384.348 3.442 0 1 GGAF Nc1ncc(-c2ccc(CN3CCOCC3)cc2)cc1-c1nnc(C2CC2)o1 142820906 VQOHGDAJYZQILI-UHFFFAOYSA-N 377.448 3.090 0 1 GGAF CCCC[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@@H](C)/C(=C6\OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 263636274 DTVYAHOULQCSMS-KKQOVYDBSA-N 387.476 3.090 0 1 GGAF COc1cc(OC)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1 299839846 ZRCZZPPDWCVIOL-UHFFFAOYSA-N 390.487 3.425 0 1 GGAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(S)nc(S)nc4[nH]3)cc2N1 587125049 PAQQZSDHLLZQQA-NJGYIYPDSA-N 387.416 3.101 0 1 GGAF COC(=O)C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586234 JMQNOYSHZIDKAP-KNQAVFIVSA-N 391.379 3.207 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnn2-c2ncccn2)N1 587758381 IRCYCGPSKJXXNF-HWPZZCPQSA-N 388.244 3.188 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1nc[nH]n1)c1cccs1 587609024 AXUWVNVRDJQEEC-OXJNMPFZSA-N 391.408 3.477 0 1 GGAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CC(=O)OC3(C)C)nc2c1 586906044 HDYCREMPYVYOLG-SECBINFHSA-N 381.226 3.311 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1nnn(-c4ccc(F)cc4)c1C)[C@@H](C2)C3=O 587428080 LZIJATSIRHRTHM-KKSFZXQISA-N 379.391 3.386 0 1 GGAF CCN1C(=O)C[C@@H](c2nc3c(C(=O)OC)ccnc3[nH]2)[C@@H]1c1ccccc1Cl 587061559 NFWAFJPRWCTAPD-DYVFJYSZSA-N 398.850 3.475 0 1 GGAF COc1cccc(-c2cccc(-n3c(O)cc([C@H](CC(=O)O)C(=O)O)c3O)c2)c1 587936381 COAQEBLXAQNSPI-KRWDZBQOSA-N 397.383 3.207 0 1 GGAF CCOC(=O)CCC(=O)Nc1c(C(C)(C)C)[nH]c2ccc(S(C)(=O)=O)cc12 587650474 LUJUFZGECZPBKH-UHFFFAOYSA-N 394.493 3.151 0 1 GGAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cnncc4[nH]3)CC2)cc1 586955578 RKTIHPSPAUOLGE-UHFFFAOYSA-N 385.493 3.045 0 1 GGAF C/C(=C/c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)C1CCCCC1 587967408 JPYLMNTUGPGXMS-ICFOKQHNSA-N 396.535 3.297 0 1 GGAF COc1ccc(C2(c3nc4ccc(S(N)(=O)=O)cc4[nH]3)CC3(CCC3)C2)cc1 587935491 MIEUCJCVKDYTSD-UHFFFAOYSA-N 397.500 3.469 0 1 GGAF CN1CCc2cnn(C)c2[C@@]1(c1ccc(F)cc1)c1ccc(C2OCCO2)cc1 963956066 UPSMPGOUMXHWAV-QHCPKHFHSA-N 393.462 3.384 0 1 GGAF C[C@@]1(CC(=O)c2ccccc2O)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963236948 SWZLBAPDNVEVCU-AVRDEDQJSA-N 376.412 3.028 0 1 GGAF COc1ccccc1[C@@]1(c2ccnc(C)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962897596 KYZKGALZIQOSLA-WMZHIEFXSA-N 392.430 3.429 0 1 GGAF Cn1cncc1CNC(=O)Cc1ccc(-c2cccc(C3CCNCC3)c2)cc1 1772601437 KEOYXGXMXFTECF-UHFFFAOYSA-N 388.515 3.413 0 1 GGAF CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)cc21 15941703 LTPVBTXVQWEYSE-ZENOOKHLSA-N 382.551 3.391 0 1 GGAF O=C(O)c1cccc(-n2c(/C=C/c3cccnc3O)nc3ccccc3c2=O)c1 1857543785 BDJBXXZYGYALAX-ZHACJKMWSA-N 385.379 3.355 0 1 GGAF CCCCOc1ccc(=Nc2nc([C@H](N)COCc3ccccc3)cs2)[nH]n1 1857549725 LVDWNGQMGCVQNE-MRXNPFEDSA-N 399.520 3.494 0 1 GGAF CC1=C(C(=O)OC(C(F)(F)F)C(F)(F)F)[C@@H](c2ccsc2)NC(=O)N1 1857592826 RJIZGZFPNVUVSE-MRVPVSSYSA-N 388.289 3.412 0 1 GGAF COc1ccc(NC(=S)N2CCN(C(=O)Cc3ccccc3)C[C@@H]2C)cc1 1857601933 UCMMQAJETVAATD-INIZCTEOSA-N 383.517 3.167 0 1 GGAF N[C@@H](Cc1ccccc1)C(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1O 103178679 DECSNBYUZUMYEQ-CKDFRHGISA-N 391.427 3.146 0 1 GGAF COc1cc(-c2nc(C(N)=O)c(C)nc2C)ccc1-c1ccc(CC(=O)O)cc1 103298689 SDWWBFJULIZXMB-UHFFFAOYSA-N 391.427 3.162 0 1 GGAF CO[C@@H]1OC[C@@]23[C@@H]1CCC[C@H]2[C@@]1(C[C@H](c2ccoc2)OC1=O)[C@@H](C)C[C@H]3O 2356415417 KVKRTHRXHVCLRA-AHTCUCGFSA-N 376.449 3.060 0 1 GGAF C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@@H]2[C@@H]1CC[C@H]2CCC[C@H]2N1 2356431860 HODLMSIRHTYEFG-DEBOYCKPSA-N 378.516 3.081 0 1 GGAF Cc1c(CC(=O)O)c2ccc(Cl)nc2n1Cc1ccc(S(C)(=O)=O)cc1 38268055 GNWMYJHVDPIOAC-UHFFFAOYSA-N 392.864 3.077 0 1 GGAF O=C(CCc1nnc(C2CCCCC2)o1)N1CCN(Cc2ccccc2)CC1 36385570 GJUVRFLMOWODMF-UHFFFAOYSA-N 382.508 3.394 0 3 GGAF NC1=N[C@](CF)(c2cc(Oc3cnccn3)ccc2F)C[C@@H](C(F)(F)F)O1 218663125 RCRIODLOKFVBKZ-SWLSCSKDSA-N 388.296 3.239 0 1 GGAF CC(=O)NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72101958 MBEIZNDGBZMXCT-GOSISDBHSA-N 378.398 3.185 0 1 GGAF COc1cc2nc(NCCCCO)nc(NCCCOC(C)C)c2cc1OC 82137185 OVGUMIQUNIAXAU-UHFFFAOYSA-N 392.500 3.058 0 1 GGAF CCCCc1ccc2c(c1)C[C@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 84690333 XMDAQMWILNVNIT-GCJKJVERSA-N 392.499 3.367 0 1 GGAF O=C(NCCCc1ccc(Cl)c(Cl)c1)C1=C(O)C(=O)N(C2CCC2)C1 141961440 JBDXIHDMSIVDNR-UHFFFAOYSA-N 383.275 3.249 0 1 GGAF C=C1C[C@@](C)(c2cc(NC(=O)c3ccc(C#N)cn3)cnc2Cl)N=C(N)S1 147032394 MFNJXWNDOOLUSR-SFHVURJKSA-N 398.879 3.434 0 1 GGAF CC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 95873942 ZFJSDRDQKLPFMQ-HJOGWXRNSA-N 378.516 3.433 0 1 GGAF Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5cc(C)c(C)cc54)[C@H]3N2C)o1 254121105 YUJOHWVYKAPKFZ-XPGWFJOJSA-N 378.476 3.246 0 3 GGAF COc1ccccc1NC(=O)c1c(NCCO)cc(-c2cccs2)oc1=O 473154547 IJVUMXOWPCKLMA-UHFFFAOYSA-N 386.429 3.033 0 1 GGAF O=C(c1ccc(-n2cccn2)cc1)c1c(CO)oc2cc(Br)cnc12 587276268 LAFVHTRNHHNARP-UHFFFAOYSA-N 398.216 3.499 0 1 GGAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(NC(C)=O)cc1)[C@@H](C2)C3=O 587433999 YWXCUXSQCXRUBG-JTSKRJEESA-N 395.411 3.161 0 1 GGAF CCOC(=O)CSC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608764 SQAZWMMINFCDRH-FXAWDEMLSA-N 388.441 3.409 0 1 GGAF COc1cc2nc(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)[nH]c2cc1OC 587226651 WQESZYCNVXLTNV-UHFFFAOYSA-N 399.447 3.159 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CC(=O)O)nc1-c1ccccc1)O2 587389695 CHJNRHPQBFXGTL-SFHVURJKSA-N 377.400 3.232 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(C(=O)C1CC1)CC2 587581371 HFBIXVPGGWPMQJ-SFHVURJKSA-N 379.412 3.125 0 1 GGAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccnc(Cl)c4[nH]3)n2)cc1 587113390 RERPNUJLGDNNCO-UHFFFAOYSA-N 379.733 3.332 0 1 GGAF C[C@H]1c2ccccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)CN1CCOCC1 1772652641 FBDJXMGCCIXNOE-UXHICEINSA-N 393.531 3.317 0 1 GGAF COc1cc(C[C@@H]2C[C@H]2C(=O)O)c(Br)c(Br)c1OC 1772620765 YKKJXISLEKOFOH-HTRCEHHLSA-N 394.059 3.492 0 1 GGAF CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1-n1cccc1 5844821 NXVHCZJEXTYRTI-UHFFFAOYSA-N 378.837 3.346 0 1 GGAF C[C@]1(O)OC(=O)C(c2ccc3ccccc3c2)=C1c1ccc(S(C)(=O)=O)cc1 12352432 CHUNHRFIWQZFCI-QFIPXVFZSA-N 394.448 3.419 0 1 GGAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)nc1 13588338 QOFWVSLHQWUEEX-UHFFFAOYSA-N 385.342 3.496 0 1 GGAF O=C(O)C[C@H]1C(=O)N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 13601299 MTVDIOCXHVILPT-OAHLLOKOSA-N 377.318 3.446 0 1 GGAF COC(=O)c1cc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cc(NC(=O)c2ccco2)c1 14955138 XLOQNNCRYKKEIL-QIIPPGSGSA-N 394.427 3.147 0 1 GGAF COc1cc2c(cc1OC)[C@@H]1O[C@@H](OC)c3c(ccc4c3OCO4)[C@@H]1NCC2 15257529 JEUAVYPZVKRQOZ-IRFCIJBXSA-N 385.416 3.036 0 1 GGAF endogenous,in-man N[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cncc(F)c5)cc34)n2)C1 205257549 BVCAGJZNPVSGFU-HNNXBMFYSA-N 389.438 3.149 0 1 GGAF C[C@H]1C(=O)N(C)c2ccc(C(=O)N3CCc4cc(F)ccc43)cc2N1C1CC1 1857762700 XPFIWQGXXSLATO-ZDUSSCGKSA-N 379.435 3.362 0 1 GGAF O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4051631 CNVWIPAUAMJMCG-ONTIZHBOSA-N 390.439 3.091 0 1 GGAF Cc1cccc(C)c1NC(=O)C[S@@](=O)CC(=O)N[C@H]1CCCc2ccccc21 4906691 HPYIOVGICBOHBE-HMILPKGGSA-N 398.528 3.184 0 3 GGAF Cc1c(Cl)cccc1-n1nc(C)c2c(C)cc(=O)n(CC(=O)NC(C)C)c21 6916246 SOSPCMVQHPUESF-UHFFFAOYSA-N 386.883 3.290 0 1 GGAF C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C3CC3)c2n1)c1ncc(F)cn1 103260216 MXIBMXWJAOYHPZ-NSHDSACASA-N 393.430 3.346 0 1 GGAF CC(C)CN1C[C@@H](COCc2ccccc2)Oc2ccccc2S1(=O)=O 61944824 DDIKUQZUDVHORZ-SFHVURJKSA-N 375.490 3.311 0 3 GGAF CN(CCCSc1ccccc1)C[C@@H](O)COc1ccc2[nH]c(=O)ccc2c1 27109721 SBWSXHSGPYASPR-GOSISDBHSA-N 398.528 3.382 0 1 GGAF Cc1nc(C2CCCC2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNC2CCOCC2)n1 2356852678 QSFXAQOYCNIYAD-CEWLAPEOSA-N 384.568 3.389 0 1 GGAF CC(C)(C)NC(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72102952 DQQNJIXUYNFNKE-GOSISDBHSA-N 387.915 3.345 0 1 GGAF Cc1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)sn1 211037124 XDZHNVNYIFINOV-HNNXBMFYSA-N 391.504 3.175 0 1 GGAF Fc1ccc(Br)c(OC2CCN(c3ncnc4[nH]cnc34)CC2)c1 72123079 JQTZFZMMDQGUIA-UHFFFAOYSA-N 392.232 3.302 0 1 GGAF Nc1[nH]nc2nc(N3CCCCCC3)c3c(c12)CCN(Cc1ccccc1)C3 49112236 XHISSIJKGVHSNQ-UHFFFAOYSA-N 376.508 3.479 0 1 GGAF Cc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCC(O)CC4)c3)cc12 45337786 ABWJCBCLQVQYDU-UHFFFAOYSA-N 392.455 3.012 0 1 GGAF CCOC(=O)c1cn(Cc2ccc(OC)cc2)c2c(OC)ccc(F)c2c1=O 96906851 VCDCCFVUFYWOOL-UHFFFAOYSA-N 385.391 3.383 0 1 GGAF O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@H]2C[C@@H]3C[C@@H]3C2)cc1F 261098775 FWELSPUFIZEVIM-UBSAEIQESA-N 393.480 3.350 0 1 GGAF CCOC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc12 299832546 JJENTLBDQVZIJS-UHFFFAOYSA-N 392.375 3.205 0 1 GGAF CSc1ncc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(=N)[nH]1 587845102 MVYQMWMVCNTJJC-BCTVWOGZSA-N 397.317 3.310 0 1 GGAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc3c(cc12)OCCO3 587528209 YAQSYFANIGFMGK-JOCHJYFZSA-N 377.396 3.149 0 1 GGAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)cc2N1 587125221 RAPUBDKWSLEGJF-OTYXRUKQSA-N 392.385 3.436 0 1 GGAF CCOC(=O)C[C@]1(CCOC)N[C@H](C)Cc2ccc(F)c(Br)c21 587791309 HGAGBQMNFIBYSW-DIFFPNOSSA-N 388.277 3.307 0 1 GGAF O=C1Nc2ccccc2C2=NC[C@@H](CN3CCN(c4ccccc4Cl)CC3)N12 13832333 PPBJEYHYARRYRS-HNNXBMFYSA-N 395.894 3.139 0 1 GGAF CN1C(=O)[C@]2(N=C1N)c1cc(Br)ccc1CC21CCC(F)(F)CC1 201235948 HKTWXQDTMGXMMH-QGZVFWFLSA-N 398.251 3.183 0 1 GGAF C[C@H](C(=O)NOCc1ccccc1)N1C(=O)S/C(=C\c2ccccc2)C1=O 1857546352 HQKJFRPWFOLKNJ-MTOJCTJASA-N 382.441 3.359 0 1 GGAF COc1ccc(-c2cncc3ccc(C(=O)NCCCn4ccnc4)nc23)cc1 1739875 HZXZTAAZILWOMG-UHFFFAOYSA-N 387.443 3.322 0 1 GGAF CN(C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)C1CCCCC1 3778306 RBJPQMVNZAIYKC-UHFFFAOYSA-N 382.464 3.355 0 1 GGAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)OCCc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 100728618 WSTBUYSFCXEAIP-YSFYHYPLSA-N 393.483 3.481 0 1 GGAF O=C(NCCCCN1C[C@H]2CC[C@@H]1C2)c1ccc([123I])cc1 101434448 FLTWPLPSPPBJFQ-LRVFYWGKSA-N 394.290 3.286 0 1 GGAF Nc1nccn2c1c(-c1ccc(O[C@@H]3CCCCO3)cc1)nc2[C@H]1C[C@@H](O)C1 100618449 BCBZMCJUHJMXOO-BFYDXBDKSA-N 380.448 3.122 0 1 GGAF COc1ccc(-[n+]2noc(O)c2CNc2ccc(Br)cc2)cc1 103172879 JTXHBFNZAZAKSM-UHFFFAOYSA-O 377.218 3.040 0 1 GGAF COc1ccc([C@@H]2[C@H](C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1OC 66259196 QCECQIBLQLWIIR-BUXKBTBVSA-N 387.432 3.454 0 1 GGAF CCCCCC[C@H](O)C=CC(=O)O[C@@H]1[C@H](C)O[C@]2(C)C=C(C)C(=O)O[C@@H]2[C@@H]1C 2356790706 FWQVNLMGFQLRJO-KILHLHOTSA-N 394.508 3.471 0 1 GGAF CC1=C[C@H](C[C@@]2(C)O[C@H]2COc2c3ccoc3cc3oc(=O)ccc23)OC1=O 13360948 RJCCYQUNRFJCPC-LGZJRCCHSA-N 382.368 3.337 0 1 GGAF biogenic COc1cccc(NC(=S)N2CCN(c3cccc(C(F)(F)F)n3)CC2)n1 198796983 KFJRJSBIKDNSHO-UHFFFAOYSA-N 397.426 3.023 0 1 GGAF Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2ccc(C3CC3)n2)n1 143069182 LHJJYOBPERUMEO-UHFFFAOYSA-N 385.475 3.339 0 1 GGAF CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3cccc(Cl)c3)cc2)CC1 96172311 QRTVAIJFABJRNA-RTWAWAEBSA-N 383.923 3.227 0 1 GGAF COc1ccc(CN2C(=O)CC[C@@]2(C)c2nnnn2-c2c(C)cccc2C)cc1 95599701 HBFDEWKWBGMFOH-QFIPXVFZSA-N 391.475 3.326 0 3 GGAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]1CN(C)C(C)=O 95895088 QBCIKSKNBAWUBS-QZNHQXDQSA-N 398.478 3.036 0 1 GGAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)CN)CC[C@@]43C)[C@@H]1Cc1snnc12 653709019 KEFPZPAECBCRPQ-NDNATOTNSA-N 389.565 3.465 0 1 GGAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccco1 653859597 PMWKMDIQIPZFNE-UHFFFAOYSA-N 376.796 3.161 0 1 GGAF O=C(O)CCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518518 KEZVXLWIYCVEBD-QHCPKHFHSA-N 391.423 3.247 0 1 GGAF COc1ccc2c(n1)NCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592906 IGCGBNHCIICZRC-AVRDEDQJSA-N 390.395 3.469 0 1 GGAF COC(=O)c1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cn1 587017864 RNAHESDAQQXBCZ-UHFFFAOYSA-N 378.413 3.470 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587439675 MGPCWFCKLGOJMZ-ZSEKCTLFSA-N 376.368 3.303 0 1 GGAF O=C1COc2cc3[nH]c([C@@H]4CCCN4C(=O)Nc4ccc(F)cc4)nc3cc2N1 587167219 INYGHMKEFLLROI-INIZCTEOSA-N 395.394 3.402 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(CN(Cc4ccccc4)C(=O)C14CC4)[C@@H](C2)C3=O 587439917 XOATYXPIFUWOAX-SBUREZEXSA-N 375.424 3.004 0 1 GGAF COc1cccc2cc3c(nc12)[C@@](C)(c1ccc2c(c1)NC(=O)[C@@H](C)O2)NCC3 963060331 SHFDNBLWKUZLNY-JCQPUDPBSA-N 389.455 3.372 0 1 GGAF C[C@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)N[C@H](C(=O)O)Cc1cccc(F)c12 962926583 XQZJNKSDJPBKOO-LCMPSIMXSA-N 378.444 3.039 0 1 GGAF Cn1cccc1CN1CCc2sccc2[C@@H]1[C@H]1COC(C)(C)N1C(=O)O 962400335 UNHVFMYJLXCWKE-NVXWUHKLSA-N 375.494 3.301 0 1 GGAF COc1ccc(Br)cc1[C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962915251 UUHZJBXAPVFPFA-HOCLYGCPSA-N 380.213 3.285 0 1 GGAF CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(N3CCCC3)cc2C1=O 13781501 BCOWBMDVBZPNTD-UHFFFAOYSA-N 382.464 3.013 0 1 GGAF O[C@@H](Cc1cccc(Br)c1)CN1CCN(c2ccccc2)CC1 13824023 BHBJSXWPIOTVGL-IBGZPJMESA-N 375.310 3.175 0 1 GGAF CCCn1c(=O)c2[nH]c([C@@H](c3ccc(F)cc3)C3CC3)nc2n(CCC)c1=O 13861090 GDGUEXHQRZLZNJ-MRXNPFEDSA-N 384.455 3.387 0 1 GGAF Cc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3F)cc2)no1 201489948 WKKGSCFOPFTRQW-UHFFFAOYSA-N 375.381 3.175 0 3 GGAF Cc1cc(=O)n(CC(=O)NC2CCCCC2)c2c1c(C)nn2-c1cccc(F)c1 6916350 SJALMJWAVIELEO-UHFFFAOYSA-N 396.466 3.392 0 1 GGAF Cc1[nH]n(-c2ccccc2)c2nc(=O)c(CNc3ccc4c(c3)OCCO4)cc1-2 103961565 UBAAJTRJWSBTEB-UHFFFAOYSA-N 388.427 3.357 0 3 GGAF C[C@]1(c2cccc(NC(=O)c3ccc(Br)cc3)c2)COCC(N)=N1 113656629 OSXUMSQYXNHEJV-GOSISDBHSA-N 388.265 3.304 0 1 GGAF COc1cccc(N2CCN(C[C@@H](O)c3ccc(Br)cc3)CC2)c1 103464951 CWZALOIEIACJHL-LJQANCHMSA-N 391.309 3.313 0 1 GGAF CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1 63298390 PTSWSUSIGQQZOO-UHFFFAOYSA-N 392.438 3.423 0 1 GGAF COc1ccc([C@@]2(O)c3c(ccc4c3OC(C)(C)C=C4)NC(=O)[C@@H]2OC)cc1 2356848882 PJPKEOASXRGMDD-SIKLNZKXSA-N 381.428 3.082 0 1 GGAF COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NCc3ccccc3)C2)cc1OC 35312902 DKQDNYWDNDVWQX-QGZVFWFLSA-N 397.475 3.264 0 1 GGAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1nc(CO)[nH]c1C 219105071 KTMLGXKEMUPLFA-UHFFFAOYSA-N 386.455 3.297 0 1 GGAF CN1CCN(c2ccc(-c3cc(-c4c[nH]nc4-c4ccccn4)ccn3)cn2)CC1 72118289 BVWNOAMYVMKTGC-UHFFFAOYSA-N 397.486 3.348 0 1 GGAF COc1ccc(N2C(=O)O[C@H](Cc3ccc(O)c(Br)c3)C2=O)cc1 82157963 HMPYSWFCBXLAPI-OAHLLOKOSA-N 392.205 3.258 0 1 GGAF CCC(=O)NC[C@@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1C(=O)CC 95895364 YMMVOAVOSHGORU-QTEQDKRBSA-N 398.478 3.084 0 1 GGAF NC(=O)c1ccc(N[C@@H]2CNCC[C@@H]2c2ccc(Cl)c(F)c2)c2cncnc12 143734111 NSHZNQHXFGNGRZ-KZULUSFZSA-N 399.857 3.079 0 1 GGAF O=C(O)[C@H]1CCN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 143488935 JKJOCKUIDIZEAJ-HXPMCKFVSA-N 391.345 3.012 0 1 GGAF CC(C)n1nc(-c2cnc(N)c(C(F)F)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21 148076510 GQKOMGVEKYHZII-HWWDLCQESA-N 389.450 3.090 0 1 GGAF COc1ccc(-c2coc3c(OC)c(OC)c(OC)c(O)c3c2=O)cc1OC 238789277 VTKIRUUSYWYDBM-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF CCC(=O)N1[C@H](CO)[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CN(C)C(C)=O 95895063 GMLSJYXNUSREQD-XJUOHMSHSA-N 384.520 3.188 0 1 GGAF CN1CCN(c2ccc3nc(Nc4ccc(Br)cn4)[nH]c3c2)CC1 299833734 WFMXQZLKABRSKQ-UHFFFAOYSA-N 387.285 3.216 0 1 GGAF O=S(=O)(c1ccc(OC2CCCC2)cc1)N1CCC[C@@H](Cn2ccnc2)C1 653912926 ZRCRTKJDNGKBTN-KRWDZBQOSA-N 389.521 3.305 0 1 GGAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)s1 587023599 RECYMBQLYPGPIB-UHFFFAOYSA-N 384.425 3.009 0 1 GGAF CCOC(=O)[C@@H]1CSC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587859642 YAGSDLYNQJTJTD-RCAYSMOQSA-N 388.302 3.244 0 1 GGAF CN(C)C(=O)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587006592 IPHMHMBGTORBDS-UHFFFAOYSA-N 384.237 3.342 0 1 GGAF COC(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2n1 587042446 JUNKSHKULCHRJT-CYBMUJFWSA-N 388.836 3.053 0 1 GGAF CSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(=N)[nH]1 587611084 FFEFLJBGWYJECI-YOEHRIQHSA-N 381.413 3.020 0 1 GGAF O=S(=O)(NCc1nc2cccc(F)c2[nH]1)c1ccc(Br)s1 586943273 YEIRMXNWWAWNSZ-UHFFFAOYSA-N 390.259 3.005 0 1 GGAF CCOc1ccc2[nH]c(=O)c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2c1 587436306 NEHBIUCEDFMBPU-VFNWGFHPSA-N 377.396 3.424 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(N)c(N)cc3[nH]2)cc1 587040771 BNVUCCQXQMAPED-KRWDZBQOSA-N 383.477 3.014 0 1 GGAF COc1cc(C[C@@]2(CCC(=O)N3CCCCCC3)CCC(=O)N2)ccc1F 12055388 CYVPMWYQOMAYRL-NRFANRHFSA-N 376.472 3.208 0 1 GGAF OCCNc1nccc(NCCCCNc2ccnc3cc(Cl)ccc23)n1 204920002 RCBZSSVNRIATKJ-UHFFFAOYSA-N 386.887 3.387 0 1 GGAF CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N(C)C)c1 4079799 YPDHQDRMJFXLJM-TZIWHRDSSA-N 381.476 3.331 0 1 GGAF CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O 4295000 JWAXXTVDUIEOLY-FGTMMUONSA-N 375.469 3.078 0 1 GGAF CC(=O)OC1=CC[C@H]2C(=C1)[C@@H]1c3cc(OC(C)=O)ccc3C[C@@H]2N2CCC[C@@H]12 101970423 RJEZRHZJLRFTJG-QGQQZZQASA-N 379.456 3.492 0 1 GGAF COC(=O)/C1=C\[C@@H]2O[C@@]2(C(C)C)CC/C(C(=O)OC)=C/CC[C@@H]2O[C@H]2CC1 101617784 WEANQMQJACYEMJ-LQNMALDTSA-N 378.465 3.100 0 1 GGAF CNC(=O)Nc1c(OCCCCN2CCCC2)c(OC)c2occc2c1OC 29400086 OCPDKJRBBZSQGR-UHFFFAOYSA-N 391.468 3.456 0 1 GGAF CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@H]2CC3C[C@@H]1CC(C(N)=O)(C3)C2 28882082 DMVIIJMQXBNBLF-XFVFRGDESA-N 390.911 3.294 0 1 GGAF CC(=O)OC[C@@H]1C[C@H](O)[C@]2(C)C(CO)=CCC[C@@H]2[C@@]1(C)CCC(C)=CC(=O)O 2356659486 FZSGZQGDNASVKA-HIHICTBBSA-N 394.508 3.083 0 1 GGAF 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377.352 3.277 0 1 GGAF CCOC(=O)Cc1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c1 586979396 YXMOAPGUTITSTD-UHFFFAOYSA-N 391.269 3.293 0 1 GGAF O=S(=O)(c1ccc(Cl)c(-c2nc3c(Cl)ccnc3[nH]2)c1)N1CCC1 586955759 MKGJBAAKFWIMCJ-UHFFFAOYSA-N 383.260 3.326 0 1 GGAF Cc1nn(C)c(N(C)C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583442 WIBGTAUZYJNKIE-XLIONFOSSA-N 379.416 3.203 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(C(=O)CCc3ccccc3)nc2c1 587954478 WQOJZKLHZNCVAL-UHFFFAOYSA-N 385.489 3.409 0 1 GGAF COCCN1C(=O)C[C@@]2(C=C1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587761783 WDEOUBKNCRXJSC-ADLMAVQZSA-N 397.288 3.100 0 1 GGAF CC(C)(C)OC(=O)N1CC[C@](F)([C@@]2(C)c3ccsc3CCN2C(N)=O)C1 962701295 ANRQVNZDYALFST-QZTJIDSGSA-N 383.489 3.249 0 1 GGAF CCOC(=O)Nc1ccsc1[C@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963526233 NYWPLJUOILBXJF-ZFWWWQNUSA-N 376.434 3.019 0 1 GGAF Cn1cncc1C(=O)N[C@H]1CC[C@H](N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)CC1 1772634398 XQXSSRQOHZAWDN-LNLFQRSKSA-N 396.491 3.433 0 1 GGAF Cc1ccc(S(=O)(=O)N(CCC(C)(C)c2ccccc2)CC(=O)O)cc1 5127501 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0 1 GGAF O=C1CSC[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)N1 587042273 CGYAPLRIMKFHBB-MRVPVSSYSA-N 380.189 3.248 0 1 GGAF CCOC(=O)Cc1c([C@H](C)O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989748 QCSIZDIEYOZXEO-NSHDSACASA-N 377.396 3.311 0 1 GGAF CCCc1c(O)ccc2c1O[C@](C)(CN1C(=O)c3ccccc3C1=O)CC2=O 587475376 LCBNWCHFPJPDQD-QFIPXVFZSA-N 379.412 3.365 0 1 GGAF O=c1ccc(-c2nc3c(O)ncnc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587056411 MPLQQVLWPVHNDY-UHFFFAOYSA-N 388.214 3.242 0 1 GGAF CCOC(=O)Cc1ccc2nc(Cc3nn(CC)cc3Br)[nH]c2c1 586999557 AZDSNWPYNCABTH-UHFFFAOYSA-N 391.269 3.238 0 1 GGAF COc1cc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ncn1 587589495 XCOVHYZRYXJWIK-GHTZIAJQSA-N 378.384 3.154 0 1 GGAF Cc1ccc(-c2nnc(SCc3nc4ccc(CCO)cc4[nH]3)n2C)cc1 586966016 ZECNZXMKAPGKAR-UHFFFAOYSA-N 379.489 3.494 0 1 GGAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 586951544 QHEVURDCYVJBQH-UHFFFAOYSA-N 378.266 3.068 0 1 GGAF COC(=O)c1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1OC 587040335 NEJOWRVEWNUFRK-LBPRGKRZSA-N 393.465 3.341 0 1 GGAF 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2356506893 RDBSDZCKXOOWMU-XYFBZNMDSA-N 390.476 3.208 0 1 GGAF Cc1nc(-c2cccs2)cc([C@@H]2CN3CC[C@H]2C[C@H]3CNC2CCOCC2)n1 2356834574 KCRDZSBFTTVRLG-YTQUADARSA-N 398.576 3.460 0 1 GGAF C[C@@]12C(=O)NCC(=O)N1C[C@@H](c1ccccc1Cl)c1c2[nH]c2ccccc12 2161184 BGUNXXDBZWTCMZ-LHSJRXKWSA-N 379.847 3.140 0 1 GGAF biogenic COc1ccc([C@@]2(c3cccc(-c4cccnc4)c3)NC(=N)N(C)C2=O)cc1F 35967803 YWRKDNPWZYLYMH-JOCHJYFZSA-N 390.418 3.136 0 1 GGAF C[C@H]1NC(=O)c2cc(-c3c(F)ccc4c(=O)n(C)c(NC5(C)CCC5)nc34)[nH]c21 222334219 XNTIENONSOGMRS-SNVBAGLBSA-N 395.438 3.227 0 1 GGAF CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 95874432 BBUYQEWTRUJGII-DNVJHFABSA-N 382.479 3.264 0 1 GGAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(CCC(F)(F)F)C23CN(C(C)=O)C3)cc1 95661977 QBBVDGDYCPTQTE-UYLIBMQOSA-N 382.426 3.033 0 1 GGAF COc1cccc(-c2cnn(C(C)(C)C(=O)NCc3ccccc3OC)c2)n1 618008039 DXNXFYWPOCYXSP-UHFFFAOYSA-N 380.448 3.014 0 1 GGAF CNC(=O)[C@H]1CCCN(C(=O)[C@@H](C)c2ccc(C(=O)c3cccs3)cc2)C1 621476452 ZFTCHLMKXOFDDE-YOEHRIQHSA-N 384.501 3.067 0 1 GGAF C=CC(=O)Nc1ccc(-c2nc3ncc(I)cc3[nH]2)cc1 587243395 FLCJRPUABGHRBT-UHFFFAOYSA-N 390.184 3.354 0 1 GGAF CNS(=O)(=O)c1cc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)n(C)c1 586947266 KXQBAZASLNHXGI-UHFFFAOYSA-N 390.412 3.088 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(F)cccc12 587737956 ILJKQCNMIUXXKA-RBHXEPJQSA-N 379.204 3.457 0 1 GGAF COc1cccc(-c2cc(O)n(-c3cnc(C)c(Br)n3)c2O)c1 587942347 WAVNMCWJABXFLA-UHFFFAOYSA-N 376.210 3.425 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCC(N)=O)c2)N1 587750921 VJSGBVJWAMBBTF-XTZNXHDOSA-N 393.256 3.076 0 1 GGAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3ccncc3[nH]2)cc1 586944831 XKYXYDCFYOJQHW-UHFFFAOYSA-N 384.486 3.207 0 1 GGAF CCOC(=O)C(=O)C[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599420 XHJWQIFXURXVNS-PGRDOPGGSA-N 398.411 3.271 0 1 GGAF COc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cc1Cl 586931915 PPPKPYKDMIFLOZ-UHFFFAOYSA-N 395.868 3.054 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3)nn3cc[nH]c(=O)c13)O2 587394856 KPKJLNWMNGBEOS-KRWDZBQOSA-N 386.411 3.287 0 1 GGAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)cc(C)c2[nH]1 586944254 IHMZTHMHGHPCSQ-UHFFFAOYSA-N 398.282 3.251 0 1 GGAF Cc1nn(C)c(SCC(=O)O)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587532540 NXBQAOGGMVSVIM-INIZCTEOSA-N 386.473 3.491 0 1 GGAF CCCN(C[C@H](O)Cn1c2ccc(F)cc2c2ccc(F)cc21)S(C)(=O)=O 149590154 XCASCDMRCHGEBW-HNNXBMFYSA-N 396.459 3.105 0 1 GGAF O=C(O)Cc1nn(Cc2nc(-c3ccccc3)cs2)c(=O)c2ccccc12 13449076 RRIWSZVDMOGZCC-UHFFFAOYSA-N 377.425 3.195 0 1 GGAF O=C(O)CCC/C=C\C[C@@H]1[C@H](/C=C/[C@@H](O)C2CCCCC2)[C@@H]2O[C@@H]1[C@@H]1O[C@H]21 169341712 BLPTUHHFIMEDBU-PEDZUIQLSA-N 376.493 3.466 0 1 GGAF C[C@H](N=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=N[C@@H](C)C2CC2)[nH]1)C1CC1 1857653605 KRSKURCJOGAEOS-QWRGUYRKSA-N 392.429 3.217 0 1 GGAF CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 2356377953 QRJOQYLXZPQQMX-SHTZSZBQSA-N 390.520 3.317 0 1 GGAF O=C(CN1CCCN(Cc2ccc(F)cc2Cl)C1=O)NCc1ccccc1 4143360 YDEYLPIOKFIQKY-UHFFFAOYSA-N 389.858 3.423 0 3 GGAF COc1cc(OC)cc([C@@H]2C3=C(Nc4cc5c(cc42)OCO5)[C@H](C)OC3=O)c1 101674463 SWBHLZQMOYJHKA-YPMLDQLKSA-N 381.384 3.189 0 1 GGAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(C[C@H]4CCCO4)cc3)c3c(N)nccn32)C1 100618814 MQXVSKQUGFTESU-YVHKJVDXSA-N 378.476 3.328 0 1 GGAF CCNc1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc3[nH]cnc23)c1 113151073 OLDNRQWVMHKZOL-UHFFFAOYSA-N 376.424 3.302 0 1 GGAF Cc1ccccc1C(=O)N[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](O)[C@H]1O 2356761620 RTZOLTWUYJZLTC-WNRNVDISSA-N 379.378 3.022 0 1 GGAF CCN(CC)CC(=O)Nc1ccc([C@@H]2NC(=O)C(C)(C)c3ccccc32)cc1 33823687 TWPRYSGEVCQCJL-NRFANRHFSA-N 379.504 3.464 0 1 GGAF Cc1ccc(CS(=O)(=O)c2sc(NC(=O)c3ccccn3)nc2C)cc1 198923330 QFRNZEQLGXIDMF-UHFFFAOYSA-N 387.486 3.381 0 1 GGAF O=C(c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccco1)N1CCCC1 82142518 ZJNIOUJOUYKAJM-UHFFFAOYSA-N 392.415 3.313 0 1 GGAF Cn1nc2c(c1-c1cncnc1)CCN(C(=O)c1cccc(Cl)c1Cl)C2 225998022 MOVGVPSRZPLOKK-UHFFFAOYSA-N 388.258 3.382 0 1 GGAF O[C@H](COc1ccc(C(F)(F)F)cc1)CN1CCN(c2ccc(F)cc2)CC1 95592817 MKGJNRZJXOPDCP-SFHVURJKSA-N 398.400 3.406 0 1 GGAF COc1cc(OC)cc(N2CCN(C(=S)Nc3cc(C)cc(C)n3)CC2)c1 95566912 CMKJKNOYSWLVPU-UHFFFAOYSA-N 386.521 3.235 0 1 GGAF COc1nc(-c2cc3c(OC)cccc3[nH]2)[nH]c(=NCCc2ccc(F)cc2)n1 473162679 HMJLTQAILXZLJQ-UHFFFAOYSA-N 393.422 3.253 0 1 GGAF COc1ccc([C@]2(CCn3cncn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587430391 DZKSIJNNBRVGCR-GCJKJVERSA-N 391.427 3.029 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\NC(=O)CS2)(C2CC2)N1 587858741 TVUVRPMKHANMPT-LZDVETDPSA-N 397.313 3.432 0 1 GGAF CCC(CC)NC(=O)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656038 UKMAFSLIUYGCBK-UHFFFAOYSA-N 399.397 3.287 0 1 GGAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586972190 DNSKNGRKRJKYBV-QGZVFWFLSA-N 396.472 3.004 0 1 GGAF COC(=O)c1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cn1 587167793 DXIZWBCIYIAMIZ-UHFFFAOYSA-N 378.367 3.009 0 1 GGAF COC(=O)Cn1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587758361 WTHZXICEJLSVCZ-BTDLBPIBSA-N 381.245 3.186 0 1 GGAF CCCN(CCN1C(=O)c2ccccc2C1=O)[C@@H]1COc2cccc(OC)c2C1 13737044 IWAURPBNJCOTMU-INIZCTEOSA-N 394.471 3.007 0 1 GGAF O=C(O)[C@H](CCCCn1cnc2c1NC=NC[C@H]2O)Cc1cccc(Cl)c1 13807311 ILCBREXWAFCKSC-GDBMZVCRSA-N 390.871 3.138 0 1 GGAF Oc1nc2c(c3nc(-c4cccc(F)c4)nn13)CN(Cc1ccccc1)CC2 13824550 WUKVSTGJOFKZNZ-UHFFFAOYSA-N 375.407 3.194 0 1 GGAF CN1CCN(C(=O)c2cc(COc3ccccc3)on2)[C@@H](c2ccccc2)C1 19607880 XBMHECAPNWZCQH-OAQYLSRUSA-N 377.444 3.383 0 3 GGAF COc1ccc(Nc2cc(-c3cccc(C(=O)O)c3)nn3ccnc23)nc1OC 204927084 LEXHYMPVHQZYKH-UHFFFAOYSA-N 391.387 3.250 0 1 GGAF Cc1nn(-c2ccccc2F)c2c1[C@@H](c1ccc(F)cc1)CS(=O)(=O)O2 1857582598 KUZUJHHUXPATNO-CQSZACIVSA-N 376.384 3.313 0 1 GGAF COc1cc(OC)c2c(=O)cc(C(=O)Nc3cccc(N4CCCC4)c3)[nH]c2c1 1857640120 BHBGRKDEJLNNOE-UHFFFAOYSA-N 393.443 3.398 0 1 GGAF COc1cc2c(-c3ccc4c(c3)OCO4)c3c(c(O)c2c(O)c1OC)COC3=O 2356407387 WMOWBRWREXGSAP-UHFFFAOYSA-N 396.351 3.334 0 1 GGAF F[C@H]1CN(Cc2cnc3ccccc3c2)C[C@@H]1OCc1nc2cnccc2[nH]1 2356300927 ZTVGMWWOPVJUGD-JXFKEZNVSA-N 377.423 3.245 0 1 GGAF CCC[C@H](OC)N1CCn2c(=O)n(-c3ccc(OC)cc3C)c3nc(C)cc1c32 28468506 IIBDTERBHZSLEV-IBGZPJMESA-N 396.491 3.405 0 1 GGAF CC[C@@H]1CN2C(=O)N(Cc3ccccc3)c3nc(-c4cc(C)n(C)n4)[nH]c3C2=N1 72107972 FVGHHSAQBICAFA-OAHLLOKOSA-N 389.463 3.100 0 1 GGAF O[C@H]1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)C1 215843143 SGFUUDAUBFRRPH-SFHVURJKSA-N 387.443 3.379 0 1 GGAF C[C@@H]1c2nnn(-c3cnccn3)c2CCN1C(=O)c1ccc(Cl)cc1Cl 225998968 WLMVEVHNUQPVEY-SNVBAGLBSA-N 389.246 3.124 0 1 GGAF COC(=O)N[C@H](C(=O)N(C)[C@@H](CN1CCCC1)c1ccccc1)c1ccccc1 40874618 MJGQBRUMQSZKOW-SFTDATJTSA-N 395.503 3.379 0 1 GGAF CN(Cc1cn2c(N3CCOCC3)cccc2n1)[C@@H]1CCCc2cccnc21 45260139 XLYHMIXFJBPMLF-LJQANCHMSA-N 377.492 3.075 0 1 GGAF O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc2[nH]cc(Br)c2c1 221870524 XFHGTCMLEBYPMZ-UHFFFAOYSA-N 383.209 3.363 0 1 GGAF CCC(=O)N(C)C[C@@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(C)=O 95570249 LFVZONGIIWXQAC-GIWBLDEGSA-N 398.478 3.036 0 1 GGAF COC[C@H]1[C@@H]2CC[C@H]1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2 253632907 JATQVZAOCJUHTI-MNZLEMJZSA-N 377.916 3.186 0 1 GGAF CSCC[C@H](Nc1ccnc2cc(Cl)ccc12)C(=O)N1CCN(C)CC1 299840063 VGKHVOULHAXSCB-KRWDZBQOSA-N 392.956 3.196 0 1 GGAF COc1ccc(C(=O)c2ccccc2-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1F 587144076 IEAGJYZSGSPYMY-UHFFFAOYSA-N 397.797 3.416 0 1 GGAF COc1nccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 586940018 YWISUTVUZDLCIS-CQSZACIVSA-N 394.884 3.296 0 1 GGAF CS(=O)(=O)[C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586993915 LUOLWCNEWVKCSZ-NSHDSACASA-N 379.437 3.054 0 1 GGAF COc1cc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c2cc1Cl 587023799 JGLYTYNRAAJGIL-UHFFFAOYSA-N 395.872 3.436 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnn2-c2ncccn2)N1 587758383 IRCYCGPSKJXXNF-MGPLVRAMSA-N 388.244 3.188 0 1 GGAF CCn1cc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587342741 PMFKZQUPWCGYLK-GHTZIAJQSA-N 396.374 3.087 0 1 GGAF COC(=O)c1ccnc2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc12 587041263 AXHDZJTWEJTDNG-LBPRGKRZSA-N 388.836 3.053 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(CCC(=O)OCC)CC2=O 587486095 YCQCYLHQWOUHLC-HXUWFJFHSA-N 378.421 3.257 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(N)=O)cc2)N1 587746903 IVCUUPCGOLIAAQ-MGNBDDOMSA-N 393.256 3.076 0 1 GGAF COc1cc([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c(OC)c(OC)n1 962573491 SCZSUEKXGBIZAL-KZULUSFZSA-N 388.464 3.090 0 1 GGAF CC(C)(C)OC(=O)NCCC[C@]1(C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963219374 DWHKBOUJALWROV-GCJKJVERSA-N 399.491 3.354 0 1 GGAF CC[C@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12NCCc1c2c(C(C)C)nn1C 962925251 YLOWMCRWWGMTLA-LHSJRXKWSA-N 390.528 3.078 0 1 GGAF O=C([C@@H]1Cc2ccccc2[C@@](c2ccccc2F)([C@@H]2CCNC2)N1)C(F)(F)F 962769607 SJQLXTYYMVFXTJ-HEFCMCLBSA-N 392.396 3.325 0 1 GGAF COC[C@@H]1CCCCN1C(=O)c1cc(COc2ccc3ncccc3c2)on1 11938335 FMPNDJVBSMJRSW-INIZCTEOSA-N 381.432 3.443 0 3 GGAF O=C(O)CC[C@@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cccn21 13781427 IDKAQALCVMXVGC-CQSZACIVSA-N 381.215 3.383 0 1 GGAF O=C1c2c(O)cccc2C(C(=O)Cc2ccc3c(c2)OCO3)c2cccc(O)c21 13862165 WNBYKEXFGZNOBE-UHFFFAOYSA-N 388.375 3.315 0 1 GGAF COc1ccc(-c2coc3c(C/C=C(\C)CO)c(O)cc(O)c3c2=O)cc1O 15251797 UCKSAYIMWMIZQJ-QDEBKDIKSA-N 384.384 3.067 0 1 GGAF endogenous,in-man Nc1ncc(-c2ccc(F)cc2)cc1NC(=O)c1ccnc(NC(=O)C2CC2)c1 1857592740 FBBLPWPZJDAUOH-UHFFFAOYSA-N 391.406 3.466 0 1 GGAF COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccncc3)o2)C[C@@H]1C(C)C 2356320824 OZXYOUUGHKRIEV-GBESFXJTSA-N 398.507 3.291 0 1 GGAF N[C@H](C(=O)N1CCCC1)C1CCC(NC(=O)c2cccc3ccccc23)CC1 3948046 OGWARBNUWZYESR-NGICGMGXSA-N 379.504 3.078 0 1 GGAF CCOC(=O)CNC(=O)c1cnc(Nc2ccccc2OC)c2ccccc12 4760854 YCHCXNWGOCRFTL-UHFFFAOYSA-N 379.416 3.280 0 3 GGAF COc1cc2oc(=O)cc(COC(=O)/C=C/c3ccc(N)cc3)c2cc1OC 26402988 RVDDSTIBFQPERT-VMPITWQZSA-N 381.384 3.149 0 1 GGAF CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1cc(O)c(COC)cc14)[C@@H]32 2356620182 IXPLJNPLQLSBQR-RJGXRXQPSA-N 396.487 3.073 0 1 GGAF NS(=O)(=O)c1ccc(Sc2ccccc2)c(C(=O)NCc2ccccc2)c1 49124658 HTNHJMAIMHUHEK-UHFFFAOYSA-N 398.509 3.415 0 1 GGAF Cc1ccc(NC(=S)OCCNC(=O)c2ccccc2C(=O)O)cc1Cl 40939378 HFVSBVYTPRELTC-UHFFFAOYSA-N 392.864 3.490 0 1 GGAF COc1cc(NCCN)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1 84618356 XDMIBIMJQCBSDR-UHFFFAOYSA-N 399.520 3.474 0 1 GGAF COCc1cn(C2=NCC(=O)N3CCc4c(C5=CCCC5)cccc4C3=C2)cn1 149301609 GANCFFDZYNZRLX-UHFFFAOYSA-N 388.471 3.283 0 1 GGAF CCOC(=O)CCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21 299838588 QQLHCVLMFUXEJC-UHFFFAOYSA-N 399.491 3.048 0 1 GGAF O=C(O)c1cc(S(=O)(=O)NCc2cccc(Cl)c2)c2ccccc2c1O 653731191 CDPRUQXLZPEQSD-UHFFFAOYSA-N 391.832 3.376 0 1 GGAF CCOC(=O)[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587797991 NIZNRAPRTQJDKJ-LGAXPXOHSA-N 386.261 3.106 0 1 GGAF COC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1C 587575916 GWHXBMVKQIJCEX-XMSQKQJNSA-N 393.395 3.394 0 1 GGAF COC(=O)C1=CN(C)C(C)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587758321 IMQSTEBTAMTFNW-XTZNXHDOSA-N 395.272 3.224 0 1 GGAF c1ccc(C[C@@H]2N[C@H](c3nc4ccc(CN5CCOCC5)cc4[nH]3)CS2)cc1 587040907 JKUPRANWAIUVLY-LEWJYISDSA-N 394.544 3.341 0 1 GGAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)cc1 587785136 MCBHAXGYVLPTOP-ROUUACIJSA-N 379.460 3.447 0 1 GGAF COc1ccccc1-c1nc2nc(O)nc(O)c2cc1[C@@H]1CCC[C@H]1C(=O)O 587559942 QDWDMWDTHCPWSX-GHMZBOCLSA-N 381.388 3.080 0 1 GGAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(O)c2[nH]1 586935388 GUQWCJHDBVXGLG-CQSZACIVSA-N 377.491 3.041 0 1 GGAF CCS(=O)(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 587076816 UOZKEYGLMOFXKS-UHFFFAOYSA-N 387.852 3.258 0 1 GGAF COC(C)(OC)[C@@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570972 KENNUIDLHBDPMQ-PEEVUVLRSA-N 399.443 3.177 0 1 GGAF Nc1cccc(-c2nc([C@@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)co2)c1 963230203 LWMOLPSKWOZANA-UYAOXDASSA-N 386.411 3.160 0 1 GGAF O=C(N1CCCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc21 13745311 KNUBLIHELSAASX-UHFFFAOYSA-N 394.410 3.475 0 1 GGAF NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCc1ccc(N)cc1-2 150248631 HBYGGMUOSOMVLT-UHFFFAOYSA-N 383.249 3.082 0 1 GGAF COc1cc([C@H]2/C(=C(\O)OC(C)C)C(C)=Nc3ncnn32)cc(OC)c1OC 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COc1cccc(NCCNCCN2C(=O)c3cccc4cccc(c34)C2=O)c1 96928006 QCEHMZRQICLKIF-UHFFFAOYSA-N 389.455 3.146 0 1 GGAF COc1ccccc1-c1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)C1CC1)[C@@H](CO)N2 95877423 OAOJJUGVVMEONK-WEYGHZABSA-N 378.472 3.448 0 1 GGAF CC(=O)O[C@@H]1C[C@@]23C(=C1C)[C@H](OC(C)=O)[C@@H](C[C@@H](OC(C)=O)[C@H]2C)C3(C)C 257470991 LCYMMMXHRHJXJB-GADOPNESSA-N 378.465 3.184 0 1 GGAF endogenous,in-man CS(=O)(=O)c1ccc2[nH]c(-c3ccccn3)c(C(=O)c3ccccn3)c2c1 587650659 BBTMXEQQLJEODI-UHFFFAOYSA-N 377.425 3.259 0 1 GGAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4CSCC(=O)N4)[nH]c3c2)cc1 587042254 BRDFSFKWLKHSSY-INIZCTEOSA-N 383.429 3.046 0 1 GGAF Cc1nn(C)cc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657014 PXLXBHAOINCIMB-UHFFFAOYSA-N 380.354 3.072 0 1 GGAF CC(=O)CC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)cc1 587638180 NNMUXSSRRSEWAY-UHFFFAOYSA-N 393.399 3.344 0 1 GGAF COC(=O)c1cc2[nH]c(C[C@@H](NC(C)=O)c3ccc(C)cc3)nc2cc1OC 587216790 MKCHRCGOFMITPG-MRXNPFEDSA-N 381.432 3.086 0 1 GGAF CCn1cc(Br)c(Cc2nc3cc4c(cc3[nH]2)OCCCO4)n1 587001530 ZKHJPYMGYNYADB-UHFFFAOYSA-N 377.242 3.294 0 1 GGAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cnc3ccccn13)CC2=O 587488783 JUXAVQZUPBKENN-QFIPXVFZSA-N 394.427 3.416 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(N3CCC(O)CC3)nc1Cl)O2 587413473 OLSGBQMFLSSZJA-AWEZNQCLSA-N 393.896 3.355 0 1 GGAF Cc1nc(C(=O)O)c([C@]2(c3ccccc3)c3ccsc3CCN2C(N)=O)s1 962721440 ZISDHSYJSQTOHN-IBGZPJMESA-N 399.497 3.440 0 1 GGAF CCOC(=O)C[C@H]([C@@]1(C)NCCc2c(C)ccnc21)P(=O)(OCC)OCC 963078039 WHGDVBLJFYYJFF-VQIMIIECSA-N 398.440 3.339 0 1 GGAF Fc1ccc([C@@H](CN2CCN(c3ccccn3)CC2)NCc2ccccn2)cc1 198329015 FYYIMHNYUIWLQT-JOCHJYFZSA-N 391.494 3.269 0 1 GGAF COc1ccc2c(c1)[C@@H]1NC(=S)N[C@](C)(O2)[C@H]1C(=O)Nc1ccc(C)cc1C 13483525 SKGFNVJFCBPWOT-LVCYWYKZSA-N 397.500 3.194 0 1 GGAF CC(=O)Nc1ccc2c(c1)C[C@@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccccc1 169241028 RNRCQICMAYSEFP-XGHQBKJUSA-N 384.501 3.117 0 1 GGAF NC[C@H]1CCCCN1c1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1 205243594 VUCWPIZXOBOQHY-MRXNPFEDSA-N 385.475 3.400 0 1 GGAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4055665 NCEBJRKNCXEJCS-DFEOGRTESA-N 388.851 3.445 0 1 GGAF O=C(c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26010300 MLJYWBHXQXYUKO-QGZVFWFLSA-N 380.206 3.495 0 1 GGAF COc1ccc2c(c1)OCc1ncccc1C2=C1CCN(CCC(=O)O)CC1 27557373 SSPBTOKLIDFNKM-UHFFFAOYSA-N 380.444 3.355 0 1 GGAF CC(=CCC[C@@H]1C[C@H](c2cc(O)ccc2O)OC1=O)CCC=C(CO)CO 2356865245 WKBBTEUDELYQMD-OXQOHEQNSA-N 376.449 3.120 0 1 GGAF Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3nc(NC(C)C)ncc3C)c[nH]2)c1 71788636 QWLPKXHYVMXWPL-LJQANCHMSA-N 393.491 3.372 0 1 GGAF Cn1cc2c(n1)C(=O)N(c1cc(Cl)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 220359284 AQMPZYCOHRMIPG-INIZCTEOSA-N 389.242 3.175 0 1 GGAF COc1ccc2c(c1)c(CCNC(C)=O)c1n2C[C@@H]2Cc3ccccc3N2C1 40860669 UBSQZXKDXDODTC-KRWDZBQOSA-N 375.472 3.273 0 1 GGAF O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccc(F)cc1 95794816 QWTIISNEFUUELY-JTHBVZDNSA-N 394.490 3.167 0 1 GGAF Cc1nn(-c2cccc(NS(=O)(=O)Cc3ccccc3)c2)c(C)c1CC(=O)O 96923970 IFDYORYXJNIVFA-UHFFFAOYSA-N 399.472 3.058 0 1 GGAF CCn1c(NC(C)C)nc2c([C@@H]3CCN(C(=O)C(C)C)C3)csc2c1=O 299858220 DKNQUIGACLDKSQ-CYBMUJFWSA-N 376.526 3.270 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C=C(CO)OC=C1OCc1ccccc1)[C@@H](C2)C3=O 587456675 XHIGVBQKRLIJKV-FDDCHVKYSA-N 392.407 3.146 0 1 GGAF Brc1c[nH]c2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)nc-2n1 587043044 XKFSDSRRKYIUQR-CMPLNLGQSA-N 376.283 3.013 0 1 GGAF CCOC(=O)[C@@H]1CC[C@@]2(CO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587831855 ITSRBFZZWDBDDW-QXKQMHMISA-N 386.261 3.060 0 1 GGAF O=C1COc2cc3[nH]c([C@H](NC(=O)c4ccccc4)c4ccccc4)nc3cc2N1 587224284 RDPZNECZAVWKSU-OAQYLSRUSA-N 398.422 3.413 0 1 GGAF CN(C)S(=O)(=O)CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586932062 UQZXSAUKBQTLJJ-UHFFFAOYSA-N 386.502 3.274 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCC(CO)CC4)cc1)[C@@H](C2)C3=O 587440461 ZVEBUATXRQTNMT-CVDCTZTESA-N 379.456 3.393 0 1 GGAF CN(C)/C=C/[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572111 NKFZZVSVCBRTRN-UNSXWEAHSA-N 389.411 3.115 0 1 GGAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cnnc(O)c3[nH]2)c(C2CC2)n1 587232001 KNOPKQRTRWIZPX-UHFFFAOYSA-N 382.424 3.023 0 1 GGAF COCCNC1=C[C@@]2(CC(C)(C)C1)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962731231 QIWSKBAEGSSUHP-XLIONFOSSA-N 396.453 3.468 0 1 GGAF CC(C)(C)c1ccc(Cn2ccn3nc(C(=O)N4CCCCC4)cc3c2=O)cc1 1772604184 KJMBDHXGERGIJE-UHFFFAOYSA-N 392.503 3.468 0 1 GGAF CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)c2ccsc2)C1 13596843 RJYLEHILSMFAEO-KRWDZBQOSA-N 385.533 3.477 0 3 GGAF Cc1ccc2nc(Cn3nc(CC(=O)O)c4ccccc4c3=O)sc2c1F 13860770 CIDKRXPJSJGVFO-UHFFFAOYSA-N 383.404 3.129 0 1 GGAF O=C(Nc1cccc(NC(=O)[C@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)c1)c1ccccc1 169299791 RNLOQMMYJAGPOG-RBPQIDMKSA-N 376.412 3.075 0 1 GGAF CCCCCC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 169362646 ZIKBTZZAYKAEPP-ONBYOPHZSA-N 397.515 3.309 0 1 GGAF c1ccc2nc(-c3nc4ccccc4o3)c(NCCN3CCOCC3)nc2c1 1857553540 LDDDTDUZZLYKDI-UHFFFAOYSA-N 375.432 3.182 0 1 GGAF O=C(CCCN1C(=O)c2ccccc2Sc2ncccc21)NC[C@H]1CCCO1 6797084 PNAOJQKWLFURIU-OAHLLOKOSA-N 397.500 3.268 0 1 GGAF CC(C)OCCCNC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 6808404 RZSIIFHZMRTUBH-UHFFFAOYSA-N 379.503 3.247 0 1 GGAF CO[C@@H]1OC[C@]23[C@H](CCC[C@@H]12)[C@@]1(C[C@H](c2ccoc2)OC1=O)[C@@H](C)C[C@H]3O 2356415418 KVKRTHRXHVCLRA-HTJYGGNZSA-N 376.449 3.060 0 1 GGAF COc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)c4cccnc4)C[C@@H]2N3)cc1 100106758 BIGJZAOXTLQMID-IUTQVRIDSA-N 385.467 3.337 0 1 GGAF CCOCCNC[C@@H](O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 26014449 FNAKPXHJPVVSGR-MRXNPFEDSA-N 387.505 3.171 0 1 GGAF CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cccnc21 143685571 MNACUPHPUUNGEQ-UHFFFAOYSA-N 376.464 3.372 0 1 GGAF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1coc2ccc(-c3ccco3)cc2c1=O 71332287 UZFNZKVIUWFQLH-SFHVURJKSA-N 394.383 3.244 0 1 GGAF Cc1ccc(-c2nc(CSc3nc(N)nc(N)n3)cs2)cc1OCCF 96283885 FGBZARCXSQNTGQ-UHFFFAOYSA-N 392.485 3.109 0 1 GGAF O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(Cl)c1 95558394 DVBHCMNIFLHUIM-UHFFFAOYSA-N 383.260 3.434 0 1 GGAF Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2nc(CO)cc2C)CC1 261171717 TWBGPAWOFRHVHU-KOMQPUFPSA-N 376.888 3.029 0 1 GGAF COC[C@@]12C[C@@H](CC1=O)[C@@H]1[C@H]2ON2c3ccccc3C(=O)[C@@]12c1ccccc1 299814373 FLDNSLQVGNOXOV-QKAHJLOSSA-N 375.424 3.140 0 1 GGAF CCCNCC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1 653724584 CGYRCXZUKUKSBL-HXUWFJFHSA-N 389.455 3.470 0 1 GGAF COC(=O)c1cc(Br)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)[nH]1 587377674 OUGLDWHSKYULLO-KRWDZBQOSA-N 393.237 3.335 0 1 GGAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 587242791 ZZAIQMFCHANPAY-UHFFFAOYSA-N 386.477 3.252 0 1 GGAF COc1ccccc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599615 GYCLOABFYWANSJ-AVRDEDQJSA-N 392.363 3.343 0 1 GGAF O=C(N[C@@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)C(=O)O)OCc1ccccc1 587204257 WXECEBWQPOXTEB-SFHVURJKSA-N 393.443 3.364 0 1 GGAF COc1cccc([C@@H]2CC(=O)C[C@@]3(C2)NC[C@@H]2CC(=O)N(C)c4cccc3c42)c1 963016950 DCWXHGCQWPPVBD-XVTZWQNCSA-N 390.483 3.481 0 1 GGAF CN1C(=O)C[C@H]2CNC3(CCC(CN)(c4ccccc4)CC3)c3cccc1c32 963034377 RHKHAKRVSHLQPV-XWFFHEKESA-N 375.516 3.406 0 1 GGAF COC(=O)C1=Cc2ccc(OC)cc2O[C@@H]1c1cc(OC)c(OC)c(OC)c1 13553838 FPLNYYOPKZMBMW-LJQANCHMSA-N 386.400 3.411 0 1 GGAF COc1cc(OC)cc(C2=Nn3c(nnc3-c3ccccc3OC)SC2)c1 13828663 UPLPQOUVKXXGHF-UHFFFAOYSA-N 382.445 3.329 0 1 GGAF CC[C@@H]1[C@@H](c2ccccc2O)c2cc3c(cc2O[C@H]1N1CCOCC1)OCO3 16958628 MPGWMGUALYVDAX-YKAGIRRDSA-N 383.444 3.330 0 1 GGAF CCOc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)cn1 169709212 ZBFXQFPWBLMOFY-KSSFIOAISA-N 387.455 3.474 0 1 GGAF C[C@@](O)(c1ccc(Cl)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 26006891 JMZJOQIVTXIKOJ-MSOLQXFVSA-N 378.259 3.380 0 1 GGAF O[C@H](c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26008642 UALIIGYAUNFWEZ-IAGOWNOFSA-N 382.222 3.345 0 1 GGAF COc1ccc([C@H]2C[C@H]2C(=O)N2C3CCC(CC3)[C@H]2C(=O)N2CCCC2)cc1 26401826 AODJDUWPJMBWRZ-QCRWKMLFSA-N 382.504 3.191 0 1 GGAF C[C@H](CSC(=O)c1ccccc1)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 28096991 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0 1 GGAF O=C(CN1CCC(NC(=O)c2ccco2)CC1)Nc1cc(Cl)ccc1Cl 4400434 DXYKMCNPCKYFHZ-UHFFFAOYSA-N 396.274 3.419 0 3 GGAF COc1c(Cl)cc(Cl)c(O)c1C(=O)NC[C@@H]1CCCN1CCC[18F] 101442774 LCYSGPSKMAMCSO-AADSUZOKSA-N 378.262 3.261 0 1 GGAF CCCc1cc(N)cc(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 28253153 OZZUMEOHHKMBQM-UHFFFAOYSA-N 386.459 3.278 0 1 GGAF Cc1cc(OCCCN2[C@@H]3CNC[C@H]32)ccc1-c1nc2c(C)c(F)ccc2[nH]1 101346884 VSUUQRZGWLNIQQ-WOJBJXKFSA-N 380.467 3.411 0 1 GGAF Brc1ccc([C@H]2C=C(c3ccc4c(c3)OCO4)Nc3nnnn32)cc1 101071704 NBSXILOMFUKURC-CQSZACIVSA-N 398.220 3.220 0 1 GGAF COc1ccnc(N2C[C@@H]3CN(C(=O)c4c(C)ccc5ccccc45)C[C@H]3C2)n1 116821758 YSPJHPRRYBJEGJ-ROUUACIJSA-N 388.471 3.155 0 1 GGAF C[C@H](CO)Nc1nc(SCc2cccc(Cl)c2)nc2nc(N)sc12 28820829 DOHXZWATHUYWIY-MRVPVSSYSA-N 381.914 3.407 0 1 GGAF COc1cc(C(=O)N(C(C)C)C(C)C)ccc1C(=O)N[C@@H](CC(C)C)C(=O)O 38331735 GYRHQFMYUWHQRC-KRWDZBQOSA-N 392.496 3.183 0 1 GGAF CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(O)c2)N1C(C)=O 49808146 BTYXAYFKYZQQTA-PZJWPPBQSA-N 378.428 3.299 0 1 GGAF COCCN(C(=O)c1cnc(-c2cccc(C)c2C)cn1)c1ccc(OC)nc1 49053931 YWIMUONNODRZHD-UHFFFAOYSA-N 392.459 3.457 0 1 GGAF c1ccc(-c2nnc(N3CCN(c4ncccn4)CC3)cc2-c2ccncc2)cc1 43197356 OAXXZZBGZDNSGE-UHFFFAOYSA-N 395.470 3.322 0 1 GGAF in-vivo COc1cnc2c(Nc3ccc(F)c([C@@]4(C)N=C(N)O[C@H]5C[C@H]54)c3)nccc2c1 225090076 AHSUGOLUVUBUCR-LDBYXDLTSA-N 393.422 3.470 0 1 GGAF O=C(c1nc2ccccc2[nH]1)N1CC[C@@H](Oc2ncccc2C2CCOCC2)C1 96168950 AFEIQIPWXWPMMW-MRXNPFEDSA-N 392.459 3.145 0 1 GGAF O=S(=O)(c1ccccc1)N1N=C(C(F)(F)F)C[C@@H]1c1cccc2c1OCO2 299836673 HKEXIKYWKAOJNB-CYBMUJFWSA-N 398.362 3.469 0 1 GGAF CCCn1c(=O)ccc2c(-c3nc(C(=O)OC)c(-c4cccnc4)s3)[nH]nc21 653840710 PBOWQRKUMWKGQC-UHFFFAOYSA-N 395.444 3.107 0 1 GGAF CCOC(C)(OCC)C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867963 TWLZAOUTSHDVNB-UHFFFAOYSA-N 387.358 3.402 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@]2(Cl)CCOC2=O)N1 587695309 RGOSDEVJPRROOD-BKQRNIBNSA-N 376.653 3.262 0 1 GGAF Cc1nn(C)c(C(=O)c2c(CO)oc3cc(Br)cnc23)c1Cl 587275910 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392.481 3.004 0 1 GGAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@@H](C)c1ccncn1 206070596 BPRSGQHMNJDRQL-LBPRGKRZSA-N 399.458 3.182 0 1 GGAF COC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1cccc([N+](=O)[O-])c1)CSC3 206137648 BKSCVKMNUKKMTH-HNNXBMFYSA-N 398.444 3.323 0 1 GGAF CC(=O)c1ccc(-c2cccc(NC(=O)CCc3cccc4c3B(O)OC4)c2)cc1 1857547794 KANKQAZGSKQFCK-UHFFFAOYSA-N 399.255 3.345 0 1 GGAF COc1c(Cl)c(/C=C/C(=O)N2CCC=CC2=O)c(Cl)c(OC)c1OC 1857651027 UGAAILBHHYRVLT-BQYQJAHWSA-N 386.231 3.348 0 1 GGAF CC(=O)O[C@@H]1C[C@H](C)[C@](O)(CCC2=CC(=O)O[C@@H]2O)[C@]2(C)CCCC(C)(C)[C@H]12 2356417373 ZHDFOHJIRGVVGC-PCSUTLMCSA-N 394.508 3.103 0 1 GGAF CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)OC)c(=O)[nH]c1=O 6424927 IIQFZHAETGKTMI-UHFFFAOYSA-N 390.505 3.210 0 1 GGAF CCCCc1c(O)c2cccnc2n(-c2cc(OC)c(OC)c(OC)c2)c1=O 100818783 SGVDSGYYJJSBGQ-UHFFFAOYSA-N 384.432 3.460 0 1 GGAF O=c1n(Cc2nc3ccccc3n2CCCCO)c2cnccc2n1C1CCC1 28820874 LYXGPAISSWDLNQ-UHFFFAOYSA-N 391.475 3.094 0 1 GGAF CNC(=O)N(C)c1c(OCCN2CCCCC2)c(OC)c2occc2c1OC 29404438 BCOYFLSKLGSBKN-UHFFFAOYSA-N 391.468 3.090 0 1 GGAF CS(=O)(=O)Nc1cccc(CN2CC[C@@H](Nc3cccc4cnccc34)C2)c1 114334951 ZRMHZVWQKSOWAN-LJQANCHMSA-N 396.516 3.293 0 1 GGAF Cc1cc(C)nc(N2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)n1 20464110 GGJAHXCUBYGKDR-UHFFFAOYSA-N 383.540 3.330 0 1 GGAF Cc1cc(=O)oc2c(CN3CCOCC3)c(OC(=O)c3ccccc3)ccc12 29063792 CGXKMDWYGGPBMD-UHFFFAOYSA-N 379.412 3.153 0 1 GGAF CC1(C)CC(=O)C[C@]1(C)c1ccc(C(=O)OCC[C@](C)(O)CC(=O)O)cc1 2356558352 WOXSROLDXSRULX-LEWJYISDSA-N 376.449 3.106 0 1 GGAF CC(=O)Nc1ccc2c(c1)CN(C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl)C2 144910701 USSFQFXDHWFNOK-GOSISDBHSA-N 392.286 3.364 0 1 GGAF CN1CC(=O)N2C[C@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@]2(C)C1=O 2117984 ACHLBUGZAPTWBJ-IVZQSRNASA-N 393.874 3.483 0 1 GGAF biogenic CCc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCOCC2)nc1 73157647 OKFNGBSHUCUBEU-UHFFFAOYSA-N 378.432 3.388 0 1 GGAF Cc1nn(-c2ccccc2)c(C)c1COC[C@H](O)CN1CCc2ccccc2C1 219745991 HMIUAQCRYLSUHT-HSZRJFAPSA-N 391.515 3.425 0 1 GGAF CN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2ccc3c(c2C1)C(=O)NC3 45338601 XTSOIKPIGSXYHG-QGZVFWFLSA-N 393.462 3.419 0 1 GGAF COc1ccc(OC)c(-c2coc3cc4c(c(OC)c3c2=O)OCO4)c1OC 14437410 YHZQZVMXNMXIGP-UHFFFAOYSA-N 386.356 3.223 0 1 GGAF biogenic COc1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 45372720 FQODPQFAJWPCDY-ZWKOTPCHSA-N 378.394 3.333 0 1 GGAF O=C(O)c1cn(Cc2ncc(-c3ccccc3)cn2)c2c(F)cccc2c1=O 45336477 KMEBZTSEEQWIHP-UHFFFAOYSA-N 375.359 3.344 0 1 GGAF O=C(NC1CCCCC1)N1Cc2cc(Br)ccc2-n2nncc2C1 199736127 WIBPVQRFVPKTAC-UHFFFAOYSA-N 390.285 3.388 0 3 GGAF Cc1ccc(NCC(=O)N2CCCN(Cc3nc4ccccc4[nH]3)CC2)cc1C 49115148 ZNZQWNGXNHEWCD-UHFFFAOYSA-N 391.519 3.326 0 1 GGAF N=C(N)SCc1ccccc1C(=O)c1cc(F)ccc1CSC(=N)N 84671829 PCGCPEDEXIPNAO-UHFFFAOYSA-N 376.482 3.310 0 1 GGAF CC[C@H]1CN(C(=O)c2cccnc2)CC[C@@H]1CC(=O)NCc1ccc(F)cc1 25427747 ILYPBVFQWRRVQR-ZWKOTPCHSA-N 383.467 3.416 0 1 GGAF biogenic COc1cc(O)c2c(c1Cl)C[C@@H](O)C=CCC[C@H]1O[C@@H]1C[C@@H](C)OC2=O 299810741 YXIXMWJMLDYKJG-BAESOJJISA-N 382.840 3.010 0 1 GGAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(O)ncnc3[nH]2)C[C@@H]2CCCC[C@@H]21 587027590 SHKKDJCHWODRFH-IHRRRGAJSA-N 383.477 3.195 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3COC[C@@H](C1)N3C(=O)OC(C)(C)C)O2 587399674 MTNCETWXTQDOGS-GFENJXEQSA-N 388.464 3.080 0 1 GGAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2ncnc(Cl)c2[nH]1 587001243 XFYSIFWPCSCJJK-UHFFFAOYSA-N 393.584 3.248 0 1 GGAF COc1cc(N)c(I)cc1-c1nc2cccc(O)c2[nH]1 587179310 UVEBONSSHMBEMC-UHFFFAOYSA-N 381.173 3.131 0 1 GGAF Fc1cccc(Cn2nnc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2Cl)c1 587161264 LUOBFGOHECPGBP-UHFFFAOYSA-N 397.723 3.423 0 1 GGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1 586938469 KAMAOMMJSOOWQN-GFCCVEGCSA-N 389.477 3.324 0 1 GGAF CCc1cc(O)nc(SCc2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)n1 586966208 AZRYSSIUWITYFC-UHFFFAOYSA-N 378.841 3.353 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CN(C)CC[C@]2(C)O)N1 587762778 UQKGSKYWCBWIDW-XWGGXCHLSA-N 385.321 3.040 0 1 GGAF COC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587648705 FUOMIMPERDJPAZ-UHFFFAOYSA-N 391.832 3.248 0 1 GGAF N[C@@H](N=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 587145278 VOEMEJGSLQJCHV-WBMJQRKESA-N 392.232 3.431 0 1 GGAF CN(C)C(=O)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587148718 KIVGAPCFPMKHQE-CQSZACIVSA-N 398.413 3.059 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](CC(=O)OCC)C(=O)OCC)CC2=O 587483471 QLUSLPXDCZQTIF-QVKFZJNVSA-N 392.448 3.201 0 1 GGAF Cc1cc(C)c2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2c1 586947111 SQFRFRULTYCXBS-INIZCTEOSA-N 385.489 3.304 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCC(O)CC4)cc1)[C@@H](C2)C3=O 587443237 LRXBKNWMHSDUTI-CVDCTZTESA-N 379.456 3.319 0 1 GGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1C[C@H]3[C@@H](C(=O)O)[C@H]1C(=O)O 587207712 VPGBYARLZWFPBK-SPWGLZBTSA-N 385.375 3.432 0 1 GGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](c2ccc(Cl)cc2)(c2cncnc2)N1 962900564 RNBSHVMYEFAFIQ-PXNSSMCTSA-N 383.810 3.160 0 1 GGAF CC(=O)[C@@H]1C(=O)N2CCc3cccc(c32)[C@]12c1ccc(F)cc1C[C@H]1CCCN12 963094057 LBXKTSUJAWCWBB-MEKIYTOJSA-N 390.458 3.198 0 1 GGAF Cn1nc(-c2cnc(N)c(-c3ccc(F)nc3)n2)nc1C1(c2ccccc2)CC1 1772622196 PFCJCBIDBSZBGG-UHFFFAOYSA-N 387.422 3.135 0 1 GGAF Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1 1772641632 AEPRCVHXUKPBFD-UHFFFAOYSA-N 385.427 3.099 0 1 GGAF CCc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)CC(=O)N32)s1 1857649341 WNVDDMMDUVNDAO-OXJNMPFZSA-N 379.485 3.107 0 1 GGAF Cn1cc(-c2coc(C(=O)N[C@@H]3CNCC[C@H]3c3ccc(Cl)cc3)c2)cn1 1857610078 WCXIHKLVWXQBHJ-ZWKOTPCHSA-N 384.867 3.209 0 1 GGAF FC(F)(F)c1cccc(N2CCN(C(=S)NCc3ccccn3)CC2)c1 1857637741 RPXBBANZYXBIML-UHFFFAOYSA-N 380.439 3.297 0 1 GGAF COc1cccc(CC(=O)N2N=C(c3cccc(C)c3)C[C@]2(O)C(F)(F)F)c1 1857638185 RVWGHAPLEVCPNS-IBGZPJMESA-N 392.377 3.434 0 1 GGAF CC(=O)N1CCc2c(c(-c3cccc4ccncc34)nn2C2CCOCC2)C1 1857755814 HWMVZUDOEQIIJA-UHFFFAOYSA-N 376.460 3.354 0 1 GGAF CCN(CC)CCNC(=O)c1sc2nc(C)nc(N3CCCCC3)c2c1C 2924112 LLXCRXYDHRDCSI-UHFFFAOYSA-N 389.569 3.370 0 1 GGAF COc1ccc([C@H](NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)c2ccccc2)cc1 13151427 VXINVOKFVSDVTO-LSNMZSPYSA-N 377.440 3.424 0 1 GGAF CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(OC)cc3)N2C1=O 13527956 KDQQWNPWUITYOC-UYAOXDASSA-N 375.428 3.475 0 1 GGAF C[C@](O)(c1ccccc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26011162 ALSZSBJXLWUUGS-ROUUACIJSA-N 378.259 3.380 0 1 GGAF O=C(NCC1CCN(C[C@H]2COc3ccccc3O2)CC1)Nc1ccccc1 27198114 ZMBZINVTWBFKMC-IBGZPJMESA-N 381.476 3.360 0 1 GGAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1csc2ccccc12 34083223 SSPFQHXDIDHNKI-UHFFFAOYSA-N 378.453 3.069 0 1 GGAF O=S(=O)(c1ccc(Cl)cc1)c1n[nH]c2ccc(NC3CCNCC3)cc12 35278964 LGCCZQBYTUBZJO-UHFFFAOYSA-N 390.896 3.213 0 1 GGAF COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NC4CCC4)nnc23)c1 71294296 QWWZARYPNGYPLG-UHFFFAOYSA-N 378.432 3.179 0 1 GGAF CCc1c(O)c(OC)c(OCCCO)c2c(=O)cc(-c3ccc(O)cc3)oc12 85633021 BNCQHTCEXWJREI-UHFFFAOYSA-N 386.400 3.203 0 1 GGAF biogenic,in-vitro C[C@@H](Nc1c(Nc2ccnc(Nc3ccncn3)c2)c(=O)c1=O)c1ccccc1 100081293 QIARVAMRJALGOD-CYBMUJFWSA-N 386.415 3.128 0 1 GGAF COc1ccc2c(OCc3nnc4ccc(-c5ccncc5)nn34)ccnc2c1 148953898 LEKNFNRNFVAYOD-UHFFFAOYSA-N 384.399 3.322 0 1 GGAF CN1[C@@H]2CC[C@H](C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C2)N1Cc1ccccc1 169339090 FSXARCBKVDGZDF-BXXSPATCSA-N 394.515 3.348 0 1 GGAF COc1cccc(N(CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204152611 XKYKMEFXVHYFRM-UHFFFAOYSA-N 375.432 3.169 0 1 GGAF COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 253637105 YZCKPGFZFNXGTL-UFYCRDLUSA-N 385.552 3.150 0 1 GGAF Cc1c2c(nn1C)C(=O)N(c1ccc3nnc(C)n3c1)[C@H]2c1ccc(Cl)cc1 261181490 WEXADKQIKVPYMF-IBGZPJMESA-N 392.850 3.483 0 1 GGAF NC(=O)c1[nH]c(=Nc2cccc3ncccc23)sc1NC(=O)c1ccsc1 473165298 XCMOTVVFGRTMTH-UHFFFAOYSA-N 395.469 3.270 0 1 GGAF CCS(=O)(=O)c1ccc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2c1 586882312 NFBBUEHPWBCYNR-UHFFFAOYSA-N 384.457 3.285 0 1 GGAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587069383 JIRXDOZDAMYLEK-JTQLQIEISA-N 377.853 3.240 0 1 GGAF COC(=O)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1OC 587156917 BUVYYTYQXJFYTM-UHFFFAOYSA-N 380.173 3.322 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cncc(I)c1)[C@@H](C2)C3=O 587429313 UFIRULKEMHRNQT-BLLLJJGKSA-N 393.180 3.184 0 1 GGAF COc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587591100 BDRDQCPNTNGXAA-XMSQKQJNSA-N 389.363 3.210 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=Cn3c(C=O)cnc32)N1 587776054 VVTCCLLEHGYWEH-BTDLBPIBSA-N 376.229 3.249 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587795853 JPIUKKAGNHFLTM-MGNBDDOMSA-N 398.272 3.250 0 1 GGAF CN1CCC(n2nnc3c2CC[C@H](c2nc(-c4ccc(F)cc4)no2)C3)CC1 653767969 OYDHXEOEQLGKGX-AWEZNQCLSA-N 382.443 3.006 0 1 GGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](Cc2nc3ccccc3[nH]2)(C(F)(F)F)N1 962892620 GLOGTNGSUWOUOE-MAUKXSAKSA-N 393.340 3.301 0 1 GGAF Oc1ccc([C@@]2(CN3CCOCC3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963096280 DDBFMTBBEVXDFO-REWPJTCUSA-N 382.479 3.128 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC[C@H]3CCCO3)c2cn1)c1ccccc1 1772593344 FAGIWKXHUUDVAW-UKRRQHHQSA-N 380.452 3.432 0 1 GGAF NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cccc(CCC(=O)O)n1 1857759946 UZXJMJDGLPYFNB-UHFFFAOYSA-N 393.321 3.040 0 1 GGAF S=C(N=c1[nH]nc2c3c4c(sc3ncn12)CCCC4)Nc1ccccc1 1857764784 ZTSUAGHKRYOFNA-UHFFFAOYSA-N 380.502 3.449 0 1 GGAF COc1cc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc(OC)c1OC 1857772629 VUGIZZANDHBHQG-UHFFFAOYSA-N 381.812 3.049 0 1 GGAF CCOC(=O)CCC(=O)Nc1cc(Nc2cccc(Br)c2)ncn1 1857774693 GONAYGRQNWDQOL-UHFFFAOYSA-N 393.241 3.265 0 1 GGAF CC(C)C(=O)N[C@H]1[C@H](O)CCC[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 96018492 XGJSPIJEZXWPEY-DPLHUUCSSA-N 392.499 3.157 0 3 GGAF CN1CCN(C(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)CC1 2948123 CNJFGQLFNXBLMP-UHFFFAOYSA-N 382.489 3.207 0 3 GGAF COc1ccc(CNc2ccnc(-c3ccc(C(=O)N(C)C)cc3)n2)c(OC)c1 4265893 KHLSMKAEQABUGJ-UHFFFAOYSA-N 392.459 3.475 0 1 GGAF CCc1nn(C)c(C(=O)NCc2ccc(O[C@@H](C)C(F)(F)F)nc2)c1Cl 103177060 FAUGQYPDGFFMNT-VIFPVBQESA-N 390.793 3.291 0 1 GGAF CC(C)Nc1nc(-c2ccc(CCN3CCCC3)cc2)cc2ncn(C)c(=O)c12 115626298 NJOQQQFCQRRQBX-UHFFFAOYSA-N 391.519 3.454 0 1 GGAF CC(C)(O)[C@H]1C[C@H](Nc2nc(-c3cc(F)ccc3O)nc3ccccc23)CN1 59288678 KAKIGTDFJXYOTB-SCLBCKFNSA-N 382.439 3.055 0 1 GGAF Cn1c(Cl)c(Cl)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21 118582424 MFPWXNRUMHCDCO-SFHVURJKSA-N 394.258 3.332 0 1 GGAF CCCC(=O)c1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1 61931034 DARHICFGDKBTFS-UHFFFAOYSA-N 379.416 3.428 0 3 GGAF COc1ccccc1N1CCN(CCN[C@@H]2CCCc3c(OC)cccc32)CC1 22937544 FVDGLILSFMGSJG-OAQYLSRUSA-N 395.547 3.493 0 1 GGAF CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=C=CCCC(=O)OC 22001643 GNIYHUSSKSFYBD-SFSROIJKSA-N 380.525 3.286 0 1 GGAF in-man CCOC(=O)C(=O)N(C)c1c(CC)nc2c(OCc3ccccc3)cccn12 61929404 NMCRQJHONPHDLN-UHFFFAOYSA-N 381.432 3.002 0 3 GGAF C[C@]12CC[C@H]3[C@@H](C[C@H]4OC[C@]35CC[C@H](O)C[C@]45Br)[C@@H]1CCC2=O 2356671929 PNLOSOCURUFDEO-LYVQZGCSSA-N 383.326 3.465 0 1 GGAF CCN1C(=O)C(c2ccccc2)(c2ccccc2)C[C@H]1CCN1CCOCC1 71927973 LAWAJYDWQZESMM-JOCHJYFZSA-N 378.516 3.316 0 3 GGAF in-vitro Nc1nc(Br)ncc1-c1c[nH]c2cc(Br)cc(O)c12 14681612 LEYOWHPQCIYIMA-UHFFFAOYSA-N 384.031 3.438 0 1 GGAF biogenic Cc1c(Cl)cccc1Cn1c(C)nc(=O)c2sc(N3CCOCC3)nc21 84733421 VGTBFMMMRGCJCS-UHFFFAOYSA-N 390.896 3.008 0 1 GGAF C[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CC[C@@]2(CC[C@@H](O)C2)OC1=O 146077389 XUWZHNIUAHKYPJ-VQPPSCEASA-N 382.460 3.239 0 1 GGAF Nc1nccn2c(C3CCC3)nc(-c3ccc(C(=O)N4CCSC4)cc3)c12 96168361 ALKWSSWKRXKLCU-UHFFFAOYSA-N 379.489 3.393 0 1 GGAF Cc1ccccc1-c1nc(CN2CCC[C@@H](C(=O)NC[C@H]3CCCO3)C2)c(C)o1 618007116 IIXBLWVBOZKUMB-RTBURBONSA-N 397.519 3.466 0 1 GGAF C[C@]1(c2cnc(C(=O)O)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337637 LZFYOXUZKXOGEV-WIYYLYMNSA-N 394.358 3.294 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C1CC1)C(F)(F)C(=O)O 587545180 GUQRKZBGXCALKS-RDTXWAMCSA-N 376.311 3.223 0 1 GGAF CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(OCC(=O)O)=CO1 587831152 GXKRUEHOHBILAB-VVVCHXIZSA-N 398.228 3.194 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCC(N)=O)c2)N1 587749708 QEQQTSCILHHPDU-XTZNXHDOSA-N 393.256 3.076 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 587088423 NITVVRLNTSOFBP-LBPRGKRZSA-N 398.479 3.343 0 1 GGAF O=C1CCc2cc([C@]3(C(=O)O)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1 587528127 XCCSMPQXYXQVPE-QHCPKHFHSA-N 391.423 3.395 0 1 GGAF COC(=O)c1ncccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587772953 PUKAEPRAWSQSPW-BJOHPYRUSA-N 379.229 3.393 0 1 GGAF CC(=O)N[C@H](Cc1nc2cnc(Cl)[nH]c-2n1)c1ccc(Br)cc1 586984740 IKOOPKGOWDVUHW-LLVKDONJSA-N 394.660 3.140 0 1 GGAF CC(C)(C)c1cc(NC[C@H]2[C@@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)no1 208091734 SZVUOZVUDJCILG-WMLDXEAASA-N 377.510 3.471 0 1 GGAF CCC(=O)N1CCOc2c(cc(-c3cc(OC)cc(OC)c3)cc2C(=O)O)C1 1772617785 RUYFDAVAMCPXAM-UHFFFAOYSA-N 385.416 3.200 0 1 GGAF O=c1n2c(c(O)n1C1CCN(Cc3ccccc3)CC1)Cc1ccccc1C2 169718927 DINCZVLQKKTFLI-UHFFFAOYSA-N 375.472 3.145 0 1 GGAF CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)cc2)N2C(=O)CSC2=N1 3208632 KISWOENOEQATHR-GOSISDBHSA-N 379.441 3.291 0 3 GGAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4050160 JSRMNRTUYSQWLH-MXKPZRPRSA-N 394.471 3.207 0 1 GGAF CC[C@@H]1CCCCN1CCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 4104143 SJUBCWSKONYPMV-RTWAWAEBSA-N 385.552 3.257 0 3 GGAF COC(=O)c1ccccc1NC(=O)CCC(=O)N1C[C@H](C)Oc2ccc(C)cc21 6797928 BZSRAKAWEWNTLO-HNNXBMFYSA-N 396.443 3.314 0 3 GGAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@@H]2C(=O)OCc1ccccc1 29203085 CODRVQGKDHKTDZ-IVAOSVALSA-N 379.456 3.438 0 1 GGAF CC(=O)O[C@H](C)OC(=O)N(C[C@H](O)COc1cccc2ccccc12)C(C)C 26952169 HBWFUIQMOICLQJ-WMZOPIPTSA-N 389.448 3.336 0 1 GGAF N=C(N)c1cccc(N2CCCN(C3CCN(Cc4ccccc4)CC3)C2=O)c1 26648646 WQVRWEUKPWWBBM-UHFFFAOYSA-N 391.519 3.267 0 1 GGAF COC(=O)[C@@H](NC(=O)c1ccccc1)c1ccc(OC)c(Br)c1 34985744 RFXWLZAJBJPCND-HNNXBMFYSA-N 378.222 3.102 0 1 GGAF NC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2)n1 82071494 WQPHWXSVIWFLGS-INIZCTEOSA-N 397.525 3.327 0 1 GGAF Cc1cc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)ccc1Cl 198502215 GVOJEGPJNSAPKK-UHFFFAOYSA-N 375.837 3.334 0 1 GGAF CN(C[C@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccc(F)c2)cc1)C(=O)CC1CC1 95895706 FUGXLABWRWCWSI-GIWBLDEGSA-N 382.479 3.168 0 1 GGAF CCCSc1nc(N(C)C)ccc1C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 95572582 MEZAJLGYHJTWFV-DJASPMHUSA-N 389.565 3.319 0 1 GGAF CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[C@H](N3CCC[C@H]3C)C2)c(C)c1 261106236 HLXWQWSECJUMCI-PIPMEXSNSA-N 398.551 3.007 0 1 GGAF CC(C)c1nc(C(=O)NCC2CCN(C3CCOCC3)CC2)c2ccccn12 653801368 ZFVMTQIFMXTHFZ-UHFFFAOYSA-N 384.524 3.079 0 1 GGAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cnnc(O)c4[nH]3)c(F)c2)c1 587146983 DRMCGODEDYSGGQ-UHFFFAOYSA-N 380.335 3.238 0 1 GGAF CCOC(=O)Cc1ccc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 587217097 TYKLDDXCPOAOEV-LJQANCHMSA-N 379.460 3.397 0 1 GGAF CCn1cc(Br)c(Cc2nc3cncc(Br)c3[nH]2)n1 587000266 HUGLWYGLJPRNQX-UHFFFAOYSA-N 385.063 3.290 0 1 GGAF CCOC(=O)[C@@H]1[C@@H]2CC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]21 587597981 SUEYDZLTNFRNIX-UHYPTCIESA-N 380.396 3.312 0 1 GGAF CC1=C[C@]2(CC(=O)N1C1CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581906 JPRNIZMZAQHRFF-SIKLNZKXSA-N 377.396 3.391 0 1 GGAF CCS(=O)(=O)c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1 587092276 VBOPLVONYXTRIH-UHFFFAOYSA-N 385.367 3.360 0 1 GGAF CC(C)(C)OC(=O)N1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581629 INHIQHGYHBAFFZ-INIZCTEOSA-N 383.400 3.343 0 1 GGAF O=C(O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587607327 HYMWFSBSHBKPIK-PXNSSMCTSA-N 378.336 3.499 0 1 GGAF NCCc1c[nH]c2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12 13604964 SFOKJRGOEMIKRG-UHFFFAOYSA-N 378.476 3.109 0 1 GGAF COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 13797339 HPRLAWOHFRYBFS-IBURTVSXSA-N 388.467 3.095 0 1 GGAF O=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2ccccn2)n1 14974777 OHPFNMNHNRGIBV-UHFFFAOYSA-N 383.454 3.021 0 1 GGAF COc1cc2c(cc1OC)[C@@H]1O[C@H](OC)c3c(ccc4c3OCO4)[C@@H]1NCC2 15257532 JEUAVYPZVKRQOZ-ZJOUEHCJSA-N 385.416 3.036 0 1 GGAF endogenous,in-man CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCC(=O)O)cc3)oc2c1 168918981 PTLUFJWWMHMZBW-LBPRGKRZSA-N 393.399 3.208 0 1 GGAF C[C@@]1(c2nnnn2C2CCCCC2)CCCC(=O)N1CCc1ccc(O)cc1 203465291 OZGXNXOAFALYAQ-NRFANRHFSA-N 383.496 3.354 0 3 GGAF NC(=O)c1cccc(NC(=O)N2CCC(c3noc4ccc(F)cc34)CC2)c1 205138764 BCVHFNLBLCIKPQ-UHFFFAOYSA-N 382.395 3.477 0 1 GGAF OC[C@@H]1CCCN1c1nc2ccccc2c(=NCCc2ccccc2Cl)[nH]1 1857534393 KGUFEZRPPYQLME-INIZCTEOSA-N 382.895 3.321 0 1 GGAF C[C@@H](N=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=N[C@H](C)C2CC2)[nH]1)C1CC1 1857765754 KRSKURCJOGAEOS-GHMZBOCLSA-N 392.429 3.217 0 1 GGAF COc1cccc(Cn2c(=O)c(-c3cn(C)c4ccccc34)nc3cncnc32)c1 4239178 QZFMWXZLXZDIRY-UHFFFAOYSA-N 397.438 3.402 0 1 GGAF CNC(=O)[C@@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccc(Cl)cc4)nc23)C1 6945025 CQIHUDYPTFGVMA-CQSZACIVSA-N 398.898 3.048 0 1 GGAF CCCc1nc(C(=O)O)cn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13745667 USBUCCQVSHPQTC-UHFFFAOYSA-N 388.431 3.429 0 1 GGAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)NCc1cccnc1 26572117 WKWIBMMQEIAMPI-KRWDZBQOSA-N 391.512 3.233 0 1 GGAF CNC1=C(C(=O)OC)[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OC)=C(C)C1 28121521 CHQUPJLOBBGZOV-OAHLLOKOSA-N 383.366 3.329 0 1 GGAF COc1ccc(S(=O)(=O)c2ccc([C@H](C)NC(=O)C(F)(F)F)cc2)cc1 28333823 SQYIOMVVUUXDFL-NSHDSACASA-N 387.379 3.268 0 1 GGAF O=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccnc1 34861193 VBDGASMEDDPBPH-UHFFFAOYSA-N 388.899 3.491 0 1 GGAF Cc1ccc(Nc2ccnc(Nc3ccc4c(c3)CS(=O)(=O)C4)n2)cc1O 45167064 MRGJXIJFIJCKSL-UHFFFAOYSA-N 382.445 3.406 0 1 GGAF CCOC(=O)c1nc(-c2cccnc2)[nH]c1NC(=S)NCc1ccccc1 45210205 VVBXSMVGQMREJX-UHFFFAOYSA-N 381.461 3.135 0 1 GGAF CC[C@@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82207605 FDZQQCFNVIVOHI-GOSISDBHSA-N 394.450 3.014 0 1 GGAF COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N(C(=O)OC)[C@]15CC2)[C@@H]43 95486215 SQVLFJQJOPEBAA-VTDVIBAZSA-N 396.487 3.091 0 1 GGAF biogenic,in-vitro COc1ccc(F)cc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O 95565183 NTTKMZTZOHUQHJ-UHFFFAOYSA-N 380.778 3.002 0 1 GGAF CC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1Cc1cccnc1 95895870 UTZGYQUFVFLGRA-VXNXHJTFSA-N 391.515 3.114 0 1 GGAF CC(=O)OCc1ccc([S@](N)(=O)=NC(=O)Nc2ccc(Cl)cc2)cc1 102784254 UVJNHHYWHYFOOS-RUZDIDTESA-N 381.841 3.336 0 1 GGAF CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CCNC2=O)[C@@]2(C)CCCC(C)(C)[C@H]12 140686592 LTVWDGPECBUWSM-UJHQHGQKSA-N 377.525 3.358 0 1 GGAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC(C)(C)O)cn1 141305254 OLABBJCYYJUPKT-UHFFFAOYSA-N 381.432 3.125 0 1 GGAF C[C@@H](Nc1nccc(N2CCOC2=O)n1)c1noc(-c2ccc(Cl)cc2)n1 142107425 QTJLTOCUFQQBGG-SNVBAGLBSA-N 386.799 3.310 0 1 GGAF CN(C)CCCOc1cccc([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1 169726097 XDJQQPBNBLIYAV-MOPGFXCFSA-N 393.512 3.248 0 1 GGAF C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(Cl)c1Cl 219152046 MALWKRIWHLIWMW-JTQLQIEISA-N 389.246 3.086 0 1 GGAF COc1ccc(-c2nnc(-c3ccc4nc(C[C@@H]5COCCO5)[nH]c4c3)o2)cc1 586910156 MNQFPFHLJVEKFL-MRXNPFEDSA-N 392.415 3.246 0 1 GGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C(=O)OC)ccc3[nH]2)cc1 586939031 MPHALHBARVISNQ-LBPRGKRZSA-N 387.461 3.093 0 1 GGAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cnccc2[nH]1 586945550 IWVNXLDQIIVVNR-UHFFFAOYSA-N 376.488 3.226 0 1 GGAF CCc1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2c1 586947415 XYJOUEMCZQXSQC-INIZCTEOSA-N 385.489 3.250 0 1 GGAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ncccc32)[C@H]1c1ccc(F)cc1 587350817 SHYFBZZBNIBFPX-LAUBAEHRSA-N 376.343 3.133 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(I)ccnc1F)O2 587387745 WHWCORYRVZDDAX-GFCCVEGCSA-N 398.175 3.422 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2ccn(C)n2)N1 587764150 ONYKCJIXVDRXIW-XCGBKTJRSA-N 393.304 3.175 0 1 GGAF CCOC(=O)c1ccc2c(c1)[C@@]1(N[C@H](CC)Cc3c1[nH]c1ccccc31)C(=O)N2 962943834 CVPOWYFFBODBBQ-FATZIPQQSA-N 389.455 3.465 0 1 GGAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1CC(=O)C(C)(C)C 963135664 FJZZURUASNHOMU-VXGBXAGGSA-N 382.482 3.436 0 1 GGAF CC(C)NC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772627735 QYHNYIULEWEINW-GFCCVEGCSA-N 381.440 3.371 0 1 GGAF CS(=O)(=O)N1[C@H](c2ccccc2)CC=C(C(=O)O)[C@@H]1c1ccc(F)cc1 1857563934 CNQQYAAUWYKEPA-ROUUACIJSA-N 375.421 3.284 0 1 GGAF O=C(CCCCCc1cccc(I)c1)N1CCOC1=O 1857754325 DNHUNXKGFSEJJS-UHFFFAOYSA-N 387.217 3.373 0 1 GGAF COc1oc(C=C[C@](C)(O)CC[C@@H](OC)C(C)=C[C@H](C)O)c(C)c(=O)c1C 2356839556 LVQGAOXDSKNQRU-AVBTWRTFSA-N 380.481 3.152 0 1 GGAF CC(=O)c1ccc(N2CCN(Cc3nc(Cc4ccccc4)no3)CC2)cc1 55369928 ALFRYLCZVYEAPZ-UHFFFAOYSA-N 376.460 3.185 0 3 GGAF O=C([C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl)N1CCOCC1 772860 GTPBOPRAVDBWFR-PKOBYXMFSA-N 388.826 3.430 0 1 GGAF C[C@H](NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc2ccccc2c1 1551307 BIVHPZLZDZBHDL-AWEZNQCLSA-N 389.459 3.123 0 1 GGAF O=C1Nc2ccccc2[C@](O)(C(=O)NCc2ccco2)N1c1c(F)cccc1F 2457778 HFVMMWRQJSBMCI-FQEVSTJZSA-N 399.353 3.071 0 1 GGAF COc1ccc([C@H]2C[C@H](c3cc(OC)c(OC)c(OC)c3)N3NN=NC3=N2)cc1 2913994 SCVULIPSZWUGMJ-HZPDHXFCSA-N 397.435 3.451 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5ncccc54)ccc31)[C@H]1CC[C@H](C2)N1 100632890 BRAKEXHXQMNJDV-CXAGYDPISA-N 392.484 3.114 0 1 GGAF O=C(NN1CCOCC1)C1=NN(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1 28866875 ZBWVCIQQEVESKC-IBGZPJMESA-N 384.867 3.011 0 1 GGAF COc1cc(/C=C2\CCCn3c2nc2ccc(O)cc2c3=O)cc(OC)c1O 28568284 IHWWCFJYUSLQBN-MDWZMJQESA-N 380.400 3.159 0 1 GGAF CC(=O)O[C@@H]1C[C@H]2[C@]3(CC[C@H]4C(C)(C)CCC[C@]42C)[C@H](O)O[C@@H]2OC(=O)[C@H]1[C@@H]23 2356642947 ADKDEFXBDGXIFR-MFYFXXCLSA-N 392.492 3.015 0 1 GGAF O=C(NCC1CCN(C(=O)c2ccccn2)CC1)NC12CC3CC(CC(C3)C1)C2 36330631 GERRKEBMNXKXPB-UHFFFAOYSA-N 396.535 3.202 0 1 GGAF CO[C@@H]1O[C@@](C)(c2ccc(-c3ccccc3)cc2)C(=O)C[C@@H]1N1CCOCC1 33815030 OJXUZWPZAHUBKO-WWNPGLIZSA-N 381.472 3.232 0 1 GGAF COc1ccc(COc2ccc3c(C)c(N4CCN(C)CC4)c(=O)oc3c2)cc1 45387912 ZAOPGMXFLFJFND-UHFFFAOYSA-N 394.471 3.441 0 1 GGAF CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)O1 40423214 PKQRERMTLUUXPF-ZHJQRIIBSA-N 386.366 3.356 0 1 GGAF CC(C)Nc1nc2c(Cl)c(Cl)c(Cl)cc2n1[C@@H]1OC[C@H](O)[C@@H]1O 49110206 HCWRUKNTAABXEC-AQUOVQTQSA-N 380.659 3.067 0 1 GGAF Cc1nnc2ccc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cn12 84652321 FKURHTCFMDOGBU-UHFFFAOYSA-N 383.525 3.011 0 1 GGAF CCC(=O)N1[C@H](CN(C)C(C)=O)[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]1CO 95894982 QBCIKSKNBAWUBS-GIWBLDEGSA-N 398.478 3.036 0 1 GGAF 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397.560 3.090 0 1 GGAF COc1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1 62233561 BKUSWGHRPAZZRB-UHFFFAOYSA-N 376.372 3.304 0 1 GGAF COC1CCC2(CC1)Cc1ccc(C#CC(F)(F)F)cc1[C@]21N=C(N)N(C)O1 140428000 YNRXCFMDHIDMSG-PKUWUEBNSA-N 393.409 3.076 0 1 GGAF C[C@]1(c2ccccc2)CC(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)C1=O 96921994 RHBAMPSISMRRJK-JOCHJYFZSA-N 397.906 3.136 0 1 GGAF Cc1ccc(NC(=O)COc2cccc([C@]3(C)CCSC(N)=N3)c2)cc1O 96174321 BQIRXEYCAIXNTB-FQEVSTJZSA-N 385.489 3.385 0 1 GGAF Fc1ccc2nnc(-c3ccc4cccc(O[C@@H]5CCNC[C@@H]5F)c4n3)n2c1 96175019 CTVPSIXLKPKNTQ-GOEBONIOSA-N 381.386 3.162 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1ccccc1=O 587866192 GBRDEZHFISKLKL-UHFFFAOYSA-N 391.349 3.470 0 1 GGAF CC(C)[C@@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)N(C)C(=O)OCc1ccccc1 587197776 NWTWSFRUYMDKRM-ZDUSSCGKSA-N 388.859 3.336 0 1 GGAF CCOC(=O)[C@H](CC(C)=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598411 UOTJHSRREAKUFW-REDKUUPNSA-N 398.411 3.271 0 1 GGAF CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 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JHIZMAKYWYVXIF-SFHVURJKSA-N 390.409 3.222 0 1 GGAF COc1ccc(-c2noc(C(=O)O)c2[C@H](C)NC(=O)Cc2ccccc2)cc1 2356637924 LBJKHBLMAKTKBE-ZDUSSCGKSA-N 380.400 3.468 0 1 GGAF CN1C(=O)[C@](c2cccc(NC(=O)c3ccco3)c2)(C2CCCCC2)N=C1N 34950041 JSEJOHYXWOWWPR-OAQYLSRUSA-N 380.448 3.094 0 1 GGAF CC(C)C[C@H](NC(=O)C(=O)C(C)(C)C)C(=O)OCCCOc1ccccc1 40763363 UIYIMHKXCVANRW-KRWDZBQOSA-N 377.481 3.145 0 1 GGAF O=c1[nH]c2nonc2nc1Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 1911571804 YUMSCHRTSOMVBK-UHFFFAOYSA-N 395.219 3.010 0 1 GGAF CCNC[C@H]1[C@H]2C=C[C@@H]3N([C@H]2[C@@H](c2ccc(C=O)cc2)C2CCCCC2)[C@@]31O 85547854 PZVOQJJAHWFYHS-LHOMVFKOSA-N 380.532 3.330 0 1 GGAF biogenic,in-vitro O=C(NCC1CCCCC1)c1cnc(N2CCOCC2)nc1-c1ccccc1F 82151129 LDQWDJGYRCNUDV-UHFFFAOYSA-N 398.482 3.429 0 1 GGAF Cc1ccn(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)cc2)n1 45368508 WKVMEWATYXVAHZ-UHFFFAOYSA-N 377.375 3.381 0 1 GGAF COc1cccc(OC2CCN(c3nc4cnncc4nc3NC(C)C)CC2)c1 144475924 WYDJSEBYPBJOAM-UHFFFAOYSA-N 394.479 3.297 0 1 GGAF 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Cc1ccc(-c2cccc3c2O[C@H](CNC(=O)CSc2ncccn2)C3)nc1 11912986 XLPIDOIZBJUAEI-INIZCTEOSA-N 392.484 3.059 0 1 GGAF COc1ccc(Cc2nc3ccc(C(=O)N4CC[C@H](N(C)C)C4)cc3o2)cc1 11946307 KQZBHKVQRMDTAK-KRWDZBQOSA-N 379.460 3.203 0 3 GGAF CCOC(=O)c1c(N2CCN(Cc3ccccc3)CC2)[nH]c2ccc(O)cc12 14978445 JPYOCKHMSUGYGL-UHFFFAOYSA-N 379.460 3.372 0 1 GGAF C[C@H]1CCCC[C@H]1NC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 15895077 AGWNTSAXKRGTBH-XGAXWPDCSA-N 378.472 3.307 0 1 GGAF CC(=O)Nc1ccc2c(c1)C[C@H]1CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccccc1 169241133 RNRCQICMAYSEFP-CBGDNZLLSA-N 384.501 3.117 0 1 GGAF CCOc1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1F 169709866 ULPAFWCRABOUIG-KBXCAEBGSA-N 387.455 3.474 0 1 GGAF O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1)N1CCOCC1 768749 OQEKELFQJCYOAC-RDJZCZTQSA-N 376.865 3.352 0 1 GGAF CC[C@H]1CCCCN1CCCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C 4930676 NFVVUWPGKBLSKU-INIZCTEOSA-N 394.519 3.404 0 3 GGAF CNC(=O)Nc1c(OC[C@@H](C)N2CCCCC2)c(OC)c2occc2c1OC 29406702 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COc1cc(C2=C(c3c(C)[nH]c4ccccc34)C(=O)NC2=O)cc(OC)c1OC 13681654 QEGOPWISUFAVIK-UHFFFAOYSA-N 392.411 3.069 0 1 GGAF O=C(C1CCN(c2cc(O)n(-c3cccc(Cl)c3)c2O)CC1)N1CCCC1 169691760 RYSPLOSCPJYASS-UHFFFAOYSA-N 389.883 3.381 0 1 GGAF COC(=O)c1ccc2nc(CO[C@@H]3CN(Cc4ccccc4C)C[C@H]3F)[nH]c2c1 2356299296 FABFUYUARHPDBZ-YLJYHZDGSA-N 397.450 3.397 0 1 GGAF Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(C3CCCC3)c12 27994427 OGVLWYXNJLXFRD-UHFFFAOYSA-N 376.464 3.163 0 1 GGAF COc1cc(CC[C@H](C[C@H](CCC[C@@H](C)O)OC(C)=O)OC(C)=O)ccc1O 2356511284 FFDQTZNFWHSXQO-MDASCCDHSA-N 396.480 3.138 0 1 GGAF CC=C1CN2[C@H]3C[C@@]45C(=Nc6c(OC)cc(OC)c(OC)c64)OC[C@@H]3[C@H]1C[C@@H]25 2356605023 OYIKZKUMGCIROX-OAQLSHMXSA-N 382.460 3.063 0 1 GGAF CC(=O)Nc1ccc(C(=O)Nc2cccc(C)c2N2CCC3(CC2)OCCO3)o1 62241981 MXIMLBXMMQOIHB-UHFFFAOYSA-N 399.447 3.142 0 1 GGAF CO[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O 34717745 CQPXKOPODPJAKY-GOSISDBHSA-N 382.416 3.309 0 1 GGAF O=C(NC1CCN(Cc2cccc(F)c2)CC1)c1cc(=O)c2ccc(F)cc2o1 36126715 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C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cc(F)c2[nH]1 586961329 HIQBEPBEEZNNBA-RXMQYKEDSA-N 384.234 3.396 0 1 GGAF N[C@H](N=O)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587117866 HJCYBSXQICNUDH-CQSZACIVSA-N 391.313 3.205 0 1 GGAF CC(=O)c1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C 587581762 MJWMKMTVDDHSAF-DYESRHJHSA-N 378.384 3.205 0 1 GGAF O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 587335794 OYIOHDDDKSNNKD-DENIHFKCSA-N 398.361 3.236 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Oc3cc(O)ccc32)N1 587843609 SVVLYQDVIJZBGS-YYSFKGJASA-N 392.224 3.381 0 1 GGAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587094375 QTJPIYITZJQORF-YFKPBYRVSA-N 394.147 3.153 0 1 GGAF COc1cc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ncn1 587589498 XCOVHYZRYXJWIK-WIYYLYMNSA-N 378.384 3.154 0 1 GGAF COc1ccc([C@@H]2NCCc3c(C(=O)O)cccc32)cc1CN1CCSCC1 963118321 BUPREJHUQZVKKQ-NRFANRHFSA-N 398.528 3.177 0 1 GGAF CC1(OC(=O)N2CCC3(CC2)C[C@@H]3CNC(=O)N2Cc3ccncc3C2)CCC1 1772599217 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O=C(O)CCC/C=C\C[C@@H]1[C@H](/C=C/[C@H](O)C2CCCCC2)[C@@H]2O[C@@H]1[C@@H]1O[C@@H]21 195140245 BLPTUHHFIMEDBU-ODPKEGMASA-N 376.493 3.466 0 1 GGAF Cc1cc([C@@H]2CN(c3ncnc4[nH]cc(-c5cccc(C#N)c5)c34)CCO2)on1 216472536 INGQNVFEYJPJFN-SFHVURJKSA-N 386.415 3.371 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)C[C@@H]4CCCO4)ncc23)ccn1 261156436 QBDMWBDEIGCWPX-HIFRSBDPSA-N 380.452 3.407 0 1 GGAF COc1cc(Br)cc(C=O)c1OCc1nc2c(C)nccc2[nH]1 586980269 MLBTXXFPIDZUIJ-UHFFFAOYSA-N 376.210 3.429 0 1 GGAF Cc1ccc2c3c(c4c(nc13)CC[C@H]1[C@@H]4CN[C@H]1C(=O)O)-c1ccccc1C2=O 587097838 SWXVOKYTGLJBPA-UMLSUDCWSA-N 384.435 3.457 0 1 GGAF CN(C)S(=O)(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587151778 ISPBFFIKMXKAIX-STQMWFEESA-N 377.416 3.363 0 1 GGAF C[C@]1(/C=C/N2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342703 GTDCSHHQDPETDE-ITGJNFKXSA-N 383.419 3.495 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346515 JEJIWHBIMUCQCB-WIYYLYMNSA-N 386.375 3.171 0 1 GGAF 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587593966 GFBMIVOENVVGQN-TXMSPNAISA-N 380.396 3.312 0 1 GGAF Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnc2nncn12 587774918 OHCSOQJTLSEAKI-VVVCHXIZSA-N 390.260 3.132 0 1 GGAF CC(C)(C)OC(=O)N[C@@H]1COc2ccccc2[C@]12NCCc1ccc(O)cc12 963354359 WTSRNXRYPYTYLQ-DENIHFKCSA-N 382.460 3.067 0 1 GGAF Cc1c(O)ccc2c1C1(CCN([C@H](C)Cc3ccccc3)CC1)N[C@H](C(=O)O)C2 963512504 WYLRZAWHIQMCCQ-UZLBHIALSA-N 394.515 3.222 0 1 GGAF CCOC(=O)c1c(N)oc(C)c1[C@@]1(C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963630122 BQIUBTNSAWZGGX-WIUDPPPLSA-N 388.464 3.162 0 1 GGAF CCN(CC)c1n[nH]c2cc(NC(=O)N[C@H](COC)c3ccccc3)ncc12 1772583553 CFBSQYVHGRBAGX-QGZVFWFLSA-N 382.468 3.313 0 1 GGAF COCCNC(=O)CCSc1nnc(-c2ccc(Cl)cc2Cl)o1 1857556137 GRMDXTNCFQFZPB-UHFFFAOYSA-N 376.265 3.288 0 1 GGAF CC[C@@H]1Cc2cc(OCC(F)F)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857774902 RXPGGSWAEXBXNH-LLVKDONJSA-N 379.359 3.373 0 1 GGAF CCc1nn([C@H](C)C(=O)N[C@H](C)CCc2ccco2)c(=O)c2cc3occc3n12 4034859 QBDMSRDFZMFARG-ZIAGYGMSSA-N 396.447 3.096 0 3 GGAF O=C1CC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)CN1CC1CCCCC1 12303783 ZGNYROFVZMTCAB-HXUWFJFHSA-N 383.536 3.154 0 3 GGAF O=C1[C@@H](CCc2ccccc2)ON=C(c2cnccn2)N1Cc1ccc(F)cc1 61928018 FMAAONTZPUFQKX-HXUWFJFHSA-N 390.418 3.338 0 3 GGAF CCc1nc2ccc(C(=O)NCc3cccs3)cn2c1N(CC)CCOC 61927345 CVIFAYAXMIRDES-UHFFFAOYSA-N 386.521 3.361 0 3 GGAF CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 27898849 ONLWBMSOAUIVEA-UHFFFAOYSA-N 385.228 3.320 0 1 GGAF N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccnc3ccccc23)CC1 64540813 OCTVWEVIBKBYAN-LJQANCHMSA-N 394.906 3.107 0 1 GGAF C[C@@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCN(c2ccccc2)CC1 2356303055 KWYNVNIKOQBZCS-OAHLLOKOSA-N 395.434 3.496 0 1 GGAF CC(=O)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@](C)(CCC(=O)O)[C@H]([C@H](C)O)[C@@H](O)C3 2356507828 IEJVINWWLWBFGT-CSEKJYRISA-N 378.509 3.331 0 1 GGAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@H]3CNC(=O)Nc2ccsc2)CC1 2356536308 IUZYHWZODMTJGQ-SCTDSRPQSA-N 376.570 3.312 0 1 GGAF COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1 35847425 MJXVEMJWXWSIKH-UHFFFAOYSA-N 389.818 3.039 0 1 GGAF Cc1nc2cnccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1 40411094 AWUZLCXWWVAKEM-UHFFFAOYSA-N 390.487 3.485 0 1 GGAF CCc1cccc2nc(-c3cccnc3N3CCC(C(=O)O)CC3)oc(=O)c12 43079851 QFDBVLBYGMSMEU-UHFFFAOYSA-N 379.416 3.113 0 1 GGAF COCCOc1cc(C)c2c(c1C)[C@H](O)[C@H]([C@@H](C)C(=O)N1CCCC1)CC2 25206002 HXCUJONCFQGFQG-FYINFDKHSA-N 375.509 3.183 0 1 GGAF biogenic C=CCN(C)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)Cc3sc(N)nc3[C@H](C)[C@H]2[C@@H]1O 36356154 FBDAUKFOQZIGLW-IKLRZIGCSA-N 377.554 3.059 0 1 GGAF biogenic COc1cc2c3c(c1)O[C@H](c1ccccc1OCC(=O)NCC1CC1)[C@@H](C2)C3=O 587433517 RVURBICIMCJVCG-GAJHUEQPSA-N 393.439 3.089 0 1 GGAF CCCc1c(O)ccc2c1O[C@H](c1cnc(NC[C@H]3CCCO3)nc1)CC2=O 587470398 MIXLEXDBVLIDTE-KUHUBIRLSA-N 383.448 3.432 0 1 GGAF Cc1cc(=NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]o1 587740640 DRLOZRZXQRWXNQ-VVVCHXIZSA-N 396.260 3.085 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)OC(C)(C)C)(Cc1ccncc1)O2 587388254 ZDQUQPSRIDBKFI-QFIPXVFZSA-N 397.475 3.444 0 1 GGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(OC)c(C)cc2[nH]1 586965333 NOMAMVCCCMBMAG-UHFFFAOYSA-N 397.508 3.337 0 1 GGAF CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=CN1C 587762735 ZZSVGKFBUBBWDA-XYZCENFISA-N 381.245 3.135 0 1 GGAF CCCc1c(O)ccc2c1O[C@](C)([C@H](CC(=O)OCC)C(=O)OCC)CC2=O 587483476 QLUSLPXDCZQTIF-VFNWGFHPSA-N 392.448 3.201 0 1 GGAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(-n4cccn4)c(F)cc3[nH]1)C2 587247739 YEISOPYHFHFYOO-OAQYLSRUSA-N 377.423 3.239 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)OC(C)(C)C)(C1CCOCC1)O2 587387169 NTWXODVRXNQVLK-NRFANRHFSA-N 390.480 3.233 0 1 GGAF CCCS(=O)(=O)N1CCC(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CC1 586951927 BSAVUPQQUGLUDU-UHFFFAOYSA-N 377.844 3.414 0 1 GGAF O=C1CSC[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)N1 587044540 XXYFIZGVLOURCL-MRVPVSSYSA-N 396.188 3.128 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC(=O)O)(c1ccc3c(c1)OCCO3)O2 587406924 FSZRLRCIANVEKK-QFIPXVFZSA-N 397.427 3.464 0 1 GGAF COc1cccc([C@@H]2C=C(c3ccc(C)cc3)NN2C(=O)CCC(=O)O)c1OC 957698192 FNYMXLUIWRVRBY-SFHVURJKSA-N 396.443 3.306 0 1 GGAF O=c1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1C1CCCC1 13641478 XVSUOCNNMBYUKO-UHFFFAOYSA-N 390.491 3.060 0 1 GGAF CN(C[C@@H](N)CCCN)C(=O)C(CCc1ccccc1)CCc1ccccc1 1857550568 VLWSMYYQZMWELT-QHCPKHFHSA-N 381.564 3.393 0 1 GGAF O=C(COc1ccc(-c2nc(=O)c3ccccc3[nH]2)cc1)NC1CCCCC1 1857591570 CZVMLARHXRHNMB-UHFFFAOYSA-N 377.444 3.418 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCN(CC)CC 4152504 SQUASKQHWHZGIM-TZIWHRDSSA-N 399.491 3.228 0 1 GGAF C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@H](OC(C)=O)CC=C(C)[C@@H]21 5132575 TURJFYBHQNTMCA-DZKNJIKXSA-N 390.476 3.494 0 1 GGAF Cc1ccccc1N1C(=S)N[C@@H]2c3ccccc3O[C@@]1(C)[C@H]2C(=O)N(C)C 13497269 WNRLPWIGXSHMCP-OPYAIIAOSA-N 381.501 3.244 0 1 GGAF CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3c(-c3cccs3)ccc2=O)CC1 25431392 XJAJRBQPUZZXKC-SJORKVTESA-N 397.544 3.007 0 1 GGAF biogenic CCN(CC)CCN1C(=O)[C@H](O)N=C(c2ccccc2)c2cc(Cl)ccc21 26150302 ZWSGOLFCUGUBGZ-FQEVSTJZSA-N 385.895 3.184 0 1 GGAF CCOC(=O)[C@H](CNC(C)=O)c1cn(C(=O)OCC)c2cc(Cl)ccc12 27849393 VFERSVAHABNQLZ-CQSZACIVSA-N 380.828 3.082 0 1 GGAF CN(C)C(=O)[C@@H](N)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 29127727 GITLEYILXCMHQX-IBGZPJMESA-N 394.500 3.338 0 1 GGAF COc1ccc(CNC(=S)[P@](=O)(O)[C@@H](N)CCc2ccccc2)cc1 40866088 BJGMBDNUDGJYDR-QGZVFWFLSA-N 378.434 3.258 0 1 GGAF CC(C)S(=O)(=O)c1ccc2[nH]c(N3CCO[C@@H](c4ccccc4)C3)nc2c1 95576136 KRNDNXJDJOWMSY-LJQANCHMSA-N 385.489 3.323 0 1 GGAF COC(=O)c1cc(Br)cnc1N1CC[C@H](NC2CCCCC2)C1 169303682 JOYRSQQCLWAALH-AWEZNQCLSA-N 382.302 3.132 0 1 GGAF CCCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169360782 ZQHVKFMMNIRWPN-XTFGJOLRSA-N 395.499 3.006 0 1 GGAF COc1ccc2c(c1)[C@H](O)C(=O)[C@@H](c1ccc(OC)c(Br)c1)O2 169690316 VNARNCLQMGHYSY-DOTOQJQBSA-N 379.206 3.203 0 1 GGAF CC(C)c1cccc(NC(=O)c2cc(N3CCc4nc(N)ncc4C3)ccn2)c1 169710063 SAXNLRSYOCEWCI-UHFFFAOYSA-N 388.475 3.392 0 1 GGAF O=S(=O)(N[C@H]1[C@@H]2CC[C@]1(CO)Cc1ccccc1C2)c1ccc(Cl)s1 195137775 GYBDFFZMKZVVPY-JEBQAFNWSA-N 397.949 3.236 0 1 GGAF CC(=O)O[C@H]1C[C@H](C)[C@@](O)(CCC2=CCNC2=O)[C@]2(C)CCCC(C)(C)[C@@H]12 238733978 LTVWDGPECBUWSM-QXGXDSNISA-N 377.525 3.358 0 1 GGAF CC(C)N1CC([N+](=O)[O-])=C2N(C[C@@H]3CCC[C@H]3N2Cc2ccc(Cl)nc2)C1 299847981 ZMVBXAQMCRBSAB-JKSUJKDBSA-N 391.903 3.149 0 1 GGAF COc1ccc(CCC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1OC 473148679 GXZBAYCWADAORP-UHFFFAOYSA-N 396.531 3.416 0 1 GGAF COc1cc(OC)c2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2c1 586928745 JGLXKBQGZUZKIQ-UHFFFAOYSA-N 395.868 3.054 0 1 GGAF O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cnncc3[nH]2)CC1 586955529 ZTIBNRJMLHLMBM-UHFFFAOYSA-N 393.472 3.074 0 1 GGAF CN(C)C(=O)c1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984949 WNZAZZDTCCFZJM-CQSZACIVSA-N 387.281 3.270 0 1 GGAF O=C(Nc1nc(Cc2nc3c(Cl)ncnc3[nH]2)cs1)c1cccc(O)c1 587018892 BGJANWFCUSJOLP-UHFFFAOYSA-N 386.824 3.012 0 1 GGAF CC(C)(C)c1ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2n1 587204360 XCKMMQMLZHUBMR-HNNXBMFYSA-N 396.447 3.178 0 1 GGAF CCOc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1OCC(=O)O 587441970 NBKYWRSDUIARCJ-JLTOFOAXSA-N 384.384 3.046 0 1 GGAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(S(N)(=O)=O)ccc1C)CC2=O 587488186 PIEDDASQZJNUIP-FQEVSTJZSA-N 389.473 3.181 0 1 GGAF CC(=O)Nc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581666 WYNJHOLKIOQLDA-PXNSSMCTSA-N 376.368 3.449 0 1 GGAF O=C1COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2N1 587591338 CGUFKKYDJDFDPK-SIKLNZKXSA-N 389.363 3.426 0 1 GGAF COc1ccccc1N1CCN(c2ncnc3c2cnn3C2CCCC2)CC1 653719124 WEDVUYSNJHNVQD-UHFFFAOYSA-N 378.480 3.277 0 1 GGAF CC[C@H](C)Cn1c(-c2c(F)cccc2F)c(Cl)nc(-n2nccn2)c1=O 653796375 BYSGTDFZCBKHPE-JTQLQIEISA-N 379.798 3.469 0 1 GGAF COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N1CCCC1 653905139 FLFASVKBTAVYBG-ATVHPVEESA-N 378.428 3.189 0 1 GGAF CCCCNC(=O)COc1ccc(-c2nc(O)c3ccccc3n2)cc1OC 1857599227 ZDXXHGCGMOPSSA-UHFFFAOYSA-N 381.432 3.306 0 1 GGAF CCCc1ccc(OCC(=O)N(CCNC(=O)Nc2cccnc2)C(C)C)cc1 1857603930 RMVQIVSRQYQMAN-UHFFFAOYSA-N 398.507 3.472 0 1 GGAF COc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC(=O)[C@H]23)cc1OC 1911572475 RKEFSUNLQHLAGZ-YGHPHNMRSA-N 384.384 3.034 0 1 GGAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@H]2[C@H]1[C@@H]1C[C@@]3(C)O[C@@](C)(CC[C@H]3O)[C@@H]2O1 2356441521 WDBWGFYTOQTQAN-COZVTJBUSA-N 380.525 3.466 0 1 GGAF CC=C1CN2[C@H]3C[C@@]45C(=Nc6c4cc(OC)c(OC)c6OC)OC[C@H]3[C@H]1C[C@@H]25 2356691466 KQEBWWUZXARNSU-MMWQRQMDSA-N 382.460 3.063 0 1 GGAF CCC[C@@H](NS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)c1cccs1 6920313 NTUCDNWLZLXIGS-GFCCVEGCSA-N 395.531 3.380 0 3 GGAF CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)NCCOCCO 2483920 LGIHLVGKXGTQTA-UHFFFAOYSA-N 384.835 3.170 0 1 GGAF CN(C)c1ccc(-c2nnc(-c3cccc(I)c3)o2)cn1 103298392 SFJFWWCABWHCLD-UHFFFAOYSA-N 392.200 3.469 0 1 GGAF Brc1cccc(CN[C@@H]2[C@H]3[C@H]4[C@@H]5[C@@H]6C[C@H]4[C@@H]2[C@H]6C2(OCCO2)[C@H]53)c1 101263656 WAUBOCWMTBAXMK-JCAJLPAISA-N 388.305 3.038 0 1 GGAF O=C(NCCCCN1C[C@H]2CC[C@@H]1C2)c1ccc(I)cc1 28702608 FLTWPLPSPPBJFQ-XJKSGUPXSA-N 398.288 3.286 0 1 GGAF N#CN=[S@@](=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cccnc1 1911573668 BTNVNDWLDGUCMY-HHHXNRCGSA-N 381.461 3.104 0 1 GGAF COc1ccccc1CCNC(=O)c1cnc(N2CCCC2)nc1-c1ccco1 82142996 FYQUEFGEWLZBHD-UHFFFAOYSA-N 392.459 3.318 0 1 GGAF O=C1CN=C2C3=C(N=C(c4ccccc4)N12)N(c1ccccc1)C(=O)N1CCC[C@H]31 45260271 GVNDVULYKUKBJE-QGZVFWFLSA-N 397.438 3.004 0 1 GGAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NCCc1ccc(O)cc1 82203816 OEGCBZWULYCGGN-UHFFFAOYSA-N 381.524 3.210 0 1 GGAF CN(C(=O)Cn1c(=O)n2c3c(cc(-c4ccncc4)cc31)CCC2)c1ccccc1 95589360 CUMJSUUBUGLRRR-UHFFFAOYSA-N 398.466 3.474 0 1 GGAF O=C(N[C@@H]1CCC[C@H]1O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 140308980 TWSSCEDFIRFLNF-QZTJIDSGSA-N 397.406 3.098 0 1 GGAF CCC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 95666864 HBPARTOBZDTARE-QZNHQXDQSA-N 396.531 3.236 0 1 GGAF CC(=O)Nc1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)cc1 95582790 PPNKCCFLRSKXHD-UHFFFAOYSA-N 387.399 3.198 0 1 GGAF Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4cccc4)C[C@H]32)n1 261184769 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CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cnncc3[nH]2)c1 587047928 CKIPGWHBKWWHBB-UHFFFAOYSA-N 386.843 3.316 0 1 GGAF Clc1cnn(COc2cccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)c1 587081913 IVYMEGYPWQQPEJ-UHFFFAOYSA-N 392.810 3.092 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C(=O)N(C)c4c(C(F)(F)F)cccc41)[C@@H](C2)C3=O 587421367 KGHINMGMHYNDFE-ORAYPTAESA-N 389.329 3.333 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4nc(O)c(C(=O)O)cc41)[C@@H](C2)C3=O 587436342 OCRJGHSSTJRSSE-RCDICMHDSA-N 395.411 3.109 0 1 GGAF O=Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C=O)c1O 587608563 LPNKJPZXMQVZTC-GCJKJVERSA-N 390.347 3.426 0 1 GGAF CSc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(=N)[nH]1 587841437 AXMBTPLJJYEGHE-UHLUBPPHSA-N 383.290 3.136 0 1 GGAF CCOC(=O)[C@]1(c2ccsc2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962622352 BSNCRGXJZGGBSK-RBZFPXEDSA-N 375.490 3.448 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@H](c3ccc(OC[C@@H]4CCCO4)cc3)c3cccc1c32 963033110 PNDIUFYVPOIGSK-WLENULPWSA-N 378.472 3.387 0 1 GGAF NS(=O)(=O)c1ccc(-c2nn3cc(-c4ccc(Cl)cc4)nc3s2)cc1 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JKPNKYJOWATELI-KKYRWEBSSA-N 384.435 3.457 0 1 GGAF N=c1nc(O)c2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2[nH]1 586975304 MGMVPGHIBNUFCL-UHFFFAOYSA-N 375.013 3.207 0 1 GGAF COC(=O)c1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587184241 GOTYRYAIDLMXMW-UHFFFAOYSA-N 379.157 3.016 0 1 GGAF O=C(NC[C@H]1CC12CCN(CCc1ccccc1)CC2)N1Cc2ccncc2C1 1772645306 PKLSBKOQCRVIEQ-JOCHJYFZSA-N 390.531 3.452 0 1 GGAF Cc1cccc(F)c1CN1C[C@H](c2ccc(S(C)(=O)=O)cc2)[C@@H](N(C)C)C1 1772612109 NLDUIPOKJBPSQV-CTNGQTDRSA-N 390.524 3.067 0 1 GGAF O=S(=O)(c1cccc(F)c1)c1cnc2c(F)cccc2c1N1CCOCC1 201535192 PFUVRCOPASHANN-UHFFFAOYSA-N 390.411 3.182 0 1 GGAF Cc1ccc2ncc(S(=O)(=O)c3ccc(C#N)cc3)c(N3CCOCC3)c2c1 201535645 MPPAITOIIVDNLN-UHFFFAOYSA-N 393.468 3.084 0 1 GGAF COc1ccc2nc(C[C@@H]3CN(C(=O)CC(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356328488 VXXRVINVYYKRET-HUUCEWRRSA-N 387.480 3.100 0 1 GGAF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4055067 BWFNWTQSSQPUDX-VYDXJSESSA-N 378.881 3.380 0 1 GGAF CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCCN1CCCC1=O 4214909 QFDCBJDKNHSKBF-VQTJNVASSA-N 389.496 3.422 0 1 GGAF O=C(Cn1c(O)c(C2=NC(=S)N=C2O)c2ccccc21)Nc1ccc(F)cc1 50157627 SMNZOEVTBBMEOJ-UHFFFAOYSA-N 396.403 3.169 0 1 GGAF C[C@H](C[C@@H](O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 118924514 KIBSVJDSQSAPPG-HQHSQCRBSA-N 394.596 3.356 0 1 GGAF CC(=O)O[C@@H]1CC[C@@](C)(O)C=C[C@@](O)(C(C)C)CCC2=CCC[C@@]1(C)OC2=O 2356793942 KUOWRTRXMGVVIW-ZHHKINOHSA-N 394.508 3.209 0 1 GGAF O=C(C1CCC1)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72186294 XRLQKJNHVXWJPO-IBGZPJMESA-N 388.874 3.303 0 1 GGAF c1ccc2c(NCCCn3ccnc3)nnc(NCCCn3ccnc3)c2c1 95578076 UJJHMFSKYROBLB-UHFFFAOYSA-N 376.468 3.027 0 1 GGAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CN(CC)C(C)=O 95895665 MMLZWAGEOSIZAZ-FIXSFTCYSA-N 394.515 3.287 0 1 GGAF O=C(N[C@H]1CCC[C@H]1C(=O)O)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 95597063 OPOPYFWSNGVSOW-KGLIPLIRSA-N 391.855 3.067 0 1 GGAF O=C(Nc1ccc(N2CC[C@@H](C(=O)O)CC2=O)cc1)c1cc2ccccc2[nH]1 653837581 AKTUQVQCQAUQPO-CQSZACIVSA-N 377.400 3.248 0 1 GGAF NC(=O)Nc1ccc(-c2nc3c(I)cccc3[nH]2)cc1 587243241 HQCSFIHTGQVFOM-UHFFFAOYSA-N 378.173 3.325 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Oc3cc(OCC(=O)O)ccc31)O2 587407210 BBYXLZJRFYRZBB-JOCHJYFZSA-N 397.427 3.462 0 1 GGAF CSc1ccc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c2c1 587024202 QCYHWNYALXOPRX-UHFFFAOYSA-N 377.495 3.496 0 1 GGAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(C)cc4[nH]3)c2)o1 586923836 XNWZJUWTTGKPHT-UHFFFAOYSA-N 382.445 3.458 0 1 GGAF CCOC(=O)[C@@]1(c2ccc[nH]2)N[C@H](C)Cc2cc(Br)c(F)cc21 587789383 DAIVYQYSCHVFGG-BMLIUANNSA-N 381.245 3.257 0 1 GGAF C[C@H](NC(=O)CC(F)(F)F)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587093480 FHCRZXKGXURSCV-VKHMYHEASA-N 375.660 3.106 0 1 GGAF COC1=COC(CO)=C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357209 SYIBJGJMTKNROX-CTNGQTDRSA-N 384.359 3.023 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](S(C)(=O)=O)C2)N1 587850843 SPAGQYQKPJDNBA-XAGWURHQSA-N 390.318 3.305 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)CCC(=O)O)c1)[C@@H](C2)C3=O 587433752 VUUQPRQNVDYZJJ-KSFYIVLOSA-N 395.411 3.161 0 1 GGAF CC(C)c1nn(C)c2c1[C@@]1(CC(=O)C[C@@H](c3ccc4c(c3)OCO4)C1)NCC2 962916753 FEOXTTCIWWNYFF-IVZQSRNASA-N 381.476 3.150 0 1 GGAF Cc1cc2c(cc1O)[C@@](c1ccccc1CN1CCC1)(C1CC1)N[C@H](C(=O)O)C2 963547385 BLEXMGSGEJESLN-URXFXBBRSA-N 392.499 3.159 0 1 GGAF COc1ccccc1C[C@@H]1N2CCC(CC2)[C@@]12NCCc1c2c(C(C)C)nn1C 962914229 DOFYEIYPSXHCBF-XUZZJYLKSA-N 394.563 3.230 0 1 GGAF Cc1cn2cc(-c3ccc4c(c3)OC(=O)N(C3CCNCC3)C4)nc2c(C)n1 1772647600 WPWFSGBTNJUWQU-UHFFFAOYSA-N 377.448 3.080 0 1 GGAF COc1cc2c(cc1OC)-c1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 5053057 KMLPLPOAFAPFFE-HNNXBMFYSA-N 385.460 3.482 0 1 GGAF biogenic CN(C)C(=O)n1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccc(F)cc21 13737545 SZVLRTNGEYQGMF-QFBILLFUSA-N 398.463 3.292 0 1 GGAF Nc1ncnc2c1C(=O)N(c1ccc(-c3c(F)cccc3F)c(F)c1)CCO2 169324844 LCRUINFYUIHFMU-UHFFFAOYSA-N 386.333 3.182 0 1 GGAF O=C(c1ccc(Cl)cc1Cl)[C@@]1(n2cncn2)Oc2ccccc2[C@@H]1O 1504270 WJHUOYXIBZLMEM-DLBZAZTESA-N 376.199 3.247 0 3 GGAF COc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)ccc1OCCN1CCOCC1 1857596399 XDCQFLAHVLJYKC-PDGQHHTCSA-N 398.434 3.038 0 1 GGAF CCCCCNC(=O)CNC(=O)c1ccccc1SCOC(=O)CCC 1857600143 SGPQKIWLQRGVBA-UHFFFAOYSA-N 380.510 3.116 0 1 GGAF CCC=CC[C@H](O)[C@H](O)C=CC=CC=CC=C[C@@H](O)CC=CCCC(=O)O 2356345021 IKFAUGXNBOBQDM-QHAWAJNXSA-N 376.493 3.461 0 1 GGAF C[C@@H](CN1CCN(C)CC1)Oc1c(Br)cccc1Br 103295513 PLHQXQUGSJBBTM-NSHDSACASA-N 392.135 3.226 0 1 GGAF COc1ccc(-c2nc(CN3CCN(c4ncccn4)CC3)c(C)o2)cc1C 55198780 WCBGFHOFHRVBQZ-UHFFFAOYSA-N 379.464 3.079 0 3 GGAF CC(=O)N1CCc2cc([C@H](O)CN3CCN(c4cccc(C)c4C)CC3)ccc21 20287262 OLVUEKKSJJIYNK-XMMPIXPASA-N 393.531 3.068 0 1 GGAF Cc1ccnnc1N1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 28456021 TZEASOQQKYRPBM-UHFFFAOYSA-N 381.358 3.038 0 1 GGAF CC(C)(C)CCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1cnc2ccccc2c1 27216559 RTXDHERSXBBNIA-SFHVURJKSA-N 399.491 3.141 0 1 GGAF CO[C@H](CO)[C@@H](c1[nH]c2ccccc2c1CC(=O)O)c1c[nH]c2ccccc12 2356718152 MQRYPXXPMWCWNO-CTNGQTDRSA-N 378.428 3.416 0 1 GGAF Cc1nn(Cc2ccc(NC(=O)NCc3ccccc3)cc2)c(C)c1CC(=O)O 113989179 LOOCLDJGANXIRY-UHFFFAOYSA-N 392.459 3.497 0 1 GGAF CCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)[C@@H]1c1[nH]c(CC)nc1Cl 35847719 HSUSRPPQUJSMEU-HNNXBMFYSA-N 395.887 3.377 0 1 GGAF Ic1ccc(O[C@@H](c2ccccc2)[C@H]2CNCCO2)cc1 45301722 SFIZDMBLVRMOCD-SJORKVTESA-N 395.240 3.400 0 1 GGAF in-vivo CCNC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1 142234949 FACCLWDZUOAPCB-AWEZNQCLSA-N 381.480 3.002 0 1 GGAF COc1ccc(Nc2ccc(S(=O)(=O)NCC3CC3)c(C)c2)c(OC)c1 145091713 GGGQKRXVKATGKO-UHFFFAOYSA-N 376.478 3.444 0 1 GGAF Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@H](COc3ccc(F)cn3)C2)c1 146464149 DNLONETYZDCELL-INIZCTEOSA-N 395.438 3.041 0 1 GGAF C[C@@]1([C@H](O)CO)C=C[C@@H]2[C@@H](CC[C@H]3[C@H]2CC[C@H]2[C@](C)(CO)C[C@H](O)C[C@]32C)C1 238746551 QJZOWGAARKUAKT-KJYSVUMTSA-N 392.580 3.134 0 1 GGAF O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F 95794426 BJYSSVMXHLTPLG-FGZHOGPDSA-N 394.490 3.167 0 1 GGAF COc1cc2c(cc1O)[C@@H]1O[C@@H](OC)c3c(ccc4c3OCO4)[C@H]1N(C)CC2 257496150 NRJVOXUCVMTVSZ-SVFBPWRDSA-N 385.416 3.075 0 1 GGAF endogenous,in-man COc1cc(O)c2c(=O)c(OC)c(-c3cc(OC)c(OC)cc3OC)oc2c1 59766678 ISPSTOKDVQHMIJ-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic CCN(c1ccc(-c2csc(CCn3ccc(C)n3)n2)cc1)S(C)(=O)=O 587922892 HNGJWIKLXKPIBM-UHFFFAOYSA-N 390.534 3.344 0 1 GGAF Cc1cc(Br)cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc12 586939408 OAGZOIXHIOTSNB-UHFFFAOYSA-N 397.298 3.316 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(N)ccc(N)c21 587390606 ODXZQXZZMYZIQQ-HSZRJFAPSA-N 385.423 3.195 0 1 GGAF COC(=O)c1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2n1 587029150 IMAVFACDEBWBLD-UHFFFAOYSA-N 390.428 3.266 0 1 GGAF COC(=O)Cc1ccccc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587782929 ASCUXPLUMTZVDP-UHFFFAOYSA-N 389.205 3.406 0 1 GGAF C[C@@]1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)C=C(c2ccccc2F)NO1 587158358 WQWCOFVRHYQIHW-QFIPXVFZSA-N 394.450 3.325 0 1 GGAF COc1cc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ncn1 587589496 XCOVHYZRYXJWIK-NQIIRXRSSA-N 378.384 3.154 0 1 GGAF O=C(NCc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1cccc(C(F)(F)F)c1 587111547 LBUIDCKWSMGLTQ-UHFFFAOYSA-N 375.310 3.094 0 1 GGAF O=C(NCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)OCc1ccccc1 587227881 BTEYDXVAQIGYOJ-UHFFFAOYSA-N 399.760 3.446 0 1 GGAF CCOC(=O)COc1cccc([C@]2(C)N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1 963640497 WECXACQSIUUEPU-WNSKOXEYSA-N 399.487 3.443 0 1 GGAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@]2(CCCCc3c[nH]cc32)N1 962635001 NNDMGBFOKYPVGF-KSSFIOAISA-N 380.366 3.482 0 1 GGAF C[C@@]1(c2cnn3ccccc23)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973124 UXDPAHFCVVZLGA-ACJLOTCBSA-N 377.778 3.128 0 1 GGAF CC(=O)NCCC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 11771852 BLNSLVQQGICVBF-NRFANRHFSA-N 378.472 3.301 0 1 GGAF Cc1ccc(C(=O)[C@H]2[C@@H](c3cccs3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 13115926 UCMYEYOMPOHFNP-IOASZLSFSA-N 384.379 3.160 0 1 GGAF CC(C)(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1ccco1 13143047 MOGZQUYGWOBQHJ-YJXLLHPSSA-N 394.464 3.003 0 1 GGAF CC(C)C(=O)N(CC(=O)O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 13682569 GYANMDJLAZMXIM-UHFFFAOYSA-N 387.276 3.072 0 1 GGAF Cc1csc([C@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(C(N)=O)(C5)C4)C2)n1 205399465 FXWMSEJMQRUSSR-UNCPFUEXSA-N 389.521 3.058 0 1 GGAF O=c1c2ccccc2nnn1Cc1ccc[n+](Cc2c(Cl)cccc2Cl)c1 1857561118 FOTZUQGVQHWUOP-UHFFFAOYSA-N 398.273 3.482 0 1 GGAF CCCCC[C@@H](O)CCCN(CCCc1ccc(C(=O)O)cc1)S(C)(=O)=O 27083621 MPZHMBQFXTWUTF-LJQANCHMSA-N 399.553 3.300 0 1 GGAF CC1CCN(C(=O)CN2C(=O)CN=C(c3ccccc3)c3ccccc32)CC1 4972133 UBCODLHVAPTUMU-UHFFFAOYSA-N 375.472 3.129 0 1 GGAF CC(=O)Nc1ccccc1C[S@](=O)c1nc2c(n1-c1ccccn1)CCC2 13746318 QXQYLRXBVGEHIL-HHHXNRCGSA-N 380.473 3.022 0 1 GGAF COC(=O)c1cn2ncnc(Nc3ccc(Br)c(O)c3)c2c1C 28130625 PCZMZPUXORFNIP-UHFFFAOYSA-N 377.198 3.036 0 1 GGAF COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccc(F)cc3C)CC2)cn1 45347673 TXUAASRHJQYVLZ-UHFFFAOYSA-N 397.454 3.475 0 1 GGAF COc1cc2c(cc1OC)[C@H](O)C[C@H](NC(=O)C(F)(F)F)c1cc(O)ccc1-2 84615010 OJFQSHMUCHHBPR-LSDHHAIUSA-N 397.349 3.233 0 1 GGAF CC(C)C[C@H]1COCc2cn(nn2)CC[C@@H](Cc2ccc(Cl)cc2)C(=O)N1 95661822 INWBHXLTXVZQBY-WMZOPIPTSA-N 390.915 3.242 0 1 GGAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1C1=CCN(C(=O)OC)C=C1 100050549 ZYXOSBBSTXEUCI-XMGGNUPJSA-N 390.436 3.242 0 1 GGAF COc1cccc(OC)c1C(=O)N1C[C@@H]2CN(c3nc4ccccc4o3)C[C@@H]2C1 116826675 GMRQPSLXKWCSAO-GASCZTMLSA-N 393.443 3.053 0 1 GGAF CNc1nc2c(C)ccc3nc(N(C)C)nc-3c2n1C/C=C/CCCC(=O)O 140456893 PMDGXSAZAHEGNW-SOFGYWHQSA-N 382.468 3.158 0 1 GGAF O=C(CC1CC1)N1CCC(CCCCNC(=O)N2Cc3ccncc3C2)CC1 166491538 BLTJJIAHZZKGRG-UHFFFAOYSA-N 384.524 3.316 0 1 GGAF CC(C)(CO)[C@@H](O)c1nc2cc(Br)c(Br)cc2[nH]1 586902452 KWGLWWVZOIXBGN-JTQLQIEISA-N 378.064 3.140 0 1 GGAF O=S(=O)(Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C1CCCC1 586924512 RFIZBZVNTUUAQY-UHFFFAOYSA-N 383.342 3.469 0 1 GGAF COc1cc(/C=C/c2nc3ccc(-n4cnnn4)cc3[nH]2)ccc1Br 586976993 JHMXCUGBXKAZMQ-XVNBXDOJSA-N 397.236 3.480 0 1 GGAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cnncc3[nH]2)c1 587050580 PJYUOTXJPMTARO-VOTSOKGWSA-N 384.827 3.397 0 1 GGAF CCOC(=O)[C@]1(c2cc(F)c(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422432 DJJWURZVKMUTSU-MPBGBICISA-N 392.329 3.319 0 1 GGAF CCCc1c(O)ccc2c1O[C@](C)(Cn1cnc3ccccc3c1=O)CC2=O 587488604 QPSOGRBRVISHQX-QFIPXVFZSA-N 378.428 3.479 0 1 GGAF Brc1cnc(Br)c2[nH]c(CCOCC3CC3)nc12 587785258 ZXKVNKZWDSZAHP-UHFFFAOYSA-N 375.064 3.452 0 1 GGAF COc1ccc([C@H](O)[C@@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653757165 REPWXBXTWYHLTB-ROUUACIJSA-N 387.432 3.059 0 1 GGAF CC(C)(C)OC(=O)n1cnc(C[C@H]2N=C3C[C@H]4C[C@H](C4(C)C)[C@@]3(C)OC2=O)c1 653825305 XTVPEBYXGGAIRS-NLNDQEADSA-N 387.480 3.400 0 1 GGAF CCOC(=O)C[C@@]1(C2CCOCC2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962557554 AFGCFUSFGWTDHN-IVZQSRNASA-N 391.508 3.155 0 1 GGAF CC(C)Oc1ccc(-c2nnc(-c3ccc4c(c3)C[C@@](N)(CO)CC4)o2)cc1 1772571586 XRKJMIDBPKHFAE-JOCHJYFZSA-N 379.460 3.369 0 1 GGAF COc1cc2nc(Cl)nc(NS(=O)(=O)c3cccs3)c2cc1OC 1772601387 IOVJBWLCPIRICX-UHFFFAOYSA-N 385.854 3.163 0 1 GGAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC(O)C1 1772637712 ZREKKWPDZCRCBE-UHFFFAOYSA-N 389.333 3.258 0 1 GGAF Cc1ccc2c(N)c(C(=O)NCCc3ccc([C@@H]4CCNC4)cc3)sc2n1 1857602222 LOXAOCPVUHKVJO-MRXNPFEDSA-N 380.517 3.236 0 1 GGAF CCCCCC(=O)N[C@H](C(=O)NCc1ccc(NC(=N)N)cc1)c1ccccc1 1911577301 WNZNHSITLKRRDF-FQEVSTJZSA-N 395.507 3.046 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C[C@]3(OC)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 2356489768 JEEFDVONXYYLJM-CCAYCSQHSA-N 378.465 3.042 0 1 GGAF CC(=O)OCC(C)=CCCC1=CCC[C@](C)([C@@H](O)CCC(C)=CCO)OC1=O 2356630556 VJXZNMFEQJQUKW-RBBKRZOGSA-N 394.508 3.378 0 1 GGAF O=C(Nc1cccc(F)c1)[C@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 5066897 VIJQEYHQVHJKAP-QGZVFWFLSA-N 399.447 3.166 0 3 GGAF Cc1ccc(NC(=O)CSc2nc(=O)cc(O)n2-c2ccc(C)cc2)cc1 104144785 GYDFSESSLXSTEN-UHFFFAOYSA-N 381.457 3.286 0 3 GGAF Cc1ccsc1-c1nc(CSCC(=O)NCCN2CCCC2)c(C)o1 4101822 PMECRNQQXDZPNG-UHFFFAOYSA-N 379.551 3.465 0 3 GGAF COc1ccc(NC(=O)CCCN2C(=O)COc3ccc(C)cc32)cc1OC 6751268 GQVADGVLFKGNHP-UHFFFAOYSA-N 384.432 3.157 0 1 GGAF C[C@@H]([C@H](O)c1ccc2c(c1)CCC(=O)N2)N1CCC(O)(c2cccc(F)c2)CC1 28952109 RRFPMVCMACNLJQ-NYHFZMIOSA-N 398.478 3.116 0 1 GGAF O=C1CSC[C@H]2Nc3ccnn3[C@@H](c3ccc(F)c(Br)c3)[C@H]12 29248710 YNZQUMXEPSTFGV-UGFHNGPFSA-N 382.258 3.100 0 1 GGAF O=C(Nc1nnc(N2CCC(N3CCCCC3)CC2)s1)NC1CCCC1 66259898 UEPMBFDUHOWDCI-UHFFFAOYSA-N 378.546 3.057 0 1 GGAF COc1cc2[nH]c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)c2cc1OC 29136325 OPZVQEXSBBPAMS-UHFFFAOYSA-N 386.404 3.024 0 1 GGAF O=C(O)c1cnn(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 66128581 PYWMNDHHEJYSFX-UHFFFAOYSA-N 391.103 3.108 0 1 GGAF COC(=O)c1cc(C)nc(Nc2nc([C@@H](N)Cc3ccc(F)cc3)cs2)n1 61907567 LWRDYJOCGMINNB-ZDUSSCGKSA-N 387.440 3.153 0 3 GGAF CCOC(=O)[C@@H]1CCCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@H]32)C1 504657004 COBANFXUQLODDA-GQRZKWLESA-N 387.520 3.496 0 1 GGAF biogenic CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2cc(C(=O)O)n(O)c2c1 73166121 PMQBCZJQLOSBCK-UHFFFAOYSA-N 380.809 3.055 0 1 GGAF O=C(Nc1cccc(OCCCN2CCOCC2)c1)Nc1ccc2c(c1)OCO2 43075706 ABPPDSVPLCWIMX-UHFFFAOYSA-N 399.447 3.160 0 1 GGAF Cc1ccc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2 49069961 KDVKHUDCYWQBMN-UHFFFAOYSA-N 390.443 3.215 0 1 GGAF CC(=O)NCCn1c(C[C@H](C)c2ccccc2)nc2c(NCC(C)C)ncnc21 82178100 OOSJGKUYXCPXFZ-INIZCTEOSA-N 394.523 3.377 0 1 GGAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NCCOc1ccccc1 82203819 VSJYNMYFVRLGOG-UHFFFAOYSA-N 381.524 3.341 0 1 GGAF C=CN1CC[C@@H]([C@@]2(c3cnccn3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587513384 JKDNRNWDJHNZFX-WZONZLPQSA-N 389.455 3.208 0 1 GGAF COC(=O)c1ccnc2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc12 587220369 AVTAAAPCUIDNBT-KRWDZBQOSA-N 386.411 3.264 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccccc1F 587569902 SHEDOIOTAFOHLA-DYESRHJHSA-N 380.327 3.473 0 1 GGAF COc1cc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2cc1OC 587203449 QHJPABLNAOVQAM-HNNXBMFYSA-N 399.403 3.022 0 1 GGAF COc1cncc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 586940013 YVFCBBXEZFSMRT-HNNXBMFYSA-N 394.884 3.296 0 1 GGAF CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=CN1C 587759474 LFZKYHLMOXZSEU-HUTHGQBESA-N 381.245 3.135 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccccc2[nH]c1=O 587867776 AMFBVUPFEAQMMS-UHFFFAOYSA-N 387.321 3.198 0 1 GGAF C=C1C=C(C)N2NC([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)=NC2=N1 587794576 NGRUXUHDWCIASG-VFZGTOFNSA-N 390.260 3.169 0 1 GGAF Cc1c(O)ccc2c1[C@](c1ccccc1)([C@H](N)c1ccccc1)N[C@H](C(=O)O)C2 963493058 VBBQXMVPXMWDCF-BPUDTRNYSA-N 388.467 3.243 0 1 GGAF Fc1cc(I)cc([C@@H]2NCCc3nc4ccccn4c32)c1 962989365 ZXBIOGUHOOSKHN-HNNXBMFYSA-N 393.203 3.313 0 1 GGAF CN(CC[C@@]1(C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21)C(=O)OC(C)(C)C 963226412 DUBNHUXZXQNUDK-PGRDOPGGSA-N 399.491 3.306 0 1 GGAF CCn1ccnc1CN(C)C(=O)c1cc(COc2c(F)cccc2F)on1 11663861 RZMDMZQKAQWODW-UHFFFAOYSA-N 376.363 3.020 0 3 GGAF CN(C)C[C@@H](O)COc1ccc(Nc2nccc(Nc3ccccc3F)n2)cc1 13537935 FEEKGGYBLXCKCC-MRXNPFEDSA-N 397.454 3.404 0 1 GGAF CC(C)[C@H](CO)Nc1nc(NCc2ccc(O)cc2)c2ncn(C(C)C)c2n1 13819479 BRKRLCRWIPYGHV-INIZCTEOSA-N 384.484 3.154 0 1 GGAF CCOC(=O)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 14968468 QTWPMOHCXRHUPV-UHFFFAOYSA-N 396.287 3.479 0 1 GGAF O=C(N[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1)c1ccc2c(c1)OCO2 169322530 BHVXHNPMBRFUNZ-BEFAXECRSA-N 389.455 3.388 0 1 GGAF CC(C)CC(=O)NC1(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)COC1 167909256 DKLTUTSFFVBBRO-UHFFFAOYSA-N 394.475 3.017 0 1 GGAF NC[C@@H]1C[C@H]1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 1857748618 ZKWKKAVOVBLNQA-GPJHCHHRSA-N 376.548 3.070 0 1 GGAF C=C1C=C(C)[C@H](CC)OC(=O)[C@H](C)C(=O)[C@@](O)(CO)CC(SC)=C[C@@H](C)C1 253671809 LRQSUMUIBKNZKW-WTFQOOOSSA-N 396.549 3.416 0 1 GGAF Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(C(=O)Nc3ccccc3)C2)C1 3955953 MFHHZCVYZIUYGC-OAQYLSRUSA-N 382.464 3.452 0 1 GGAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCN1CCOCC1 4212410 JAEUCIUVKHTYAA-SFTDATJTSA-N 387.524 3.149 0 1 GGAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O 4294994 JWAXXTVDUIEOLY-KZNAEPCWSA-N 375.469 3.078 0 1 GGAF COc1ccc2c(c1OC)CN(C)CCc1cc3c(cc1C(=O)[C@@H]2C)OCO3 13408544 YRAXYDGEEARNTF-CYBMUJFWSA-N 383.444 3.407 0 1 GGAF biogenic C[C@@H](C(=O)OCCOCCO)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27557234 BOAYZUJJJASQQY-DJIMGWMZSA-N 392.517 3.437 0 1 GGAF COc1cc2c(cc1OC)C(C1=NCCc3cc(OC)c(OC)cc31)=NCC2 39351224 SOAQTRGDRKCNCC-UHFFFAOYSA-N 380.444 3.112 0 1 GGAF COc1ccc(OC)c(CCNc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)c1 82204225 PEESMYKDONUFNZ-IYBDPMFKSA-N 386.496 3.070 0 1 GGAF CNC(=O)c1cc(Cl)cc(C)c1NC(=O)[C@H]1CC(c2ccc(F)cc2)=NO1 84653194 GLAGOYQRTXXDGT-MRXNPFEDSA-N 389.814 3.279 0 1 GGAF CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@H]2C[C@H]([C@H]3C[C@@H](C)C(=O)O3)N3CCCC[C@@H]1[C@H]23 85510104 GYOGHROCTSEKDY-UHQCMWMJSA-N 375.509 3.015 0 1 GGAF biogenic,in-vitro COC(=O)/C(=C1\OC(=O)C(c2ccc(OC)cc2)=C1OC)c1ccc(OC)cc1 95913620 YMKVBCRZKHLPMY-ZZEZOPTASA-N 396.395 3.202 0 1 GGAF biogenic,in-vitro OCc1cc([C@@H](O)CNCCc2ccc(Nc3ccc(O)cc3)cc2)ccc1O 169351240 XIVOSKGJDVTUBV-QHCPKHFHSA-N 394.471 3.199 0 1 GGAF CCCC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 199333350 ZQHVKFMMNIRWPN-LTSYSURUSA-N 395.499 3.006 0 1 GGAF OC[C@H]1CCCN1c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1 207362051 AQXSKRPPRFKVSP-QGZVFWFLSA-N 386.459 3.496 0 1 GGAF CO[C@]1(c2ccc3c(c2)OCO3)O[C@H](c2ccc3c(c2)OCO3)[C@@H](C)[C@@]1(C)O 215491480 KBHMRUUVCVKJQY-TUQOMBBFSA-N 386.400 3.102 0 1 GGAF COc1ccc2nc(N3CCCC3)[nH]c(=NCCCCCN3CCCC3)c2c1 473111276 AEGXYSJQEQJJIN-UHFFFAOYSA-N 383.540 3.339 0 1 GGAF COC(=O)c1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cn1 587042787 MGUNIUOIHXRMLG-CQSZACIVSA-N 388.836 3.053 0 1 GGAF COc1cncc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c12 587114073 UWMXTDGWENFIHH-QGZVFWFLSA-N 378.354 3.385 0 1 GGAF CC(C)OC(=O)C1(c2nc3c(F)cnc(Br)c3[nH]2)CC(F)(F)C1 587131740 SKQGWYATZCLSHJ-UHFFFAOYSA-N 392.175 3.478 0 1 GGAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 587937584 PPMSAGIGNXSSMK-QVKFZJNVSA-N 381.476 3.241 0 1 GGAF CCOC(=O)C(F)(F)[C@@H]1CCC[C@]2(C1)NC[C@H]1CC(=O)N(C)c3cccc2c31 963034475 YWGWMOQKKSNIJY-ARGWCVDVSA-N 392.446 3.324 0 1 GGAF CN1CN([C@H]2CC[C@H](CNCC(F)(F)F)CC2)c2c(c[nH]c3nccc2-3)C1=O 1772651573 PCSBZPSZMDJEPX-JOCQHMNTSA-N 395.429 3.075 0 1 GGAF CCn1ncc2c1CC[C@@H](N=c1nc3c(-c4cncc(Cl)c4)cccn3[nH]1)C2 1857752977 YYGKOOZHHBFTGY-MRXNPFEDSA-N 393.882 3.052 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@@H]3CC[C@@]2(O)C(C)=O)C1 2356305287 RSBZZVJLNTXCGU-SEUNIJHQSA-N 390.520 3.460 0 1 GGAF Cc1ccc(NC(=O)CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 4966743 WARXBWBLPKRZAS-UHFFFAOYSA-N 394.471 3.300 0 3 GGAF C=C1c2cccc(O)c2C(=O)c2c1cc(O)c1c(=O)cc([C@@H](C)[C@H](C)O)oc21 2356382012 JPIKFLJADUHSCV-ONGXEEELSA-N 378.380 3.294 0 1 GGAF CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)c1ncc[nH]1 3821895 NXTUTROSFXOAHD-GJZGRUSLSA-N 394.516 3.063 0 1 GGAF CCOC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 6929562 BBCQQASIVFPGAV-UHFFFAOYSA-N 390.505 3.011 0 3 GGAF CCC(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)c(O)c1 28564310 YXSGYYQFLREHOD-UHFFFAOYSA-N 383.448 3.475 0 1 GGAF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1cc(OC)cc(OC)c1)[C@H](C)O2 29391012 UBBZOHLFIFSEKB-JTQLQIEISA-N 386.408 3.151 0 1 GGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]3[C@@H]4CC(=O)O[C@H]4O[C@@H]3C[C@@]12O 2356759173 PHLWRVWXUFAVPX-UHFFLDRXSA-N 390.520 3.019 0 1 GGAF O=C(c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)N1CCNCC1 82074941 QQUKEWINAWLWLC-UHFFFAOYSA-N 393.287 3.425 0 1 GGAF CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCc1ccccn1 82082669 AGXAKZYVXGOXHW-KRWDZBQOSA-N 399.472 3.338 0 1 GGAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H](C)CN(C)C 299879266 KLMFFBDOURYFNH-BUVFEPMLSA-N 395.503 3.243 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(C)c2cccc(Br)c21 587371706 MKSPBZURVKFUOC-SFHVURJKSA-N 387.233 3.177 0 1 GGAF CCOC(=O)N1CCN(c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)CC1 587398448 HIWPSPLLFJWLBX-GOSISDBHSA-N 399.447 3.155 0 1 GGAF CCOC(=O)[C@]1([C@H]2CCCC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587794805 GRXNWDWPXMHJAZ-KWFDTGPKSA-N 398.272 3.250 0 1 GGAF CCOC(=O)C[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1 587408677 NNAKHGQOSBKYHM-OAQYLSRUSA-N 383.400 3.120 0 1 GGAF CC(C)(CC(=O)O)Cc1nc2c(I)cnc(Cl)c2[nH]1 587956163 WAKGBVDDKZUKPY-UHFFFAOYSA-N 393.612 3.259 0 1 GGAF COC(=O)C[C@@]1(c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587776446 CSOCQOPOFHZSCU-VOJFVSQTSA-N 393.256 3.324 0 1 GGAF COC(=O)CC[C@H](N)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587259044 WASMGBQNQIYYIS-NSHDSACASA-N 384.274 3.313 0 1 GGAF CCOC(=O)Cn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)nn1 587105299 XFPYWUZYHCAPBY-UHFFFAOYSA-N 384.395 3.268 0 1 GGAF O=C1COc2cc3[nH]c(Cn4nc(C(F)(F)F)cc4C4CC4)nc3cc2N1 587119797 XSHLSBZYPANQRB-UHFFFAOYSA-N 377.326 3.035 0 1 GGAF COc1cc2c3c(c1)O[C@](COc1ccc(C(=O)O)cc1)(C1CC1)[C@@H](C2)C3=O 587439161 KDMALBRJRAGCGH-HTAPYJJXSA-N 380.396 3.369 0 1 GGAF COC(=O)CC[C@@]1(C(C)C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962721735 WHXMEVWBXVQLSX-YOEHRIQHSA-N 391.361 3.248 0 1 GGAF COC[C@H]1CCCCN1C(=O)c1cc(COc2ccc3ncccc3c2)on1 11938336 FMPNDJVBSMJRSW-MRXNPFEDSA-N 381.432 3.443 0 3 GGAF O=C(CCc1ccccc1)c1cc(O)ccc1OC[C@@H](O)CN1CCCCC1 13529231 HNTYJJIDGXCTPP-FQEVSTJZSA-N 383.488 3.433 0 1 GGAF C[C@H]1C(=O)N(C)c2ccc(C(=O)N[C@H]3CCc4ccccc43)cc2N1C1CC1 1857646701 WJEPRLLCPVYJLY-LIRRHRJNSA-N 375.472 3.438 0 1 GGAF CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCC(C)(C)CO)c1 767511 YGGIDOCKCSWIFV-PZJWPPBQSA-N 396.487 3.312 0 1 GGAF CC(C)C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](COC(C)(C)C)C(=O)N21 1656499 NFTGGKHBTWDPAV-QRVBRYPASA-N 397.519 3.322 0 1 GGAF COCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1c(OC)ccc2ccccc12 2683817 GOKARQJUBRGLRE-IBGZPJMESA-N 384.432 3.008 0 1 GGAF Cc1cccc(C)c1NC(=O)C[S@](=O)CC(=O)N[C@@H]1CCCc2ccccc21 4906675 HPYIOVGICBOHBE-GDJIYFAZSA-N 398.528 3.184 0 3 GGAF O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(Cl)ccc1O 28526794 BSMAWMTURJNFBT-UHFFFAOYSA-N 388.851 3.169 0 1 GGAF COC(=O)c1ccc(NC(=O)c2cnc3c(n2)C(C)(C)CC3(C)C)c(OC)c1 26827324 YZKKKKGSMGBRPU-UHFFFAOYSA-N 383.448 3.483 0 1 GGAF O=C(c1cccc2c(CN3CCN(C4CCC4)CC3)c[nH]c12)N1CCCCC1 64512103 UTTVMTPZXLDCKM-UHFFFAOYSA-N 380.536 3.464 0 1 GGAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4cc(O)c(OC)c(OC)c4)OC[C@@H]23)ccc1O 2356681946 BRFWDNNUNKTTCA-BBNYVJOESA-N 388.416 3.199 0 1 GGAF O=c1c(-c2ccc(F)cc2)cccn1[C@@H](CN1CC[C@H](O)C1)c1ccccc1 36190498 VUMJGYVMLYLAEA-UNMCSNQZSA-N 378.447 3.310 0 1 GGAF CN1CCC(Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 40430582 ZNXKTMASVDDFHZ-UHFFFAOYSA-N 376.386 3.316 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 95599823 RBMKJBGNFMBRRP-GOSISDBHSA-N 393.411 3.200 0 3 GGAF CC(C)(C)OC(=O)Nc1ccc(NC(=O)NCc2nc(Cl)cnc2N)cc1 473154540 IGUQAVVGGTUNQG-UHFFFAOYSA-N 392.847 3.381 0 1 GGAF COc1cc(N(C)C(=O)Cn2ncc3c(=O)oc4ccccc4c32)ccc1Cl 299822927 QRWCLCFXNSVXBH-UHFFFAOYSA-N 397.818 3.468 0 1 GGAF COc1cc2c3c(c1)O[C@]1(c4cc(OC)c(OC)cc4C[C@H]1N=O)[C@@H](C2)C3=O 587431188 ZKHAKBAZGRPYOR-FIKMYACPSA-N 381.384 3.046 0 1 GGAF C=C(NC(C)=O)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587203472 OMADXROTQDGMPU-UHFFFAOYSA-N 390.852 3.124 0 1 GGAF CCOC(=O)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1cccc(F)c1 587649934 NGRFEVOUBYGKBD-UHFFFAOYSA-N 375.421 3.483 0 1 GGAF O=C(NCc1nc2c(Br)ccnc2[nH]1)c1cc2c(s1)CCC2 587035699 YKQZEVRIJIUHMF-UHFFFAOYSA-N 377.267 3.201 0 1 GGAF NC(=O)c1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 587183997 NDLNFSWEDKSGIG-FPLPWBNLSA-N 389.196 3.437 0 1 GGAF COC(=O)c1ccnc2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc12 587019985 APQWEZFWBBZHAY-UHFFFAOYSA-N 389.437 3.139 0 1 GGAF NS(=O)(=O)c1c[nH]c(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)c1 586933085 XLOXFFDCUIBEHG-UHFFFAOYSA-N 395.469 3.482 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2=CC=CN3C=CN[C@@H]23)N1 587792605 PLKMEQSMTJYBNI-AFBMGJRZSA-N 376.273 3.494 0 1 GGAF CC1=C(c2ccc3nc(CC(=O)Nc4cccc(C)c4C)[nH]c3c2)NNC(=O)C1 587238935 ITHJXTMFNJXLSX-UHFFFAOYSA-N 389.459 3.116 0 1 GGAF COC(=O)c1ccnc2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc12 587041252 AXHDZJTWEJTDNG-GFCCVEGCSA-N 388.836 3.053 0 1 GGAF Cc1cc(NCCCn2ccnc2)n2nc(SCc3ccccc3)nc2n1 1772651074 QPGMHBDNBYMBAN-UHFFFAOYSA-N 379.493 3.424 0 1 GGAF NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCCC[C@@H]2c2ccccc2)c1 1772620421 OYMPEFYJMLRGHQ-SYGIOELKSA-N 377.444 3.034 0 1 GGAF COCCOC1CCN(C(=O)c2cc(COc3cc(C)ccc3C)on2)CC1 12713139 VRQCILSDKQTENV-UHFFFAOYSA-N 388.464 3.138 0 1 GGAF NC(=O)C1=CN(Cc2ccccc2)C=C(C(N)=O)C1c1ccc2ccccc2c1 1857587143 DRRCQVNONQCITN-UHFFFAOYSA-N 383.451 3.178 0 1 GGAF O=C(NCCCN1CCCC1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 4048906 QHHLYNHMPVXOCG-IFMALSPDSA-N 377.488 3.381 0 1 GGAF Cc1cccc(N2C(=S)N[C@H]3c4ccccc4O[C@]2(C)[C@@H]3C(=O)N(C)C)c1 4598596 OLXAPWYUDOSCJE-BBTUJRGHSA-N 381.501 3.244 0 1 GGAF COc1ccc(C2=C[C@@H](c3c(OC)cc(OC)cc3OC)NC(=S)N2)cc1 103279110 CXPOAWDFRNXHQS-INIZCTEOSA-N 386.473 3.281 0 1 GGAF O=c1[nH][nH]c2nc(CN3CC=C(c4ccc(F)cc4)CC3)nc3cccc1c32 59298636 BTXCJZJJXNJZAB-UHFFFAOYSA-N 375.407 3.228 0 1 GGAF O=C(O)C[C@H]1CCN(Cc2cccc(F)c2)C[C@H]1Cc1nc2cnccc2[nH]1 2356302611 CZUMRUCBZKJUHI-HZPDHXFCSA-N 382.439 3.253 0 1 GGAF O=C(NC(=O)c1cccs1)NC1CCN(CCCC(=O)c2ccccc2)CC1 27982997 UQJKQOLPDDIWGN-UHFFFAOYSA-N 399.516 3.315 0 1 GGAF CC=C1CN2[C@H](C(=O)O)Cc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@H](C)C(=O)OC 2356475474 FDYRVJVOEPEUJZ-CJCLCCARSA-N 382.460 3.296 0 1 GGAF CC(=CCc1cc(C(=O)O)ccc1O)CC[C@H](O)[C@]1(C)CC[C@@H](C(C)(C)O)O1 2356576259 UEDBFLUWLOXTGA-IPJJNNNSSA-N 392.492 3.429 0 1 GGAF O=C(Nc1cccc(Cl)c1N1CCNCC1)c1ccc(Br)o1 62241832 MRQHYUPABCEKKS-UHFFFAOYSA-N 384.661 3.357 0 1 GGAF O=c1c(-c2ccc(F)cc2)cccn1[C@H](CN1CC[C@H](O)C1)c1ccccc1 36190494 VUMJGYVMLYLAEA-RBBKRZOGSA-N 378.447 3.310 0 1 GGAF Oc1ccc2c(c1)C[C@H]1[C@@H](CCCN1CCN1CCN(c3ccccc3)CC1)C2 40873578 NAPNWCZWDZJHJF-OFVILXPXSA-N 391.559 3.394 0 1 GGAF NC1=N[C@@](c2cccc(NC(=O)c3ccc(Cl)cn3)c2)(C(F)F)[C@H]2C[C@H]2O1 226081666 XXSQZGRYENIHEO-WPKBUWHJSA-N 392.793 3.181 0 1 GGAF CCOC(=O)c1cnc2c(cnn2Cc2ccccc2)c1NC1CCOCC1 40421222 YRHIXSWQIKKNAJ-UHFFFAOYSA-N 380.448 3.247 0 1 GGAF Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(C2CCC2)n1 140017399 CMCCIKSQCKBNJH-LBPRGKRZSA-N 391.522 3.324 0 1 GGAF Cc1onc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)c1C 95581963 IRSXCYFNVQVBMS-UHFFFAOYSA-N 384.465 3.164 0 1 GGAF COc1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)ccc1O 98085753 VFPPFIFIWQAYDT-YLZCUGDYSA-N 397.471 3.483 0 1 GGAF CCS(=O)(=O)c1ccc2[nH]c(N3CCO[C@H](c4ccc(C)cc4)C3)nc2c1 95580676 MOMDMKJUBBDWEP-IBGZPJMESA-N 385.489 3.243 0 1 GGAF C[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1 252170362 NUTRZZDKYNDEFH-YVWKXTFCSA-N 380.492 3.099 0 1 GGAF C[C@@]1(c2cccnc2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587747 OFTCXIVLUDNKOP-IERDGZPVSA-N 377.352 3.362 0 1 GGAF CCOc1n[nH]c(-c2nc3cc(Br)ncc3[nH]2)c1Br 586979492 NSKFIRDNVLYNMO-UHFFFAOYSA-N 387.035 3.272 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(/C=C\C(=O)O)=COc2ccc(F)cc21 587384547 LYLORDVAWUFDOG-NFOFNSIRSA-N 381.359 3.494 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1ccc(C)n1 587868696 OXXICGIRHOKGRQ-UHFFFAOYSA-N 379.342 3.208 0 1 GGAF CN1CCc2cnn(C)c2[C@]1(c1ccc(F)cc1)c1ccc(C2OCCO2)cc1 963956063 UPSMPGOUMXHWAV-HSZRJFAPSA-N 393.462 3.384 0 1 GGAF CCCn1cc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c(C(F)(F)F)n1 962921777 DQAGVSVKIVXHAC-MRXNPFEDSA-N 380.414 3.249 0 1 GGAF COc1cccc([C@@H]2CC(=O)C[C@@]3(C2)NC[C@H]2CC(=O)N(C)c4cccc3c42)c1 963016945 DCWXHGCQWPPVBD-HOZJOUCCSA-N 390.483 3.481 0 1 GGAF CC(C)(C)OC(=O)N1CC[C@@](F)([C@]2(C)c3ccsc3CCN2C(N)=O)C1 962701298 ANRQVNZDYALFST-ROUUACIJSA-N 383.489 3.249 0 1 GGAF CN1CCc2c(Br)cccc2[C@]12C(=O)[C@H]1CC[C@@]2(C(=O)O)C1(C)C 963278495 BLPXPEJGSUMMSA-UPRAQXHNSA-N 392.293 3.222 0 1 GGAF COC(=O)c1ccccc1[C@@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962637207 KOZMKMMZWGGDBG-CVDCTZTESA-N 390.439 3.209 0 1 GGAF Cc1ccc(N/C(O)=N/[C@H]2OC(=O)C(Br)=C2Br)cc1 3102208 YWTIQFSRJNLIIT-JTQLQIEISA-N 390.031 3.205 0 1 GGAF O=C1[C@@H](N2CC[C@H](c3ccc(O)cc3)[C@@H](F)C2)CCN1Cc1ccc(F)cc1 1772581287 XFXAVVJYLLLZPG-HKBOAZHASA-N 386.442 3.460 0 1 GGAF CCOc1n[nH]c2cc(NC(=O)N[C@H](COC(F)F)c3ccccc3)ncc12 1772627902 QEFIQQLKWRDSEK-CQSZACIVSA-N 391.378 3.459 0 1 GGAF COc1ccc(C2=Nc3c(nc(OC)[nH]c3=O)N[C@@H](c3ccccc3)C2)cc1 5542971 DVNAEUBGCBDOSE-QGZVFWFLSA-N 376.416 3.465 0 1 GGAF Cc1ccc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)cc1CC(=O)N1CCOCC1 169304939 YXKKKXDMHWGXKH-KWOQKUFVSA-N 398.547 3.341 0 1 GGAF CCc1c(-c2ccc(N3CC[C@H](N(C)C)C3)cc2)nc(O)c2c(O)nsc12 1857579722 FTXNYVQIBXDXAL-AWEZNQCLSA-N 384.505 3.472 0 1 GGAF O=C1C[C@]2(O)c3ccccc3O[C@H]3c4cc(O)ccc4-c4c(O)cc(O)c1c4[C@H]32 2356375435 CJDAIJHZTKDLTJ-VJBWXMMDSA-N 388.375 3.475 0 1 GGAF CCC=CC[C@H](O)C=CC=CC=CC=C[C@@H](O)[C@@H](O)CC=CCCC(=O)O 2356342280 OIWTWACQMDFHJG-HBMCJLEFSA-N 376.493 3.461 0 1 GGAF Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(NCc3cccnc3)n2n1 6803047 AXZGZZJZBMYBEA-UHFFFAOYSA-N 398.474 3.410 0 1 GGAF O=C1N(c2ccccn2)C[C@@H]2CN(Cc3cccc(OC(F)(F)F)c3)CCN12 2356286898 BBGVKXDRKDWBEW-HNNXBMFYSA-N 392.381 3.107 0 1 GGAF C[C@@H](O)c1onc(-c2cccs2)c1C(=O)N1CCN(Cc2ccccc2)CC1 2356302800 BXWLLRDJLQNXGO-OAHLLOKOSA-N 397.500 3.414 0 1 GGAF Cc1cc(C)cc(NC(=O)Cc2ccc(O[C@]3(C(=O)O)CCO[C@H]3C)cc2)c1 27524843 MIWBKCLSAKCDEU-KSFYIVLOSA-N 383.444 3.496 0 1 GGAF CCCN(CC)[C@H](C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 27745179 PQENCFPZEXGXCE-OAHLLOKOSA-N 388.508 3.289 0 1 GGAF Cc1ccc2c(c1)N(C1CCN(CC(=O)Nc3nccs3)CC1)C(=O)OC2 28116773 QTUJFLULRRTASP-UHFFFAOYSA-N 386.477 3.011 0 1 GGAF CC(C)c1n[nH]cc1-c1nc(NC2CCN(C)CC2)ncc1Br 64513226 UNGSBCKKKYIIJC-UHFFFAOYSA-N 379.306 3.259 0 1 GGAF C[C@@H]1COCCN1c1cc([C@](C)(O)C(C)(C)C)c2ccnc(-c3cc[nH]n3)c2n1 1911580134 JEKFZLKMYTUJAS-PEBXRYMYSA-N 395.507 3.499 0 1 GGAF Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C3CC3)CC(=O)N21 16032573 KNDMVJRPJMMTRO-NFBKMPQASA-N 385.467 3.324 0 1 GGAF biogenic COC1CCC2(CC1)Cc1ccc(C#CCC(C)C)cc1[C@@]21N=C(N)N(C)C1=O 141180162 TVMKDWFWVGMEKF-TVNWEXPRSA-N 393.531 3.198 0 1 GGAF COc1cc(-n2c(-c3ccc4c(c3)OCO4)cccc2=O)cc(OC)c1OC 96930125 MOLYABATKVIDDB-UHFFFAOYSA-N 381.384 3.259 0 1 GGAF COC(=O)Nc1cccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)c1 96907644 VRORCRGRJQYALG-UHFFFAOYSA-N 380.452 3.081 0 1 GGAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5n[nH]c(S(C)(=O)=O)c5C[C@@]43C)[C@H]1CC[C@@H]2O 253809442 ZDVQIHHSZCHGCK-AFTMUQMLSA-N 392.565 3.132 0 1 GGAF O=C(NCc1cccnc1)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 621431270 WJTHADQNBHBCRE-UHFFFAOYSA-N 391.452 3.203 0 1 GGAF O=S(=O)(c1ccccc1)N1N=C(C(F)(F)F)C[C@H]1c1cccc2c1OCO2 299836677 HKEXIKYWKAOJNB-ZDUSSCGKSA-N 398.362 3.469 0 1 GGAF COc1cc(OC)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc2c1 587233709 AQCNISIQCXCAFJ-UHFFFAOYSA-N 389.452 3.443 0 1 GGAF CCOC(=O)c1coc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587585531 FMTVTCNKJFYMDW-CRAIPNDOSA-N 381.340 3.260 0 1 GGAF CCOC(=O)CCOCCCOCCc1nc2ccc(Br)cc2[nH]1 587566228 BHYATYDBHPFAMQ-UHFFFAOYSA-N 399.285 3.244 0 1 GGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(C)c(Br)cnc2[nH]1 587231786 QVKAAEKMKNBFPX-RYUDHWBXSA-N 395.301 3.065 0 1 GGAF O=C1Cc2nc3nc(O)nc(O)c3cc2[C@H](c2ccccc2C(F)(F)F)C1 587368209 JVIQYPVOLSDFPG-JTQLQIEISA-N 375.306 3.102 0 1 GGAF COc1ccc2c(c1)[C@](C)(CCCc1ccc(N(C)C)cc1)C(=O)N2CC(=O)O 1772572444 YPDCMJATZJRLBC-QHCPKHFHSA-N 396.487 3.473 0 1 GGAF CN(C)C(=O)n1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccc(F)cc21 13737544 SZVLRTNGEYQGMF-LPHOPBHVSA-N 398.463 3.292 0 1 GGAF Nc1cccc(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)c1 13799556 CCJQRZIECSQVPL-UHFFFAOYSA-N 376.416 3.343 0 1 GGAF COc1ccc(C2=NO[C@H](Cn3nc(C(=O)O)cc3-c3ccccc3)C2)cc1 15934980 HEOQYACALDYGSP-KRWDZBQOSA-N 377.400 3.450 0 3 GGAF C[C@H]1Cc2c(cnn2-c2ccccc2)C(=O)N(C2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)C1 169296042 ZORKFISLJDPJLY-SGZGGXPASA-N 391.515 3.446 0 1 GGAF CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1nc2ccccc2o1 1482422 ZYKPNHFCNSVFNF-KRWDZBQOSA-N 397.456 3.237 0 1 GGAF in-vivo Cc1c(N2CC[C@@]3(CCC[C@@H]3N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520942 ZBNSKAZSACITID-JTSKRJEESA-N 399.466 3.030 0 1 GGAF COC(=O)[C@H]1[C@@H](c2ccc(/C=C/I)cc2)C[C@H]2CC[C@H]1N2 100937177 GZWPHROGQGOESZ-MQKINNMXSA-N 397.256 3.489 0 1 GGAF CCCNC(=O)c1cc([C@H]2CCCCN2C(=O)c2ccc(NC(C)=O)cc2)on1 61898635 KWWZRNACTWHSAB-GOSISDBHSA-N 398.463 3.140 0 3 GGAF C[C@H]1CN(CCNC(=O)CCc2ccc(O)cc2)CC[C@@]1(C)c1cccc(O)c1 27560971 AEHFDSQYDTZIFK-MHECFPHRSA-N 396.531 3.446 0 1 GGAF COC1=C(OC)C(O)=C2C3=C4C(=C[C@H](OC)[C@@H]3OC)CCN(C)[C@H]4CC[C@@H]2C1 2356579923 LHDMAYOUGWKLGP-RVKPGKEFSA-N 389.492 3.087 0 1 GGAF COC(=O)[C@H]1CCC[C@@H](N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)C1 66075812 ULGNQMQAXLOXHB-QKYXUNIQSA-N 380.479 3.278 0 1 GGAF C[C@H](Cc1ncc(CCCC(=O)O)s1)NC[C@H](O)c1cccc(Cl)c1 26375926 LULIDPWYMOAXGN-WBMJQRKESA-N 382.913 3.458 0 1 GGAF Cc1ccc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)[nH]c1=O 71295668 SEMWMDKBYYETPU-ZSEKCTLFSA-N 380.398 3.039 0 1 GGAF C[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82207237 HTSHPBNWBOECIO-AWEZNQCLSA-N 386.471 3.004 0 1 GGAF COc1cc(-c2ccc(-c3ccnc(N4CCOCC4)n3)s2)cc(OC)c1O 45253673 ZMVXRQKHLMSMQH-UHFFFAOYSA-N 399.472 3.432 0 1 GGAF CC/C(C)=C/C(=O)O[C@H]1CC=C2C[C@@]3(OC)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C 238736305 RDBSDZCKXOOWMU-YGNVYPRJSA-N 390.476 3.208 0 1 GGAF COc1cc(-c2cc(=O)c3c(O)cc(OC)c(OC)c3o2)cc(OC)c1OC 96910397 JKUQVSBSSAZZKM-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF O=C(c1cnccn1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@H]21 95878163 ZAROACMCMGCNBC-WTOYTKOKSA-N 386.455 3.133 0 1 GGAF Cn1ccc(-c2cc(S(=O)(=O)c3ccccc3)cc3c4c(oc23)CCNC4)n1 147549162 PMOYDXNGCLAIDE-UHFFFAOYSA-N 393.468 3.312 0 1 GGAF CC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1Cc1cccnc1 95895871 UTZGYQUFVFLGRA-TZRRMPRUSA-N 391.515 3.114 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC=O)(c2ccccc2)N1 587739350 ATBJBBPILKYNMV-KPZWWZAWSA-N 377.257 3.112 0 1 GGAF N=c1nc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c[nH]1 587120517 MMPDXNOGHUKVMQ-UHFFFAOYSA-N 396.336 3.161 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCC(=O)N1CCCC1)[C@@H](C2)C3=O 587441765 HAODCTNOQUHKQY-GAJHUEQPSA-N 393.439 3.185 0 1 GGAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cnncc3[nH]1)C(=O)OC2 586916181 WSOPWUFWYNWXSK-NYYWCZLTSA-N 394.431 3.168 0 1 GGAF O=Cc1cc(C=O)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587608870 NBMDAFSESUSOES-GCJKJVERSA-N 390.347 3.426 0 1 GGAF O=C(O)CC[C@@]1(CCC(=O)c2ccccc2)NCCc2c(C(=O)O)cccc21 963125878 VCSRMZTXOLGVCH-JOCHJYFZSA-N 381.428 3.254 0 1 GGAF CCNC(=O)Nc1nc2cc(-c3cccnc3)c(O[C@@H](C)COC)nc2s1 169340087 ZYWCKTAEIKXDMD-NSHDSACASA-N 387.465 3.308 0 1 GGAF COc1ccc(Nc2oc3cc(=O)ccc-3cc2C(=O)NC[C@H]2CCCO2)cc1 5447901 GKETXHKHJGXDQB-GOSISDBHSA-N 394.427 3.406 0 3 GGAF CN(C)CCNC(=O)c1cccc(-c2cnc3ccc(-c4ccccc4)nn23)c1 1857758773 GXTHVXDGMQUTRR-UHFFFAOYSA-N 385.471 3.355 0 1 GGAF COc1cccc2nc(C[C@@H]3CN(C(=O)CC(C)C)CC[C@@H]3CC(=O)O)[nH]c12 2356302692 PHEFNBGABJMHOG-HUUCEWRRSA-N 387.480 3.100 0 1 GGAF Cc1cn(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1 103241869 IPTWJKSNCXVPQK-UHFFFAOYSA-N 378.455 3.141 0 1 GGAF COc1cccc(N2CCN(CCc3oc(=O)[nH]c3-c3ccc(F)cc3)CC2)c1 26296824 RIIVIEVJSDUAFA-UHFFFAOYSA-N 397.450 3.147 0 1 GGAF CNC(=O)c1cccc(-c2nc(Nc3cccc(OC)c3)c3cnn(C)c3n2)c1 64539966 SONGRKPPTQGLQE-UHFFFAOYSA-N 388.431 3.142 0 1 GGAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC[C@@H](c2ccncc2)C1 116981303 KDKCYBNYZLSUIH-GDBMZVCRSA-N 378.480 3.180 0 1 GGAF C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)C(=O)Nc1ccc(Br)cc1 32792419 FFDQOYGHFIJSOQ-SNVBAGLBSA-N 390.237 3.219 0 1 GGAF O=S(=O)(Nc1ccc2nc(-c3cccc(F)c3)nn2c1)c1ccccc1F 82082041 JDDRCQHIMSMTKU-UHFFFAOYSA-N 386.383 3.475 0 1 GGAF C/C=C(\C)C(=O)O[C@H]1[C@H](C(C)C)[C@H](OC(C)=O)[C@H]2O[C@]2(C)CC/C=C(\C)[C@H]1O 238776288 OBTMSZCOALAQMT-IFYOARMDSA-N 394.508 3.327 0 1 GGAF CCNCC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1 653724581 CAVZUUOEKYFUDX-LJQANCHMSA-N 375.428 3.080 0 1 GGAF NS(=O)(=O)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 653699482 YJNDUCSVZCLBFF-UHFFFAOYSA-N 377.429 3.083 0 1 GGAF COC(=O)C(=O)C[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810695 VQTNMUVJSZJPFN-DYZYQPBXSA-N 386.261 3.106 0 1 GGAF CCC(=O)[C@@H]1C(=O)OC(C)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587829253 BMAWFDXRRJMIBL-ORCHDJNQSA-N 396.256 3.374 0 1 GGAF N[C@H](Cc1ccc(I)cc1)c1nc2ccc(Cl)nc2[nH]1 587183943 LSCRVGKCDYNMHG-SNVBAGLBSA-N 398.635 3.458 0 1 GGAF COc1cc(C)ccc1OCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587564364 JVGQAQLRNNCSTK-UHFFFAOYSA-N 378.432 3.214 0 1 GGAF CCN1CCN(c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)CC1 587441635 GPMXWFXMTIHHLQ-AUSIDOKSSA-N 378.472 3.326 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(CCCS(=O)(=O)c4ccc(C)cc41)[C@@H](C2)C3=O 587454431 YRXFGEHFHNZMRC-HRAATJIYSA-N 384.453 3.214 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3nn[nH]n3)c2)N1 587797301 RPFFOGHHIVVFJH-XXFAHNHDSA-N 388.244 3.392 0 1 GGAF O=C([C@H]1Cc2ccccc2[C@H](c2cnc3[nH]ncc3c2Cl)N1)C(F)(F)F 962761133 GMKZBMPSHNOLLQ-TZMCWYRMSA-N 380.757 3.346 0 1 GGAF Cc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)/C=C/c3ccccn3)C2)o1 11822110 SKBVHJYYSINFGZ-ZPHJMFTNSA-N 381.476 3.331 0 1 GGAF Cc1cc(C)n(CC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)n1 11933638 UXMBDCCKVYUUQS-HXUWFJFHSA-N 377.492 3.496 0 3 GGAF COc1cccc(OC)c1C[S@](=O)c1ncccc1C(=O)Nc1ccncc1 13605306 GBDLWXMHDBYOLA-MUUNZHRXSA-N 397.456 3.054 0 1 GGAF CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)c2ccc(=O)oc2)C1 14958508 ACHYXOVKBZZARW-KRWDZBQOSA-N 381.407 3.408 0 3 GGAF C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 169300735 AGWNTSAXKRGTBH-LVNOUGRESA-N 378.472 3.307 0 1 GGAF O=c1[nH]c(O)c(-c2cc(Cl)ccc2S(=O)(=O)Cc2ccc(Cl)cc2)[nH]1 169712834 NNQOASHONWQOJA-UHFFFAOYSA-N 399.255 3.356 0 1 GGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCCC 4533703 HIMRHJYGYMWQAI-XXSUUVKPSA-N 386.536 3.488 0 1 GGAF Cn1c(Oc2ccccc2-c2ccc(C(F)(F)F)cc2)cc(=O)n(O)c1=O 1857615619 ORLZPBHAKQSJDT-UHFFFAOYSA-N 378.306 3.262 0 1 GGAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 3975453 POSDSPVRJAJSEI-SSGANFLRSA-N 379.522 3.048 0 1 GGAF in-vitro CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOCCO)cc1 4049169 GSHFDKOQCZWYHV-UNMCSNQZSA-N 396.487 3.027 0 1 GGAF COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@H]12 4804519 KXEMQEGRZWUKJS-NHMRUBIDSA-N 382.460 3.187 0 1 GGAF COc1ccc(CN2CCCC2)c(OC[C@H](O)CN2CCCCCCC2)c1 12001288 WHWQLWIJBJBGQV-HXUWFJFHSA-N 376.541 3.297 0 1 GGAF COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3ccco3)c2=O)cc1 25235579 SVVJMUBZFCDOPS-WBVHZDCISA-N 390.439 3.376 0 1 GGAF biogenic O=C(NO)N[C@@H](Cc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 28113101 NPTHOOKTFAASMN-FQEVSTJZSA-N 389.455 3.192 0 1 GGAF CC(C)(O)CN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 28136722 LZVJXRVRIMWUDL-UHFFFAOYSA-N 391.899 3.093 0 1 GGAF O=C(NCC1CC1)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccco1 82142396 SCDCFBMNSZKIHA-UHFFFAOYSA-N 392.415 3.217 0 1 GGAF CC(C)(C)CCNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)CCN2 82204596 OGVCKGKVTRBBKC-UHFFFAOYSA-N 392.503 3.485 0 1 GGAF CC(C)n1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@H](C)CN2 82212167 MCZLGODQMGERGZ-LLVKDONJSA-N 398.385 3.088 0 1 GGAF Cc1ncccc1N1C[C@@H](C(=O)NCc2cccc(Cl)c2Cl)N(C)C1=O 95566112 WHGHIRLJOJNOAN-HNNXBMFYSA-N 393.274 3.254 0 1 GGAF CNC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 96286038 NPWUBXHYMWVDKN-HNNXBMFYSA-N 378.475 3.119 0 1 GGAF CC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(Br)c(C)c2)cc1 97950510 JWGWRQGEMMHMSO-UHFFFAOYSA-N 398.282 3.021 0 1 GGAF CC[C@@H](NC(=O)c1cc(C(=O)N(C)CCOC)n2c1CCCC2)c1ccccc1 143769579 CXNRORVYVQEGMD-LJQANCHMSA-N 397.519 3.424 0 1 GGAF COc1cc(CNCCc2ccccc2F)ccc1Oc1ccc(C(N)=O)cn1 165373477 YHKAYHIOVJHLLR-UHFFFAOYSA-N 395.434 3.453 0 1 GGAF CC(C)(C)c1cc(Nc2nc(N[C@H](CO)C3CCCCC3)nc3n[nH]cc23)[nH]n1 169702561 LQHDIUPOUIHHFX-CQSZACIVSA-N 398.515 3.470 0 1 GGAF C[C@@H](C(=O)Nc1cncc(C(=O)c2cn(C)c3ncncc23)c1)c1ccccc1 169707883 MRWABOCJPWAPRJ-CQSZACIVSA-N 385.427 3.337 0 1 GGAF CC(=O)O[C@@H]1CC=C(C)[C@H]2[C@@H]3OC(=O)[C@@](C)(OC(=O)C=C(C)C)[C@H]3CC[C@]12C 238747628 UQPAULLPQGIQEV-PTTHXEBPSA-N 390.476 3.494 0 1 GGAF O=C(Nc1nc(Cc2nc3cc4cn[nH]c4cc3[nH]2)cs1)c1cccc(O)c1 587020105 WWOHJIDXVZAYTD-UHFFFAOYSA-N 390.428 3.444 0 1 GGAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 587040658 QBHFVWXWIUMYGT-QMMMGPOBSA-N 375.376 3.306 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1 587090707 VZNFRUZYVCHIPA-UHFFFAOYSA-N 380.420 3.129 0 1 GGAF O=S(=O)(Nc1ccccc1-c1nc2cnncc2[nH]1)c1cc(F)ccc1F 587140599 OEGYALIMEVYUKH-UHFFFAOYSA-N 387.371 3.099 0 1 GGAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587162941 HODMRDHTWVMTFJ-KRWDZBQOSA-N 392.438 3.412 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cc(C(=O)O)n1C)O2 587378125 RYLMDLXXAOBDLF-CYBMUJFWSA-N 379.210 3.083 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(c1cn(CC(=O)O)c4ccccc14)[C@@H](C2)C3=O 587429370 BOCWJKWYYWOGTG-OYHNWAKOSA-N 377.396 3.397 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CC)(/C(=C\N(C)C)C(=O)OCC)CC2=O 587468708 JLPJVTTWBSUSPJ-XHVGKJTDSA-N 375.465 3.467 0 1 GGAF CCOC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccccc1F 587649302 GXFBGANTTFIULT-UHFFFAOYSA-N 389.404 3.118 0 1 GGAF Cc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N(C)C)n1 587752747 FMNLDVZNDLYWCP-XXFAHNHDSA-N 379.277 3.376 0 1 GGAF COCCCn1nccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587761133 SKBIVXQTGFHUPL-GTNSWQLSSA-N 382.277 3.445 0 1 GGAF Nn1c(SCC(=O)c2cccs2)nc2sc3c(c2c1=O)CCCC3 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377.228 3.047 0 1 GGAF Cc1nc2cccnc2n2c(-c3cc(OCC(C)(C)O)ccc3Cl)nnc12 145730030 PFVDKPRZAPMJPU-UHFFFAOYSA-N 383.839 3.451 0 1 GGAF CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[C@@H](N3CCC[C@H]3C)C2)c(C)c1 261106235 HLXWQWSECJUMCI-NQSCKRDGSA-N 398.551 3.007 0 1 GGAF Cc1ncc(C2([C@H](C)NC(=O)c3cccc(F)c3Cl)CCOCC2)cn1 473194957 XWEMSXOCKDYDPD-LBPRGKRZSA-N 377.847 3.444 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1[C@H]3C[C@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@H]3[C@H]12 587819889 WWYSVDIYKZGUEL-FQTDOYGNSA-N 388.280 3.275 0 1 GGAF CCOC[C@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351015 SSZDBVRBNWAUIZ-CTNGQTDRSA-N 388.391 3.229 0 1 GGAF Nc1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1CC(=O)O 587249759 MNXLWIYXKWSRJG-UHFFFAOYSA-N 382.164 3.480 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)O2 587393263 DKAMZQDEUNWZCC-ZBFHGGJFSA-N 376.453 3.283 0 1 GGAF CCOC(=O)C[C@@]1(COCc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443906 QOTSICODJCHUEN-JPYJTQIMSA-N 396.439 3.351 0 1 GGAF 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O=C(Nc1ccccc1)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)c1 13712286 MNPKRGHVMCTCKN-RCPZPFRWSA-N 384.435 3.496 0 1 GGAF COc1ccc2c(c1)c(C=O)c1n2CCN2C(=O)c3cc(C)ccc3N(C)[C@H]12 222001503 CZLXXIGDJQFVDQ-NRFANRHFSA-N 375.428 3.375 0 1 GGAF CCN1CCN(c2ccc(Nc3ccnc4ccc5nn(C)nc5c34)cc2)CC1 1629889 LJZKRWIGXALBSZ-UHFFFAOYSA-N 387.491 3.402 0 1 GGAF CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccco3)C2)c1 4036101 UQWLRYJNAFQOHI-MRXNPFEDSA-N 399.428 3.236 0 3 GGAF CCc1cccc(NC(=O)Cn2c(=O)n(C3CCCC3)c(=O)c3ccccc32)c1 4907271 ISDUXEQMIGRYPS-UHFFFAOYSA-N 391.471 3.479 0 1 GGAF C[C@@H](Nc1c(Nc2ccnc(Nc3cnccn3)c2)c(=O)c1=O)c1ccccc1 100081294 UINFNCTZTORHRM-CYBMUJFWSA-N 386.415 3.128 0 1 GGAF CC(=O)OC1=CC[C@@H]2C(=C1)[C@@H]1c3cc(OC(C)=O)ccc3C[C@@H]2N2CCC[C@@H]12 100931808 RJEZRHZJLRFTJG-PVSGBFIBSA-N 379.456 3.492 0 1 GGAF CCCN1CCN(C(=O)[C@@H](C)n2nc(C)c3sc4ccccc4c3c2=O)CC1 20466912 NSUQGJVUCXEQHA-OAHLLOKOSA-N 398.532 3.035 0 3 GGAF C[C@]12C[C@H](OC(=O)c3ccccc3)C[C@@H]3C(=O)O[C@H](c4ccoc4)[C@H](OC1=O)[C@@H]32 2356635696 GTVVKWIWARQEOM-VBOXVVQSSA-N 396.395 3.061 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(O)[C@@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@@]32O)C1 2356667228 UICHNFBCPSZVBP-YJVYEJQWSA-N 392.536 3.396 0 1 GGAF COc1ccc2c(c1)C[C@H](c1nc3c(F)cc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2 66100673 OPFIIKDBLOLKPJ-ZDUSSCGKSA-N 392.390 3.180 0 1 GGAF CNC(=O)Nc1snc(S[C@H]2CCc3cc(Cl)ccc32)c1C(N)=O 36348994 DLMDRALHZSWJSF-JTQLQIEISA-N 382.898 3.426 0 1 GGAF C[C@H](N)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)C1 72108186 PLPBUDLQQFEQLJ-ZDUSSCGKSA-N 397.429 3.261 0 1 GGAF CCOC(=O)N1CCc2cc(OC)c(O)c3c2[C@@H]1Cc1cc2c(cc1-3)OCO2 72178509 BQAUSPVZXWWZQJ-AWEZNQCLSA-N 383.400 3.408 0 1 GGAF COc1cc2cc(NC(=O)CCCNCc3ccccc3)c(=O)oc2cc1OC 1911575428 GNNIJJBFVPDBRB-UHFFFAOYSA-N 396.443 3.319 0 1 GGAF CCCCO[C@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40412922 RTGSUFNIQMVPQC-CJNGLKHVSA-N 380.876 3.481 0 1 GGAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCCSC 82218479 JCOYQEFUOAOZJB-PTFALFBWSA-N 390.549 3.008 0 1 GGAF CC[C@@]1(O)CC[C@@]2(CO1)[C@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)OC)C[C@]42CN(C)C1 238766009 NEGWEUWYIYCILR-MPOANZNHSA-N 389.536 3.123 0 1 GGAF N#Cc1c(N)nc(SCc2cccc(C(N)=O)c2)c(C#N)c1-c1ccccc1 147647966 CNCRFHGLUXOHFK-UHFFFAOYSA-N 385.452 3.465 0 1 GGAF Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H]2C(c3ccccc3)=NO[C@H]2C1 263590314 LHCMXHFHEAOIAS-ZBFHGGJFSA-N 376.865 3.072 0 3 GGAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ncc(Cl)s1 299834783 CIGWCTGJFCICTA-UHFFFAOYSA-N 391.232 3.219 0 1 GGAF CC1CCC(NC(=O)c2cc3cccnc3n(CCCCCCO)c2=O)CC1 299836455 NGDWQTRAACONLI-UHFFFAOYSA-N 385.508 3.258 0 1 GGAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3nc(Cl)c[nH]c-3n2)cc1 587042571 MMJNDFGUZLNWDL-LBPRGKRZSA-N 389.868 3.244 0 1 GGAF Cc1ncsc1CCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587027643 YMOYVLBGUXJAKY-UHFFFAOYSA-N 375.397 3.407 0 1 GGAF CC(=O)N[C@@H](Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1)c1ccc(C)cc1 587217178 UNSQZDUJUITGEV-NRFANRHFSA-N 391.519 3.043 0 1 GGAF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587234465 GHRHZXIZTUHXCS-RNFRBKRXSA-N 378.148 3.074 0 1 GGAF COc1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(I)c1 587180464 RDPUHMOIVGXXCU-UHFFFAOYSA-N 392.200 3.127 0 1 GGAF C=C1C=C(C)N2NC([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)=NC2=N1 587794575 NGRUXUHDWCIASG-RFAUZJTJSA-N 390.260 3.169 0 1 GGAF O=C(O)C[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609712 PFDDYFZCDCVCSI-SIKLNZKXSA-N 392.363 3.430 0 1 GGAF Cc1nn(C)c(C)c1[C@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962931644 XQJNRZFDXZLQIQ-FPOVZHCZSA-N 393.443 3.223 0 1 GGAF Fc1c(Br)ccc2c1NCC[C@@]21NCCc2nc3ccccn3c21 962987363 WEQITIHTZPDKCU-GOSISDBHSA-N 387.256 3.441 0 1 GGAF CC[C@@]1(C2(C(=O)OC)CCC2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974700 LCZGIEHYVHMLQF-KZULUSFZSA-N 387.810 3.166 0 1 GGAF CCOC(=O)C[C@@]1(c2ccccc2OCC)NCCc2c(C(=O)O)cccc21 963128975 CFJZMASVTVAXEJ-JOCHJYFZSA-N 383.444 3.126 0 1 GGAF COc1ccccc1CNc1ncc(-c2ccc(CN(C)C)cc2)c2nncn12 1772615687 RRJHFRSYECVXSF-UHFFFAOYSA-N 388.475 3.474 0 1 GGAF COc1ccccc1CN1C[C@H](C(=O)NC2(c3ccccc3)CC2)CCC1=O 12469385 XSBGHPQKDMXRGP-GOSISDBHSA-N 378.472 3.239 0 3 GGAF CCc1cc(OC2CCOCC2)cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 14953245 MYPLUXKPUNFOLX-HXUWFJFHSA-N 397.475 3.329 0 1 GGAF Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(Cl)cc3)C(=O)C[C@@H]12 206390312 USWWYYQVHADSRE-MRXNPFEDSA-N 382.847 3.296 0 3 GGAF OC[C@H]1CCCCN1c1nc2ccccc2c(=NCCc2cccc(F)c2)[nH]1 1857597944 YHFIBCNKUNNGQO-GOSISDBHSA-N 380.467 3.197 0 1 GGAF CCOc1ccc(F)cc1[C@H](C)NC(=O)N(C)S(=O)(=O)c1ccccc1 1857745175 PRUNVXMVIBXIBY-ZDUSSCGKSA-N 380.441 3.316 0 1 GGAF CC1(C)[C@@H](c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1noc(C2CC(F)(F)C2)n1 1857765128 BYMSTXDSLPHBAQ-QWHCGFSZSA-N 383.420 3.137 0 1 GGAF COc1cc2nc(C3CCC3)n(NC(=O)c3cccc(F)c3)c(=O)c2cc1OC 1365181 QJRMHUGQHIMVQS-UHFFFAOYSA-N 397.406 3.204 0 1 GGAF CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4080180 OLMMJABXZMMTJB-DOTOQJQBSA-N 376.840 3.160 0 1 GGAF CC1=C(C(=O)N2CCOCC2)[C@H](c2cccs2)n2c(nc3ccccc32)N1 4597489 NRJKBHWGPWAPKP-SFHVURJKSA-N 380.473 3.246 0 1 GGAF COc1ncc(F)cc1CNc1ncc(Cc2c[nH]c3ncc(C)cc23)cn1 117430827 IITAGIUAJYXYRU-UHFFFAOYSA-N 378.411 3.407 0 1 GGAF COC(=O)c1ccc(-c2ccco2)n1CC(=O)N1CCN(C2CCCCC2)CC1 20489536 IJRPYVQGVVQSPA-UHFFFAOYSA-N 399.491 3.012 0 1 GGAF CC(=O)OC[C@]12CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]1C[C@H](C1=CC(=O)O[C@@H]1O)O2 6293897 NOFRYDHCCCFKCU-KWPRLHDRSA-N 392.492 3.121 0 1 GGAF biogenic CC(C)Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 36400177 WNDBXZVUUVHVNV-SFHVURJKSA-N 386.517 3.359 0 1 GGAF CNCCN1CCC(c2ccc3c(c2)nc(-c2cccnc2OC)n3C)CC1 45288483 IGYBIDBJKVZVIC-UHFFFAOYSA-N 379.508 3.043 0 1 GGAF CCCCN1CC[C@H](Cc2noc(-c3cc(Cl)c(N)c4c3OCCO4)n2)C1 84741439 GKHWFOIVRKJXLS-GFCCVEGCSA-N 392.887 3.408 0 1 GGAF COc1cccc(CCc2cccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)c2)c1 96906569 RJIQGIMBNQWHJB-PMACEKPBSA-N 375.472 3.427 0 1 GGAF CNCCCOc1ccc(-c2c[nH]c(=O)c(Cc3c[nH]c4ccccc34)n2)cc1 96921946 RKFILFQATOMBTM-UHFFFAOYSA-N 388.471 3.497 0 1 GGAF COC[C@H]1CCCN1c1cc(Nc2ccccn2)nc(-n2nc(C)cc2C)n1 95922004 CPTFLTJFGWOVRS-MRXNPFEDSA-N 379.468 3.033 0 1 GGAF COc1ccc(C[C@@H]2COC[C@@H]2[C@H](O)c2ccc(OC)c(OC)c2)cc1OC 37538925 BLUMMWXERGVZBN-HYFFOGBASA-N 388.460 3.260 0 1 GGAF biogenic CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCc3ccccc32)N(C(=O)c2ccco2)C1 299887109 YHRSCQHSHLSNRD-YZGWKJHDSA-N 396.487 3.483 0 1 GGAF O=C(NCCc1nc2cc(Br)cnc2[nH]1)OCc1ccccc1 587227986 CQUGCOCAAUZZJW-UHFFFAOYSA-N 375.226 3.189 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)N3CCCC3)cc1)O2 587407944 CWDGJLUIASUVPS-LJQANCHMSA-N 386.473 3.068 0 1 GGAF CC(=O)N[C@H](Cc1nc2cc(F)cnc2[nH]1)c1ccc(Br)cc1 586986090 VQCXQZIIRBFOGH-CYBMUJFWSA-N 377.217 3.279 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Cl)c1)C(O)O 587548618 QBHVTEBGSJCOEC-LAUBAEHRSA-N 398.798 3.213 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cc(Cl)cn1 587868362 LPNGPNKLYMOCBR-UHFFFAOYSA-N 385.733 3.163 0 1 GGAF COC(=O)c1cc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2cn1 586966013 ZBZHDRSSCLWQNY-UHFFFAOYSA-N 394.460 3.141 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(N)=O)c(OCC)c1)CC2=O 587471051 QEDLARFRNGARNA-LJQANCHMSA-N 399.443 3.314 0 1 GGAF CCOC(=O)C[C@]1(c2sc(C)nc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451350 NETIBMGNCBDNMJ-VLIAUNLRSA-N 387.457 3.365 0 1 GGAF N=c1cc(-c2nc3cc(I)cnc3[nH]2)c2ccccc2[nH]1 587254055 PMOCNMWBWISZLR-UHFFFAOYSA-N 387.184 3.190 0 1 GGAF COc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c(F)c1 587275480 ASGWQBSQZZGCAK-UHFFFAOYSA-N 380.169 3.461 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Oc3cc(O)ccc32)N1 587843605 SVVLYQDVIJZBGS-LZVRBXCZSA-N 392.224 3.381 0 1 GGAF COCC[C@@]1(C)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963143017 QPRBBBKAUBEUCM-QFIPXVFZSA-N 384.476 3.236 0 1 GGAF CC1(C)[C@H]2C[C@H]1[C@@](C)(O)[C@@]1(C2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962647643 YEGADIYPSMZPBP-NUNNEECESA-N 399.409 3.196 0 1 GGAF N=[S@](=O)(O)c1ccc(Nc2nccc(-c3ccc(OCCN)cc3)n2)cc1 1772580022 HFUAYFDFOHBDTE-UHFFFAOYSA-N 385.449 3.103 0 1 GGAF Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](Oc2ccc(Cl)cc2)C[C@H]1C 1772620936 KPGWYYYJUFBVGB-PXAZEXFGSA-N 397.928 3.311 0 1 GGAF COc1cccc(N2C(=O)CS[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1 5880457 XATBKGGKQDOQRD-LJQANCHMSA-N 375.446 3.500 0 1 GGAF O=C(NCCc1ccc(O)c(Br)c1)c1ccc(Br)o1 167157822 ZAIMLODLZDPTRQ-UHFFFAOYSA-N 389.043 3.483 0 3 GGAF CN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O 205633288 FNGISJJLCIGHAR-UHFFFAOYSA-N 378.407 3.007 0 1 GGAF Cc1cnc(Nc2ccc(N3CCOCC3)cc2)[nH]c1=Nc1cccc(O)c1 1857605473 VMKQBFCSZGKGLV-UHFFFAOYSA-N 377.448 3.236 0 1 GGAF C[C@@H]1CN(C(=O)c2ccc(C(=O)O)cc2)Cc2c(O)nc(-c3ccccc3)nc21 1857560213 YGSYGGCUGNUUSJ-CYBMUJFWSA-N 389.411 3.307 0 1 GGAF COc1ccc(Cn2cc(COc3cnn(-c4ccc(C)cc4)c3)nn2)cc1 1857566678 NQLGJXCDQKJUMF-UHFFFAOYSA-N 375.432 3.408 0 1 GGAF CC(C)(O)CC(C)(C)N=c1[nH]c(-c2c[nH]nc2C(F)(F)F)nc2cnccc12 1857588112 XFAFYUWFKMLDGN-UHFFFAOYSA-N 394.401 3.207 0 1 GGAF COc1cc2cc3n(c2c(OC)c1OC)CCN1C(=O)c2ccccc2N(C)[C@H]31 221967402 MCRBCQRABCUSCX-NRFANRHFSA-N 393.443 3.272 0 1 GGAF O=C(c1cccc(CN2CCN3c4ccccc4OC[C@H]3C2)c1)N1CCCCC1 600835 MLQBZMDETHZBJW-OAQYLSRUSA-N 391.515 3.396 0 1 GGAF C[C@]1(O)CCN(C(=O)C2CCCCC2)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356320414 FSIGGWGMMJHNFO-QTEQDKRBSA-N 384.520 3.186 0 1 GGAF CC[C@@](O)(c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 26009365 PDFMFDPALQMUDC-MOPGFXCFSA-N 375.831 3.256 0 1 GGAF CCOc1ccccc1-c1nc2c(nc3cccc(CN4CCCC4)n32)c(=O)[nH]1 28524162 LHIHHCFCFVNTEO-UHFFFAOYSA-N 389.459 3.232 0 1 GGAF CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1 63539869 GAKKPKBEHVIOLH-UHFFFAOYSA-N 381.509 3.103 0 1 GGAF O=S(=O)(c1ccc(Cl)cc1)c1cn([C@@H]2CCCNC2)c2ncccc12 28862301 KPALTMJMYGUHON-CQSZACIVSA-N 375.881 3.447 0 1 GGAF CC(=CC(=O)OC(CO)CO)CC[C@]1(C)[C@H](C)[C@H](O)C[C@@]2(C)C(C)=CCC[C@@H]12 2356629888 SYTMXWLCUXDMOA-CVKACTFSSA-N 394.552 3.379 0 1 GGAF CC(C)C(=O)c1cccnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 25970765 ZDXPCHJGWAYLHT-UHFFFAOYSA-N 376.460 3.364 0 1 GGAF Nc1nc(N)c2c(n1)NCCC(c1ccc(NC(=O)Nc3ccccc3)cc1)=N2 29049399 DOKLITIJDLLPJM-UHFFFAOYSA-N 388.435 3.221 0 1 GGAF COCCN(CCOC)c1nn2c(-c3cccc(C)c3)nnc2c2ccccc12 33891538 WJLNYQOGYQQBGW-UHFFFAOYSA-N 391.475 3.352 0 1 GGAF COc1cccc(C2(c3cccc(OC)c3)N=C(N)N(C3CCCC3)C2=O)c1 218573278 JHJREQJHTZTNBJ-UHFFFAOYSA-N 379.460 3.047 0 1 GGAF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C)c2C)nc1 222630018 LOPSBWFFMAMMEF-QAPCUYQASA-N 392.459 3.045 0 1 GGAF COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(Cl)c2)nn1CC(C)C 148073100 CSLFHPYMBQPIGD-QWHZDKJVSA-N 389.931 3.128 0 1 GGAF COc1c2c3c(c4c1OCO4)-c1c(cccc1OC(C)=O)C[C@H]3N(C(C)=O)CC2 238746655 GQEHSVUKEXWMME-OAHLLOKOSA-N 395.411 3.018 0 1 GGAF COc1ccccc1-c1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)C1CC1)[C@H](CO)N2 95877420 OAOJJUGVVMEONK-XJABCFGWSA-N 378.472 3.448 0 1 GGAF O=C(O)[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3ccccc3Cl)c2)C1 95556586 SBFWCFHPBVYIJM-CQSZACIVSA-N 379.865 3.492 0 1 GGAF CCCc1ccc(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4C)[C@H]3C2)cc1 263590240 BAGQRZXXWHEPEV-PMACEKPBSA-N 384.501 3.371 0 3 GGAF CC(C)(C)C(=O)OCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nn1 587517462 NUDMBOWLQVDEBZ-GOSISDBHSA-N 383.448 3.410 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ncc(I)s1)[C@@H](C2)C3=O 587427481 IRHSUFJITVFPFL-ISVAXAHUSA-N 399.209 3.245 0 1 GGAF CCS(=O)(=O)c1cccc(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 586921498 BCNDGJOVHWZZJL-UHFFFAOYSA-N 380.372 3.269 0 1 GGAF CCOC(=O)[C@H](C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990244 WYFFJWGVBXTYQR-GOSISDBHSA-N 375.380 3.388 0 1 GGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc5c(cc4[nH]3)OCCO5)cc12 587036813 AIZQFSGRNPCWKE-JTQLQIEISA-N 397.460 3.082 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(O)cc1O)[C@@H](C2)C3=O 587412592 JCOYCSMQTNPJOC-BTDLBPIBSA-N 377.190 3.358 0 1 GGAF COC(=O)C1=CN(C)C(C)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587758319 IMQSTEBTAMTFNW-MLCYQJTMSA-N 395.272 3.224 0 1 GGAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnnc(O)c3[nH]2)C[C@H]2CCCC[C@H]21 587026065 KCHBAXQAVMTXIS-YUELXQCFSA-N 383.477 3.195 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)(C(F)(F)C(=O)O)N1 587708692 ZDUIRZQRYJCTMS-UOWDBTKRSA-N 378.188 3.448 0 1 GGAF FC(F)(F)c1ccn(CCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)n1 587119510 YSCZPHIGEVKPSV-UHFFFAOYSA-N 384.671 3.435 0 1 GGAF O=C(O)CCCNS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587216875 PBDWBGRSERSEFG-UHFFFAOYSA-N 396.468 3.144 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)C3CC3)CC2)N1 587768202 LMBIFRIPDILUJZ-LLVKDONJSA-N 381.289 3.350 0 1 GGAF CCOC(=O)c1coc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587585533 FMTVTCNKJFYMDW-QAPCUYQASA-N 381.340 3.260 0 1 GGAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587427791 GBHFLTGKNYEJNA-HELVRJGTSA-N 395.455 3.431 0 1 GGAF CC(C)(C)n1cc(O)c([C@@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)n1 962730188 MHHUCIBDLMIRLA-ACJLOTCBSA-N 381.398 3.253 0 1 GGAF CCn1cc(C(=O)NC(=S)Nc2ccc(C)cc2)c(-c2ccccc2)nc1=O 1772600622 NFICVBRVJCVWFP-UHFFFAOYSA-N 392.484 3.365 0 1 GGAF COc1cccc(OCc2cc(C(=O)N3CCC([C@@H](O)C(C)C)CC3)no2)c1 11662378 MTTWTYYDSBDTMM-FQEVSTJZSA-N 388.464 3.131 0 3 GGAF COCC(=O)N1CCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C1 12507351 SFZMDWWWNYNTCA-UHFFFAOYSA-N 392.377 3.489 0 3 GGAF CN(C)c1nc2c(N3CCCC3)nc(Cl)nc2nc1NCc1ccccc1 13782040 AHSORDOLPBUPIY-UHFFFAOYSA-N 383.887 3.352 0 1 GGAF C[C@H]1C[C@H](Nc2cc(=O)[nH]c3ccccc23)CCN1C(=O)c1cnn(C)c1Cl 169351300 XFNXFHLSJLRKQN-QWHCGFSZSA-N 399.882 3.020 0 1 GGAF CC(C)c1ccc(NC(=O)c2cc(N3CCc4nc(N)ncc4C3)ccn2)cc1 169710064 KIEBFKNTWMKRMP-UHFFFAOYSA-N 388.475 3.392 0 1 GGAF CCSc1nnc(-c2ccccc2S(=O)(=O)NCc2ccccc2)o1 1857618921 QFNYLGWLXRAGSC-UHFFFAOYSA-N 375.475 3.327 0 1 GGAF COc1ccc2nccc(CC[C@H]3OC[C@H](NCc4ccccn4)CO3)c2c1 1857642282 BZFHSEUZEBKXGQ-LBZQVFOQSA-N 379.460 3.102 0 1 GGAF COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NCCO 2483865 LYGDYBMGDHRGNX-UHFFFAOYSA-N 397.269 3.132 0 1 GGAF Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)o1 100275923 YXZQGPJLTCMENA-MSOLQXFVSA-N 381.359 3.472 0 1 GGAF CCOC[C@H]1C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@H]2C)[C@]31CC=CN(C(=N)NC)C1 103524980 ZUZIRKLITHSRDD-ZRZIHDEQSA-N 387.524 3.220 0 1 GGAF biogenic,in-vitro Brc1cccc(CN[C@@H]2[C@@H]3[C@@H]4[C@H]5C[C@@H]3[C@@H]3[C@H]5[C@H]([C@@H]23)C42OCCO2)c1 101263657 WAUBOCWMTBAXMK-YFSMOWGYSA-N 388.305 3.038 0 1 GGAF COC(=O)c1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2 40936787 HBBGZXQWDINZIA-MRXNPFEDSA-N 377.400 3.053 0 1 GGAF NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccc(Cl)s2)nc1 198997204 PUQCZOGBUKRXKB-HNNXBMFYSA-N 385.876 3.290 0 1 GGAF c1ccc2c(c1)OC[C@H](CCN1CCC[C@@H](c3ccnc(NC4CC4)n3)C1)O2 40913600 VXCQRJMZNAHDSU-AEFFLSMTSA-N 380.492 3.460 0 1 GGAF CC(C)CNC[C@H](O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F 224563165 OTQWBYLBZIEPDQ-HNNXBMFYSA-N 388.487 3.118 0 1 GGAF O=C(NCc1cccc(Cl)c1)[C@H]1CCC[C@H](Nc2ncnc3nc[nH]c23)C1 221316576 PSUYBUSZSNZFBV-ZFWWWQNUSA-N 384.871 3.293 0 1 GGAF NC(=O)[C@@H](N)CCC(=O)Nc1ccc(Oc2ccc(-c3ccoc3)cc2)cc1 40917479 LYOSKDSEWRJQAH-IBGZPJMESA-N 379.416 3.270 0 1 GGAF in-vivo CN(Cc1c(F)ccc(Cl)c1F)C(=O)c1cc(-c2cnn(C)c2)cnc1N 84704012 LMBRYSIUTJCASU-UHFFFAOYSA-N 391.809 3.268 0 1 GGAF O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC2CCNCC2)CC1 45373277 SMXYGIYCXXQYLV-UHFFFAOYSA-N 391.559 3.352 0 1 GGAF O=c1[nH]c([C@@H]2CC[C@@H]2c2ncccn2)nc2c1cnn2C1CCC(F)(F)CC1 145053075 LRRFQGYMGYXVHJ-QWHCGFSZSA-N 386.406 3.321 0 1 GGAF Brc1ccc(OCCO[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 148465069 ZRKQIHYNSZCMGE-ZWKOTPCHSA-N 384.314 3.488 0 1 GGAF CCOC(=O)[C@@H](C)Oc1ccc([C@@H]2NC(=S)N=C(C)/C2=C(\O)OCC)cc1 621475182 OGRVEOPDZQGRKM-WLNCKZFXSA-N 392.477 3.213 0 1 GGAF CN1CC(S(=O)(=O)c2ccc3c(c2)nc(CC(C)(C)C)n3CC2CC2)C1 299822624 DARGRLYIWOVHCP-UHFFFAOYSA-N 375.538 3.123 0 1 GGAF COc1cc(CCNCc2cccnc2OC)c(OC)cc1Br 473110907 XKSCFRKBRGYPPN-UHFFFAOYSA-N 381.270 3.202 0 1 GGAF COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCN(C)C 653850174 OMKGWBMUCLVMLL-UHFFFAOYSA-N 386.427 3.476 0 1 GGAF CN(C)CCOc1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587173781 JEBGBWPQTMOXDH-NRFANRHFSA-N 383.423 3.271 0 1 GGAF CCc1cc(=O)oc2cc(O[C@@H](C)c3ccc4c(O)nc(O)nc4n3)ccc12 587563288 QXRCJOJUQMANLP-JTQLQIEISA-N 379.372 3.245 0 1 GGAF O=CO[C@@H](C(=O)c1c(CO)oc2cc(Br)cnc12)c1ccccc1 587276385 NOYPLIDPLRVDJF-QGZVFWFLSA-N 390.189 3.180 0 1 GGAF Nc1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1N 586961869 YMAGHVOSZRKSTE-QHCPKHFHSA-N 393.310 3.230 0 1 GGAF CCOC(=O)/C(=C/N(C)C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587751937 CATGRIMUNWGTGH-PQRCPXHRSA-N 399.304 3.346 0 1 GGAF C[C@]1(Cn2c(=O)oc(=O)c3ccccc32)CC(=O)c2ccc3c(c2O1)CCCC3 587518497 JMMCXRHXAIBBGO-HSZRJFAPSA-N 391.423 3.258 0 1 GGAF CC(=O)Nc1cccc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 587242714 PWYNYRIDWMYOKL-UHFFFAOYSA-N 397.378 3.406 0 1 GGAF O=C(O)c1ccc2c(c1)[C@]1(C(=O)N2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962716827 WNKZKPJVFNARBL-ASSNKEHSSA-N 398.459 3.083 0 1 GGAF CCCc1ccc([C@@]2(C(=O)OCC)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963026071 NEZGYRQFXNJYOD-MZNJEOGPSA-N 392.499 3.499 0 1 GGAF CC[C@]1(c2c[nH]c(C(=O)N3CCOCC3)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963108490 PCMNQSHPLGWVJM-CVDCTZTESA-N 397.494 3.300 0 1 GGAF CC1([C@]2(C)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)COCOC1 963177398 JQTBOFCRCMSJIL-BDJLRTHQSA-N 393.789 3.184 0 1 GGAF CO[C@@H](c1ccccc1)c1nnc(CCC(=O)N(C)CCc2ccccc2)o1 12386634 PABUIDWORFLAJC-NRFANRHFSA-N 379.460 3.439 0 3 GGAF Cc1c(CC(=O)O)c2cc(OCCO)ccc2n1C(=O)c1ccc(Cl)cc1 13862791 ULSXNQVHBXBRTL-UHFFFAOYSA-N 387.819 3.290 0 1 GGAF COc1ccc(O[C@H](C)CN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 205637521 YVEBIHRSAGYHFR-QGZVFWFLSA-N 393.487 3.402 0 1 GGAF CC=CC=CCC[C@]12OCC[C@@H]3OC[C@](OC(=O)c4ccccc4N)(CO1)[C@H]32 2356326168 VBMCKMSEFYEVBY-LGGPRVQUSA-N 385.460 3.239 0 1 GGAF CCCCC[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](N3CCCC3)C(=O)N21 26953867 BVJROXPAKCJCCZ-ZJOUEHCJSA-N 394.519 3.094 0 1 GGAF CCOC(=O)C1=C[C@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccc(Cl)cc2)=N1 100984465 GMYYGNRUQILTIY-GDBMZVCRSA-N 394.814 3.296 0 1 GGAF NC(=O)c1cc(C(N)=O)n(-c2cccc(-c3cccc(Cl)c3Cl)c2)n1 66258261 DGWRNHGCWSDWKG-UHFFFAOYSA-N 375.215 3.044 0 1 GGAF COc1cc(C)cc(O)c1C(=O)c1cccc(OC=C[C@@H](C)C(=O)O)c1C=O 2356525483 QLMLRTCODOKNMY-CYBMUJFWSA-N 384.384 3.366 0 1 GGAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1C[C@@H](O)CN1C(=O)c1cnccn1 72176693 IKTDDYJJPQAFAC-OXQOHEQNSA-N 394.862 3.449 0 1 GGAF O=C(CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1ccccc1)C2)Nc1ccccc1 1911572557 JGMHDOYMMADCTL-MZADTFQBSA-N 377.488 3.441 0 1 GGAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc2c1OCO2 14589831 FHVJDYZMZCJFRZ-LHHVKLHASA-N 384.384 3.228 0 1 GGAF biogenic COC(=O)c1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)cc1 299866418 OXUOKMOVKIGHHN-UHFFFAOYSA-N 392.459 3.171 0 1 GGAF O=c1c2cc(OCCCN3CCCC3)ccc2nc2n1CCc1ccccc1-2 299827736 HNMLEEQDOJHSLD-UHFFFAOYSA-N 375.472 3.484 0 1 GGAF Cc1cccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)c1 653709745 YWURQCJWXQSWEY-UHFFFAOYSA-N 396.487 3.207 0 1 GGAF COc1ccc(OCc2cn(Cc3cc(=O)oc4ccc(C)cc34)nn2)cc1 653773271 WRTKZNAYPAIGGS-UHFFFAOYSA-N 377.400 3.329 0 1 GGAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 587240718 PLFMFWUJTQEABC-UHFFFAOYSA-N 376.804 3.090 0 1 GGAF COC(=O)[C@H]1Cc2nc3cccc4c3c(c2[C@H]1C(=O)OC)-c1ccccc1C4=O 587105880 BHAKUVJMBZFCKI-LIRRHRJNSA-N 387.391 3.048 0 1 GGAF Cc1ncncc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656824 QRPGSIJIPMKJJP-UHFFFAOYSA-N 378.338 3.129 0 1 GGAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586962283 PCXQXQDDKOCMJN-VIFPVBQESA-N 393.476 3.325 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)(C(F)(F)C(=O)O)N1 587708691 ZDUIRZQRYJCTMS-NXSYQRQQSA-N 378.188 3.448 0 1 GGAF CC1(C)CCC(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CC1 587960901 NRHIEFPEYDGZQU-UHFFFAOYSA-N 391.537 3.343 0 1 GGAF Cc1cc2c(cc1O)[C@@](c1ccccn1)(c1cc(F)ccc1F)N[C@H](C(=O)O)C2 963466165 CUJDPGIHXBBNGW-AVRDEDQJSA-N 396.393 3.265 0 1 GGAF CCOC(=O)[C@H]1CSCC[C@@]12c1cccc(Br)c1CCN2C 963270691 QSRNYSFHWPUULN-RHSMWYFYSA-N 384.339 3.449 0 1 GGAF CCOc1ccc([C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cn1 962672975 USAXFVCCCNDQDV-SIKLNZKXSA-N 377.444 3.217 0 1 GGAF COC/C=C/c1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@H]1CCCNC1 1772573719 HMSVYVJNUGHJAR-GFAPAMAISA-N 383.279 3.026 0 1 GGAF Cn1c(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)cc2sccc21 5085061 KRAIUGRKDJPJNF-MRXNPFEDSA-N 381.501 3.408 0 3 GGAF NC(=O)c1cccc(NCC2=CC[C@H](c3cc(F)c(F)cc3F)[C@@H](N)C2)c1 14950362 VDIQELAZMIFVDS-KUHUBIRLSA-N 375.394 3.446 0 1 GGAF CCCCCCNC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(C(C)=O)c1 169317356 FPIMQOVENPVZLN-GOSISDBHSA-N 393.528 3.329 0 1 GGAF COc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1 169345917 ICVHOHKWQRXBSS-YRNVUSSQSA-N 378.472 3.310 0 1 GGAF C[C@H]1CN(C(=O)c2ccc(C(=O)O)cc2)Cc2c(O)nc(-c3ccccc3)nc21 1857560214 YGSYGGCUGNUUSJ-ZDUSSCGKSA-N 389.411 3.307 0 1 GGAF CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)O)c3ccccc3C(=O)N1CC2 2456090 ZHHWIEMJMXQFCH-PMACEKPBSA-N 381.428 3.405 0 1 GGAF CC(C)[C@H](OC(=O)CCCC(=O)Nc1nccs1)C(=O)NC1CCCCC1 4967489 DTALMRXEKCMXRE-KRWDZBQOSA-N 395.525 3.269 0 3 GGAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F 28232731 FSSSDPWFJBFSRT-CIWJSOGRSA-N 387.448 3.422 0 1 GGAF COC(=O)CSc1nc(SCc2ccccc2)nc2nc(N)sc12 28570011 PSCVTVJGKJCXJP-UHFFFAOYSA-N 378.504 3.226 0 1 GGAF COc1cc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2C(C)=O)cc(OC)c1OC 64373428 AXJHFRFVPWAUQX-LJQANCHMSA-N 397.475 3.476 0 1 GGAF CC(C)[C@@H](O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 36486820 RIHOLXRQBXNRMS-OXQOHEQNSA-N 387.432 3.379 0 1 GGAF COC(=O)C1=C(OC)C(=O)O[C@@H]1C1=C(Cl)c2ccc3ccccc3c2OC1 1911582135 HLORCSVJJJFPBF-QGZVFWFLSA-N 386.787 3.181 0 1 GGAF COc1cccc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)c1 220718661 NTYCQRSCQKAIKY-JOCHJYFZSA-N 380.444 3.090 0 1 GGAF CCOP(=O)(OCC)[C@@H](OC(C)=O)c1cc2cccc(C)c2n2nnnc12 49049520 YWFFHYVXTMIGAH-QGZVFWFLSA-N 392.352 3.414 0 1 GGAF CC(C)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@@H](C)N2 82207199 CBQRIOOCLYIEFB-LLVKDONJSA-N 397.306 3.247 0 1 GGAF CC(C)(C)n1nnnc1[C@@H](C1CC1)N1CCC(n2c(O)nc3ccccc32)CC1 95601360 ZGGVTJFVCPXJFL-GOSISDBHSA-N 395.511 3.272 0 3 GGAF C[C@@H]1CC[C@@H]2C(=O)N3CCC[C@H]3C(=O)N2[C@H]1c1ccc(Br)cc1 253993205 OPKHASDRVSLFHV-MSQAHXEGSA-N 377.282 3.122 0 1 GGAF Cc1cs/c(=N\C(=O)c2cnn(C)c2)n1-c1ccc(Br)cc1 473087243 DQZMRDOVRCHZSP-SDXDJHTJSA-N 377.267 3.084 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1ccncn1 587585448 DTTMQRMZPVQDJP-REWPJTCUSA-N 397.390 3.483 0 1 GGAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1 587012903 UOGXRERVGOAYAD-UHFFFAOYSA-N 384.486 3.233 0 1 GGAF O=C(O)c1cc(F)cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587118505 NSIFDVROKVMKBG-UHFFFAOYSA-N 395.272 3.319 0 1 GGAF NS(=O)(=O)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587074895 FOMHCYJAXSRKIB-KRWDZBQOSA-N 390.896 3.201 0 1 GGAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(CC(=O)OCC)c1C)CC2=O 587474389 DCDXCDBTUQANHW-SFHVURJKSA-N 386.448 3.428 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCC(=O)[C@H](C)NC(=O)OC(C)(C)C)O2 587391148 SMQVWKSDSQSSRK-QWHCGFSZSA-N 376.453 3.174 0 1 GGAF N=c1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c[nH]1 586962460 XASYZKAXAVILEI-VHSSKADRSA-N 397.504 3.065 0 1 GGAF O=C(N[C@@H](c1ccccc1)c1nc2c(S)nc(S)nc2[nH]1)c1ccccc1 587225577 XUVYPXQYHITOED-ZDUSSCGKSA-N 393.497 3.450 0 1 GGAF CCOC(=O)[C@]1(c2ccsc2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962622354 BSNCRGXJZGGBSK-XCLFUZPHSA-N 375.490 3.448 0 1 GGAF NC(=O)c1cccc(-c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1 169169428 BASCQJGJODQYBD-UHFFFAOYSA-N 377.419 3.145 0 1 GGAF CSc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2ccccc2)s1 169689027 ZTUWNGSSKBLNAG-STQMWFEESA-N 399.453 3.009 0 1 GGAF CCc1c2c(nn1C)CCN(c1ncnn3c(C)nc(-c4ccccc4F)c13)C2 169711744 VXPFYTLYXUNGJO-UHFFFAOYSA-N 391.454 3.097 0 1 GGAF CN(c1ncc(F)cn1)[C@@H]1CCc2c(CC(=O)O)c3cc(Cl)ccc3n2C1 203541091 LXOQTUMBZNDLSM-CYBMUJFWSA-N 388.830 3.302 0 1 GGAF C[C@@H]1C(=O)N(C)c2ccc(C(=O)N[C@H]3CCc4ccccc43)cc2N1C1CC1 1857646700 WJEPRLLCPVYJLY-KUHUBIRLSA-N 375.472 3.438 0 1 GGAF COc1cc(/C=C2\C(=O)OC\C2=C\c2ccc3c(c2)OCO3)cc(O)c1OC 1857650053 URMBOCOIDLUHOC-IZUVBVRISA-N 382.368 3.162 0 1 GGAF COc1ccc(NC(=O)[C@H]2CCCN2C(=O)NC2CCCCC2)cc1OC 1379642 SLAPHRBVZIXONL-MRXNPFEDSA-N 375.469 3.149 0 3 GGAF Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3 1493719 LEDYBEGWCAWDCY-ICSRJNTNSA-N 395.478 3.441 0 1 GGAF CN(C)CCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21 3815567 GQDVHGJYRQHKDS-UHFFFAOYSA-N 392.290 3.299 0 1 GGAF COC(=O)[C@H]1[C@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C 3919236 SIIICDNNMDMWCI-XQLPTFJDSA-N 385.245 3.031 0 1 GGAF in-man CC=C(C)C(=O)O[C@@H]1C[C@H](O)[C@H](O[C@@H](C)CCCCCCC(=O)O)O[C@H]1C 2356345000 IARVMWOCDIKRTC-RXBWTVHKSA-N 386.485 3.191 0 1 GGAF CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccc(Cl)cc2)=N1 102007368 SKORVOHLSVUVBH-ZBFHGGJFSA-N 394.814 3.296 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)C[C@]3(O)OCC(C)=C3C[C@@H]2[C@@]1(C)OC(C)=O 2356471058 JHTLQVLEKIVDRK-YEYKPMIPSA-N 392.492 3.432 0 1 GGAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1[C@H]2CCC[C@@H]1C[C@@H](C(N)=O)C2 101069225 VSBPAZLSKLWBGS-ZZNDEYBLSA-N 378.900 3.294 0 1 GGAF O=C1N[C@H](C(=O)O)Cc2cccc(c2)OCCCCOc2ccc(Cl)c1c2 103258305 KXYKFCPLPVZYME-SFHVURJKSA-N 389.835 3.317 0 1 GGAF COc1cc(NS(=O)(=O)CCc2ccccc2)ccc1-c1cncnc1C 114027867 LSUAHUTZZUQRMD-UHFFFAOYSA-N 383.473 3.445 0 1 GGAF CC[C@H](CC[C@@H](O)C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O)CNC 2356511146 ZKZBDQUWMKYYHZ-BHIYHBOVSA-N 381.513 3.042 0 1 GGAF COc1ccc2nc(C[C@H]3CN(C(=O)C(C)(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356667931 WKJOEEXKGBFLPT-KGLIPLIRSA-N 387.480 3.100 0 1 GGAF COC(=O)C(=C1OC(=O)C(c2ccc(OC)cc2)=C1OC)c1ccc(OC)cc1 2356670061 YMKVBCRZKHLPMY-UHFFFAOYSA-N 396.395 3.202 0 1 GGAF O=C(CC1(n2cccc2)CCSCC1)NC[C@@H]1CCCN2CCCC[C@@H]12 2356762811 WEJIMMLFSRVGHE-OALUTQOASA-N 375.582 3.481 0 1 GGAF COc1ccc(NC(=O)[C@@H]2Cc3c(-c4ccncc4)ccnc3O2)cc1OC 61905461 PZVSFWRDFRUACN-IBGZPJMESA-N 377.400 3.103 0 3 GGAF CCN(CC)C(=O)[C@H](C)[C@@H]1CCc2c(C)cc(OCCOC)c(C)c2[C@@H]1O 6274483 HQYADZTWSICTSK-FYINFDKHSA-N 377.525 3.429 0 1 GGAF biogenic Nc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cn1 73295760 ILZOXOXMCMRNKB-UHFFFAOYSA-N 378.480 3.322 0 1 GGAF CCN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 38143385 YRXXFSNQKRFSPW-INIZCTEOSA-N 385.460 3.345 0 1 GGAF CNCCCN1Cc2ccccc2N(c2ccc(F)c(Cl)c2)S1(=O)=O 49049106 AOJOZQNALFJCNW-UHFFFAOYSA-N 383.876 3.287 0 1 GGAF NC(=O)c1ccc(-c2cn(-c3ccc4c(c3)OCO4)c(-c3ccccn3)n2)cc1 43121832 JIECZPMQFOMRBV-UHFFFAOYSA-N 384.395 3.429 0 1 GGAF O=C([C@@H]1CCc2c(Cl)cc(NCc3ccc(F)cc3)c(=O)n21)N1CCCC1 40917242 GAGITQGLTBGQIQ-SFHVURJKSA-N 389.858 3.363 0 1 GGAF COc1ccc(-c2csc(N[C@@H](Cc3c[nH]cn3)C(=O)NC(C)C)n2)cc1 82192143 PUQFKVZPCJDAGB-INIZCTEOSA-N 385.493 3.090 0 1 GGAF COc1cc(NC(=O)Cn2ncc3c(=O)oc4ccccc4c32)ccc1Cl 98209199 DJHSRZJOSYWGCG-UHFFFAOYSA-N 383.791 3.443 0 1 GGAF in-vitro CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C(=O)c1cccc(F)c1)C(C)C 95895436 USOTUYHXXLHJHR-BDTNDASRSA-N 398.478 3.052 0 1 GGAF COc1cc(C(=O)c2nc(-c3ccnc(Cl)c3)no2)cc(OC)c1OC 653708653 GOWCEGKYWSLPGX-UHFFFAOYSA-N 375.768 3.042 0 1 GGAF O=C(O)/C=C/c1ccccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586878550 GFTBFBZLDAXAHL-ZHACJKMWSA-N 387.399 3.387 0 1 GGAF CN(C)CCOc1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 587044024 XOAZJEPCTYNTCQ-MRXNPFEDSA-N 376.526 3.123 0 1 GGAF CCOc1ccccc1[C@](N)(c1nc2cc3nc(O)[nH]c3cc2[nH]1)C(F)(F)F 587091871 HAZHTLSNMPTWSK-KRWDZBQOSA-N 391.353 3.308 0 1 GGAF CCc1ccccc1NC(=O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587241640 ZYNBNGIBNMGXSJ-UHFFFAOYSA-N 388.431 3.437 0 1 GGAF COC(=O)c1cc2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc2cc1OC 587116524 GAQAYSZYWZIDNI-UHFFFAOYSA-N 388.733 3.431 0 1 GGAF CCn1cc(Br)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587416470 BZUSHSDFBQSWCG-DIFFPNOSSA-N 377.238 3.337 0 1 GGAF O=C1CSC[C@@H]2Nc3ccnn3[C@H](c3ccc(F)c(Br)c3)[C@@H]12 169305790 YNZQUMXEPSTFGV-NILFDRSVSA-N 382.258 3.100 0 1 GGAF O=C(O)c1ccc(-c2n[nH]c3c2Cc2cc(CNC4CCC(O)CC4)ccc2-3)o1 169693389 MZQWYSZBWJZQEL-UHFFFAOYSA-N 393.443 3.332 0 1 GGAF COc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc3c2OCO3)c1 201488763 KUXXQACKQGMWTM-INIZCTEOSA-N 383.404 3.059 0 3 GGAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)c1cc2cnccc2[nH]1 205802661 VZVMYEUFFHYQQI-OAHLLOKOSA-N 384.480 3.330 0 1 GGAF CSc1ncc2c(n1)CCc1cnc(Nc3ccc(C(=O)N(C)C)cc3)nc1-2 1857773280 FCBCJUGNGBLRQE-UHFFFAOYSA-N 392.488 3.200 0 1 GGAF Nc1nc(Cl)c(N)c(NC[C@@]2(CO)CC[C@@H](CCc3ccccc3)C2)n1 1658379 IJKXANOLARVCFK-AUUYWEPGSA-N 375.904 3.118 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CC[C@](C)([C@@H]2C=C[C@](C)(O)CC2)O[C@]1(C)COC(C)=O 2356396578 OYQMZQOODNGOAA-VBCWZRPASA-N 394.508 3.473 0 1 GGAF CCc1cc2c(cc3c(=O)n(CC(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)ncn32)s1 6749555 WXLHPRCCYZJNIP-VNHYZAJKSA-N 386.521 3.214 0 1 GGAF O=C1NCC2(N3CCOCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 116202426 OWGUGCNUZLQXNF-NJRHGXBZSA-N 376.500 3.165 0 1 GGAF COc1ccc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5o4)C[C@@H]3C2)c(OC)c1 116822603 KJXRSQLGIYNXNQ-GASCZTMLSA-N 393.443 3.053 0 1 GGAF CC(=O)O[C@@H]1[C@H](O)[C@@H]2[C@H](C)c3ccoc3C[C@@H]2[C@]2(C)CCCC(C)(C)[C@@]12O 2356614008 DVJYNSFOWSNODP-YNQWETOBSA-N 376.493 3.425 0 1 GGAF COc1ccc(NC(=O)[C@]2(C)CCN2CCOc2ccc(C)cc2)cc1OC 61907552 YCGQLVIPYVHBQK-QFIPXVFZSA-N 384.476 3.494 0 3 GGAF CC1(C)CC[C@H](C(=O)N2CCC[C@H]2C(=O)O)[C@H]1SC(=O)c1ccccc1 27411652 TXJJUUYYKFMQBQ-HRCADAONSA-N 375.490 3.440 0 1 GGAF C[C@@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(Cl)c1Cl 219151975 MALWKRIWHLIWMW-SNVBAGLBSA-N 389.246 3.086 0 1 GGAF Oc1ccc(-c2nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)co2)cc1 72102829 QEICHNTWLDBZJW-UHFFFAOYSA-N 393.443 3.094 0 1 GGAF Cc1nc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc2n1C 1911576991 OLYKIPOTLALHPL-UHFFFAOYSA-N 390.274 3.202 0 1 GGAF COc1cc([C@@H]2C[C@H](O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC 40933379 QIVJEPKRLFVSAS-JSGCOSHPSA-N 390.432 3.307 0 1 GGAF Cc1[nH]c(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)cc1C(N)=O 226120761 ZZTOGTBTPJGXNS-UHFFFAOYSA-N 385.445 3.253 0 1 GGAF CCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@@H](c1ccccc1)CN2 82208958 WHOFXASJGBRHRZ-GOSISDBHSA-N 394.450 3.186 0 1 GGAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 299874342 BGAFBUDOOJUNFM-UCLAIMLFSA-N 390.842 3.458 0 1 GGAF Cc1cc(Br)c2nc(-c3ccc(CS(N)(=O)=O)cc3)[nH]c2c1 586930469 FEIYUWINBFLDRU-UHFFFAOYSA-N 380.267 3.089 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)O)n(C)c2)N1 587752284 QOFIJIYAXBSNBZ-VVVCHXIZSA-N 381.245 3.423 0 1 GGAF Cc1cc(-c2nc3ncnc(Cl)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124861 MKWSZSWPPVWZRG-UHFFFAOYSA-N 391.762 3.243 0 1 GGAF C[C@H](C(=O)O)c1cc2c(O)nc(O)nc2nc1-c1cccc(Br)c1 587367534 YBKZVRICZOUCRJ-ZETCQYMHSA-N 390.193 3.054 0 1 GGAF O=C1O/C(=C\c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c2ccccc21 586905897 GCHMVDYGQPSEHK-GDNBJRDFSA-N 385.383 3.291 0 1 GGAF CCc1nn(C)c(OC)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581481 LIDDMUBMXVFAMX-YLJYHZDGSA-N 380.400 3.400 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2c1 587177958 IXBNZGCJTZHUGJ-UHFFFAOYSA-N 382.848 3.448 0 1 GGAF CCOC(=O)[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587773102 HZOPKIHTOSSKOJ-ZMZPIMSZSA-N 393.256 3.324 0 1 GGAF O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cc3ccccc3o2)CC1 46885909 ASKXPHPOFWRGTA-UHFFFAOYSA-N 394.387 3.331 0 1 GGAF COC[C@@H]1CCCN(C(=O)[C@@H]2CCCN(c3nc(C)c4ccc(C)cc4n3)C2)C1 11966398 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CN(C(=O)CCCCOc1ccc2c(c1)CN1CC(=O)N=C1N2)C1CCCCC1 26950218 LUVOXRYJFUJCAC-UHFFFAOYSA-N 398.507 3.151 0 1 GGAF COc1ccc2c(n1)N(C1CCN([C@@H]3C=CCCCCC3)CC1)C(=O)CC(=O)N2 114073263 NEQQBFAZUUAWQM-MRXNPFEDSA-N 398.507 3.119 0 1 GGAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](Cc4ccc(=N)[nH]c4)C3)CC[C@H]1[C@](N)(CCO)C2 2356509782 APTJHZQAAILDDY-XIQGKOAISA-N 387.568 3.271 0 1 GGAF CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CC[C@@H](N3CCC[C@@H]3C)C2)cc1C 118858071 QXHDJHWLJKVICN-WEYGHZABSA-N 398.551 3.007 0 1 GGAF COc1cc2c(cc1OC)[C@H]1O[C@H](OC)c3c(ccc4c3OCO4)[C@H]1N(C)CC2 31771989 STJFYCWYHROASW-SJBKTWHCSA-N 399.443 3.378 0 1 GGAF C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CC[C@H](c2ccccn2)NC1=O 212179090 QTIFEOZYTGKTHW-IIAWOOMASA-N 394.500 3.478 0 1 GGAF CCn1c(-c2ccc(OC)cc2)cs/c1=N/c1ccc(S(N)(=O)=O)cc1 1911584368 JWKBWEYBRALRKC-CZIZESTLSA-N 389.502 3.125 0 1 GGAF C[C@@H](NC[C@@H]1Cc2ccccc2OS(=O)(=O)N1)c1cccc2ccccc12 72105186 YQTJNTGBFSILKB-QAPCUYQASA-N 382.485 3.329 0 1 GGAF Cn1cc(-c2cc(F)c3nnc(Cc4ccc5nc(N)sc5c4)n3c2)cn1 299857543 FKMBTSMUOCRZDS-UHFFFAOYSA-N 379.424 3.052 0 1 GGAF N[C@@H](Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)c1ccc(Br)cc1F 587145275 VOEMEJGSLQJCHV-BLLLJJGKSA-N 392.232 3.431 0 1 GGAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc4c(cc3[nH]2)OCCO4)cc1 587244501 KJTXZAPMRDSDNX-UHFFFAOYSA-N 390.399 3.474 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn3c(=O)ccnc23)N1 587790571 IOGFIEXLNBQWGE-BTDLBPIBSA-N 388.240 3.220 0 1 GGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(Br)cc2[nH]1 587231248 NAFDGLJLFXJLLB-OLZOCXBDSA-N 380.286 3.362 0 1 GGAF O=C(N[C@@H](c1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccccc1 587225005 UTLITBOKMBRXDH-FQEVSTJZSA-N 395.426 3.058 0 1 GGAF COc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2n1 587000396 JRAKWDRGXSBSNS-LBPRGKRZSA-N 386.253 3.453 0 1 GGAF Cc1cc2ncc(-c3nc(-c4ccc(N(C)S(C)(=O)=O)cc4)cs3)cn2n1 587923961 UZTSJAAGAGLMSU-UHFFFAOYSA-N 399.501 3.224 0 1 GGAF Cn1ncnc1[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337567 BIGZWRFYBHPCIB-NQIIRXRSSA-N 379.391 3.324 0 1 GGAF Cc1nc(O)nc(S)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587847732 XWECPVDLYHGONM-HYORBCNSSA-N 398.301 3.479 0 1 GGAF CNC(=O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587509479 DAYHVEWZQVVQQE-FQEVSTJZSA-N 395.455 3.405 0 1 GGAF COc1ccc([C@@]2(CCCCC(=O)O)NCCc3c(C)ccnc32)c(OC)c1 963073526 VHXZZAYFUMONFW-JOCHJYFZSA-N 384.476 3.442 0 1 GGAF COc1ccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)cc1 14955099 VEHHKKTYLZXDPY-UHFFFAOYSA-N 387.207 3.348 0 1 GGAF N[C@H]1CN(c2cc(N3CCCCC3)ncn2)CC[C@@H]1c1cc(F)c(F)cc1F 14958837 IPTAMZVWWALSMA-ACJLOTCBSA-N 391.441 3.205 0 1 GGAF O=C(O)CCC/C=C\C[C@@H]1[C@H](/C=C/[C@H](O)C2CCCCC2)[C@@H]2O[C@@H]1[C@@H]1O[C@H]21 169360645 BLPTUHHFIMEDBU-KJGHHPFLSA-N 376.493 3.466 0 1 GGAF COc1ccc(Cn2c(C)cc3c(Oc4cc(CN)ncn4)cccc32)cn1 1857540029 QNDOYQYLIJNPQW-UHFFFAOYSA-N 375.432 3.443 0 1 GGAF COc1cc(-c2nc(S(C)(=O)=O)n[nH]2)ccc1OCc1ccccc1Cl 1857752192 XEGXRSMTTAIUSD-UHFFFAOYSA-N 393.852 3.116 0 1 GGAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H](C)CN(C)C 4048991 KLMFFBDOURYFNH-AQKFKSFVSA-N 395.503 3.243 0 1 GGAF O=C(O)c1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCN(c2ccccc2)CC1 4057436 OWXPVOOCDZDFSN-UHFFFAOYSA-N 397.862 3.411 0 3 GGAF C(=C/c1ccccc1)\CN1CCN(C[C@H]2ON=C3c4ccccc4OC[C@H]32)CC1 26648694 MUUSOYWTPTTZII-DDXHDORGSA-N 389.499 3.129 0 1 GGAF O=C(O)CC/C=C\C[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F 28231060 MXMRPMLIUHJZJN-FAPRRBDYSA-N 387.448 3.279 0 1 GGAF c1cncc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3ccc4c(c3)OCO4)cc2)c1 100107506 MOWVSYWSPRYQKN-RUMRUAAYSA-N 385.467 3.417 0 1 GGAF Cc1cccc(Nc2ncnc3cnc(NCCCN4CCOCC4)cc23)c1 21289186 BJYJRYMXVLVRPI-UHFFFAOYSA-N 378.480 3.211 0 1 GGAF Cn1ccnc1[C@@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@H]1c1ccc(F)cc1 117894726 LJXPYHXSPQXFKB-IRXDYDNUSA-N 379.370 3.234 0 1 GGAF COc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)c1 116589873 ADFGBBCROKWRPS-UGSOOPFHSA-N 382.485 3.369 0 1 GGAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC[C@@H]3C(=O)OC[C@@H]3[C@@]21CO 2356803076 WRNVUAQTKPLALF-ZNKAIZOUSA-N 378.509 3.332 0 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1857570327 SVTYKQJVCXBJNT-SFHVURJKSA-N 380.488 3.221 0 1 GGAF COc1cccnc1C1CCN([C@@H]2CCCN(c3cncc(C)n3)CC2)CC1 1857609236 HUWYBEWGYFKEDJ-LJQANCHMSA-N 381.524 3.427 0 1 GGAF Cc1ccccc1C1=NN(C(=O)COc2ccccc2)[C@](O)(C(F)(F)F)C1 1857752721 CIQJRAHTVYAIBG-GOSISDBHSA-N 378.350 3.261 0 1 GGAF COC(=O)c1cc(=O)c2cc(NC(=O)Nc3ccc4c(c3)CCC4)ccc2[nH]1 1857758997 OZEXGFIGGZEADZ-UHFFFAOYSA-N 377.400 3.447 0 1 GGAF CCCn1c(N2CCN(C(=O)NCc3ccccc3)CC2)nc2ccccc21 1370959 ICDPRLKCQPHMIU-UHFFFAOYSA-N 377.492 3.478 0 3 GGAF CCn1cnc2c(Nc3cccc(OC)c3)nc(N[C@H]3CC[C@H](N)CC3)nc21 100821304 BSXHXBRBSQUJGH-OKILXGFUSA-N 381.484 3.280 0 1 GGAF NC(=O)CCC/C=C1\C[C@@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)C3Cc4ccccc4C3)[C@@H]2C1 26158855 XMDZQTWKEARRJU-XDYLQCEMSA-N 395.543 3.308 0 1 GGAF CCOC(=O)C[C@H]1CCc2ccc(NC(=O)c3ccc(C(=N)N)cc3)cc2C1 27328172 GOTSGLYTIGHIRU-AWEZNQCLSA-N 379.460 3.281 0 1 GGAF N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@H](CC(=O)O)C3=O)c(Cl)c1 27302540 CZEAWFMLBALEFP-LLVKDONJSA-N 399.834 3.096 0 1 GGAF O=c1[nH]nc(-c2ccnc(N[C@H]3CCCOC3)c2)n1-c1ccc2ccccc2c1 66252770 WTYOGZPSBLDMQY-SFHVURJKSA-N 387.443 3.367 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@@H](N1CCN(Cc3ccccc3)CC1)CC2 29039243 OOGYMCIFGCYJQS-FQEVSTJZSA-N 380.488 3.019 0 1 GGAF CC(=O)O[C@@H]1C(=O)[C@H](C)[C@]2(CC[C@]3(COC(=O)C3)O2)[C@@]2(C)CCCC(C)(C)[C@H]12 2356831515 JPVLHYPFQFKCNU-OIVCESQJSA-N 392.492 3.204 0 1 GGAF O=P(O)(O)[C@@H](CCCc1cccc(Nc2ccccc2)c1)S(=O)(=O)O 40898515 CSBMAVBLBVKTJH-MRXNPFEDSA-N 385.378 3.145 0 1 GGAF Cc1cccc(N2CCC(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c1C 40859833 LWHWFUUDKRUCSU-UHFFFAOYSA-N 379.460 3.489 0 1 GGAF O=C(Nc1ncnc2[nH]cnc12)c1cccc(-c2ccc(-n3ccnc3)cc2)c1 653798251 RPWVEYHVQPBMTK-UHFFFAOYSA-N 381.399 3.458 0 1 GGAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(S)nc(S)nc3[nH]2)s1 587023331 IWNPHYHACXQAAQ-UHFFFAOYSA-N 382.496 3.401 0 1 GGAF O=C(O)c1cc(F)cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587085512 XGQLQPHXTWDFLN-UHFFFAOYSA-N 375.791 3.228 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@]2(Cl)CCOC2=O)N1 587695310 RGOSDEVJPRROOD-KBOAJJQZSA-N 376.653 3.262 0 1 GGAF FC(F)(F)[C@@](F)(Cl)c1nc2cc(I)cnc2[nH]1 587089317 ADWZJXOPINDTPX-SSDOTTSWSA-N 379.482 3.486 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cnccn2)N1 587742837 UGLFFBSJBIMALK-MTJAABNWSA-N 391.288 3.231 0 1 GGAF CCOC(=O)CN(C)c1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587502869 FTVQRSUBVHPCFT-IBGZPJMESA-N 395.459 3.061 0 1 GGAF CN1CCN(CCCN2C(=O)/C(=C/c3ccccc3)Oc3ccccc32)CC1 169324474 AEWZSKACPXAOJD-PYCFMQQDSA-N 377.488 3.091 0 1 GGAF CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(NC(=N)N)cc3)on2)cc1 169332589 BMVFQMWXHOSRGF-UHFFFAOYSA-N 393.403 3.076 0 1 GGAF O=C(NCCCCC1CN(C(=O)c2ccccc2)C1)N1Cc2ccncc2C1 166972218 OVTLXNHTAWRRPC-UHFFFAOYSA-N 378.476 3.049 0 1 GGAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2cnn(CCO)c2)c1 205961783 ZUNQKDIPRNNANZ-UHFFFAOYSA-N 392.337 3.088 0 1 GGAF C[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2cncc(F)c2)C1=O 1857568982 HJJBGZORBJLFRB-KRWDZBQOSA-N 383.467 3.050 0 1 GGAF CCN(CCO)c1ccc(Nc2cc(C(=O)Nc3ccccc3)ncn2)cc1 1857606238 AZFOXJHJKNTHLG-UHFFFAOYSA-N 377.448 3.291 0 1 GGAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NC[C@@H](O)CC)cc1 4049050 LWSSCWNPGIHKTG-CUWPLCDZSA-N 382.460 3.064 0 1 GGAF CCNc1ncc2nc(-c3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2n1 4238312 NCODOJIJRGZQRP-UHFFFAOYSA-N 375.407 3.473 0 1 GGAF C[C@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1C[C@H]1CCCO1 20386846 PJVZTKJPTSFEAR-AUSIDOKSSA-N 384.520 3.462 0 1 GGAF CN1C(C(=O)Nc2ccccc2)=C(O)c2ccc3ccccc3c2S1(=O)=O 28092280 TUWAWCDXMBTLEJ-UHFFFAOYSA-N 380.425 3.339 0 1 GGAF O=S(=O)(c1ccccc1Cl)c1cn([C@H]2CCCNC2)c2ncccc12 28862295 TXYHQHSGNGSQQE-ZDUSSCGKSA-N 375.881 3.447 0 1 GGAF Cc1cc2c(c(C)c1CCO)C(=O)[C@H](Cc1cc3c(cc1CCO)C(=O)CC3)C2 33832841 SVZNWKSSPDZCCD-HXUWFJFHSA-N 392.495 3.100 0 1 GGAF biogenic CC(C)(NC(=O)/C=C/c1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 40407513 RUMPQDBLVJMPRQ-OUKQBFOZSA-N 375.472 3.435 0 1 GGAF CNc1nc(N2CCN(C3CCCCC3)CC2)nc2cc(OC)c(OC)cc12 82132102 GQNWBYOUFHQWQD-UHFFFAOYSA-N 385.512 3.143 0 1 GGAF COc1ccc(CNC(=O)CSc2n[nH]c3c4cc(C)ccc4nc-3n2)cc1 101773021 YRQBDZINMMQJQQ-UHFFFAOYSA-N 393.472 3.183 0 1 GGAF CCc1nn(-c2ccccc2)c2cc(N3CCN([C@H]4CCNC4)C3=O)ccc12 147349676 VCWNAKHCDADWIE-SFHVURJKSA-N 375.476 3.192 0 1 GGAF Cc1nc(C)c2c(n1)CCN(c1ncnn3c(C)nc(-c4ccccc4F)c13)C2 169711762 XDWRLXHSUJWVMY-UHFFFAOYSA-N 389.438 3.208 0 1 GGAF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@@H]1N(C)C2 169716302 LCWYVYCRRLOAFG-FWYOQMDTSA-N 399.272 3.278 0 1 GGAF CN1CC[C@]2(CCCCCC2=O)[C@@]12C(=O)Nc1ccc(Br)cc12 195366545 MJLCNQXTLJBIKL-ZWKOTPCHSA-N 377.282 3.452 0 1 GGAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C(=O)[C@@H]1COc2ccccc2O1 197899463 GNTRIIRGBVVVSU-UDTBUJMUSA-N 379.456 3.283 0 1 GGAF CO[C@@H]1OC[C@@]23[C@H](CCC[C@@H]12)[C@@]1(C[C@@H](c2ccoc2)OC1=O)[C@H](C)C[C@H]3O 199928973 KVKRTHRXHVCLRA-JVAYOBBHSA-N 376.449 3.060 0 1 GGAF CC1=C(c2ccc3nc(-c4csc([C@@H]5CCCO5)n4)[nH]c3c2)NNC(=O)C1 587016395 LADIXJIYBSDVKL-HNNXBMFYSA-N 381.461 3.293 0 1 GGAF CCOc1ccccc1[C@@](N)(c1nc2ccc([C@H](N)N=O)cc2[nH]1)C(F)(F)F 587093881 ZEOGGKJCKATSCP-NVXWUHKLSA-N 393.369 3.450 0 1 GGAF Cc1c(I)cnn1[C@H](C)c1nc2cc3cn[nH]c3cc2[nH]1 587183204 WVHMYQCKYVPUQB-MRVPVSSYSA-N 392.204 3.158 0 1 GGAF Cc1cc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2cc1Cl 587203130 OFSABDZVESKATH-INIZCTEOSA-N 387.823 3.447 0 1 GGAF COC(=O)c1cc(Cl)c2[nH]c(CNC(=O)[C@H](C)Oc3ccccc3)nc2c1 587225681 RFNSZKLUPTUTAK-NSHDSACASA-N 387.823 3.087 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(C)c(C)c1Cl 587867762 DYCPPFJKVVHKJK-UHFFFAOYSA-N 399.760 3.356 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCc2nnc(CC)n2C1 587872650 PQDNOEKSDUFCOU-CQSZACIVSA-N 383.427 3.145 0 1 GGAF O=C(O)[C@H]1C(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@@H]1C(=O)O 587971244 XGGOPEUTKRJYHD-GJZGRUSLSA-N 379.397 3.338 0 1 GGAF Nc1ncc(-c2cc(C3CN(C4COC4)C3)cc(C3CC3)n2)cc1OC(F)F 653757334 CWHKVZLAOQUEQF-UHFFFAOYSA-N 388.418 3.003 0 1 GGAF CCC(CC)[C@@]1(c2c[nH]c(C(=O)OC)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962899167 QLSXTSUGKYIYEF-UWJYYQICSA-N 388.439 3.219 0 1 GGAF COC(OC)[C@@H]1[C@H](C)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 2356392120 PRDPORMIEUKBDK-PQDLGVTNSA-N 382.460 3.151 0 1 GGAF C[C@]12CC[C@H](O)[C@](CO)(C(=O)O)[C@H]1CCc1cc3[nH]c4ccccc4c3cc12 2356508008 OLMKVWKEEMDZBW-JFJDKTSWSA-N 379.456 3.359 0 1 GGAF Cc1cc(O)cc(O)c1[C@@H]1c2ccc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O 2356540873 BOQHWAHDEDILLJ-FDFHNCONSA-N 380.396 3.444 0 1 GGAF CC1(C)CC(=O)C[C@@]1(C)c1ccc(C(=O)OCC[C@](C)(O)CC(=O)O)cc1 2356558354 WOXSROLDXSRULX-SFTDATJTSA-N 376.449 3.106 0 1 GGAF COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)NCc1ccc(OC)cc1 2356763408 HNOPJBWOHKYBIM-TZIWHRDSSA-N 389.540 3.118 0 1 GGAF CC[C@H](CCc1ccc(C[C@@H]2C=C(C)[C@H](O)C[C@H]2[C@](C)(O)CO)cc1)OC 2356776157 QXGXFBVEVRIXIS-VJFDXUIRSA-N 376.537 3.273 0 1 GGAF CCCCCC[C@H](O)C=CC(=O)O[C@@H]1[C@H](C)O[C@]2(C)C=C(C)C(=O)O[C@H]2[C@H]1C 2356790708 FWQVNLMGFQLRJO-YLVZUAARSA-N 394.508 3.471 0 1 GGAF CC[C@@]12CC[C@@]3(COC(C)=O)[C@@H](CCC4=C5[C@@H](CC4)[C@H](C(=O)OC)C[C@@]513)CN2 2356419973 KSROFXNZRLENBT-CEKOCYBQSA-N 387.520 3.378 0 1 GGAF COc1cccc(Cn2c(=O)c(-c3ccc(F)c(F)c3)nc3cncnc32)c1 4238323 GERVZTFTTCWWIY-UHFFFAOYSA-N 380.354 3.189 0 1 GGAF CCCCNC(=O)C1=C(c2c(C)[nH]c3ccccc23)C(=O)N(CCCC)C1=O 59086695 DQSSNELSMJCDRZ-UHFFFAOYSA-N 381.476 3.315 0 1 GGAF COC(=O)c1cccnc1NC(=O)Nc1cccc2c1[C@@H]1CCCCN1C2=O 118086883 HIXHOBYQJQZEPE-HNNXBMFYSA-N 380.404 3.193 0 1 GGAF Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCOCC5)C[C@@H]3N4)cc2)c1 100106150 FZEDVLGJBOTDHJ-NUNAXRQHSA-N 376.500 3.355 0 1 GGAF COc1cc(Cl)ccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1 28232089 BXDBIOHPDJQSGV-UHFFFAOYSA-N 381.948 3.413 0 1 GGAF CC[C@@H](COC(=O)CC1(CN)CCCCC1)OC(=O)C[C@H](CN)CC(C)C 26504931 UTTCXJPRBWXLMX-MSOLQXFVSA-N 384.561 3.162 0 1 GGAF Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)C[C@H](C)C3=O)cc2)cc1C 28525052 FGRZALALLQOFRH-HNNXBMFYSA-N 379.412 3.243 0 1 GGAF CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSc1ncccc1C(=O)O)C(=O)O 26024129 KXBBJEGOAWKPNB-HRYODUOUSA-N 392.477 3.173 0 1 GGAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCc2c1cccc2N1CCOCC1 28964843 ASHXOMOCDINDTE-SFHVURJKSA-N 377.448 3.209 0 1 GGAF Cn1ccnc1CN1C[C@H](F)[C@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 2356474020 YYOUCYJMORMNIC-SWLSCSKDSA-N 397.376 3.054 0 1 GGAF c1cnc(NCc2cnccn2)c(-c2nnc(Nc3ccc4c(c3)OCO4)o2)c1 28570843 GFQHPVXDUYZTNF-UHFFFAOYSA-N 389.375 3.006 0 1 GGAF Cc1cc2c(c(C)c1CCO)C(=O)[C@@H](Cc1cc3c(cc1CCO)C(=O)CC3)C2 33832842 SVZNWKSSPDZCCD-FQEVSTJZSA-N 392.495 3.100 0 1 GGAF biogenic,in-vitro COc1ccccc1SC[C@@H](O)CN[C@@H]1COc2ccccc2SC1 40895101 IMHOUWDBJOYBHV-CABCVRRESA-N 377.531 3.291 0 1 GGAF COc1ccc(CN/C=C2\C(=O)NC(=O)c3ccc(-c4ccoc4)cc32)cc1O 45496583 VXBMLLKHEDZLSY-WQRHYEAKSA-N 390.395 3.062 0 1 GGAF CN(c1ccc(C#N)cc1Br)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 141925784 LXATWTOGEHTMRJ-CYBMUJFWSA-N 397.280 3.307 0 1 GGAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)cc1 224728410 FDNHLTUXIKYEQP-UHFFFAOYSA-N 382.489 3.470 0 1 GGAF Cc1cnc(Cl)c(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)c1 220719154 IEPVAYLEYUWVFH-OAQYLSRUSA-N 399.878 3.438 0 1 GGAF O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2Cc3ccccc3C2)C1 140195694 BCAMKFFSJBRIGJ-UHFFFAOYSA-N 396.454 3.113 0 1 GGAF COC(=O)Cc1c(C(=O)OC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097155 IURKYYOGMJKCNR-UHFFFAOYSA-N 375.380 3.257 0 1 GGAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587235037 CPXFOHMYGATOOJ-VXGBXAGGSA-N 386.452 3.445 0 1 GGAF O=C(Cc1ccccc1)NCCc1nc2ccc(Br)c(F)c2[nH]1 587228947 UNZWDNZRVVKDSW-UHFFFAOYSA-N 376.229 3.366 0 1 GGAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 586949890 FLBHXHQCPVLANI-UHFFFAOYSA-N 385.367 3.424 0 1 GGAF Cc1cc(Br)cc2[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc12 586930320 BPHNAWMWRJCJKL-UHFFFAOYSA-N 380.267 3.089 0 1 GGAF COC(=O)c1ccc2[nH]c(-c3ccc([C@H]4C[C@H]4C(=O)OC)cc3)nc2c1OC 587785882 PIWJRGFVFKSJSZ-HUUCEWRRSA-N 380.400 3.302 0 1 GGAF Oc1nc2cc3nc(-c4nnn(Cc5cccc(F)c5)c4Cl)[nH]c3cc2[nH]1 587160955 JBHLKYHECIBJMC-UHFFFAOYSA-N 383.774 3.244 0 1 GGAF COc1cc(Br)c([C@H](N)c2nc3cncc(Cl)c3[nH]2)cc1OC 586977132 YFTHHSVIKTYCPZ-ZDUSSCGKSA-N 397.660 3.439 0 1 GGAF COCCOCc1nc(-c2ccccn2)nc(Cc2ccccc2)c1C(=O)OC 1772633331 TYPXZEIZILAOQS-UHFFFAOYSA-N 393.443 3.079 0 1 GGAF CC(C)(C)CC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)N1Cc2ccncc2C1 1772648435 UIWIJQHEDGPZIR-GOSISDBHSA-N 384.524 3.172 0 1 GGAF O=C(c1cccs1)N1CCN(Cc2cn[nH]c2-c2ccc(F)cc2F)CC1 15936290 BQAGQVHOOPVKRE-UHFFFAOYSA-N 388.443 3.374 0 3 GGAF OCCNc1nc(NCc2ccccc2)c2cnn(/C=C/c3ccccc3)c2n1 169235317 DLPAKDXKUDZDMG-ACCUITESSA-N 386.459 3.471 0 1 GGAF NC[C@@H]1CCCCN1c1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1 205243612 VUCWPIZXOBOQHY-INIZCTEOSA-N 385.475 3.400 0 1 GGAF CCN(Cc1ccccc1)C(=O)Cn1nc(C)n2c(cc3sc(C)cc32)c1=O 1857634079 ZOXZQLKIAHLEDL-UHFFFAOYSA-N 394.500 3.376 0 1 GGAF O=C([C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F)N1CCOCC1 767230 HEKKCANACBVHGV-PKOBYXMFSA-N 388.826 3.430 0 1 GGAF CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N(C)C 770054 PDUVFKWYGYVGRG-PZJWPPBQSA-N 381.476 3.331 0 1 GGAF O=C(NCCOCCO)c1c(-c2ccccc2Cl)noc1-c1ccccc1 2481974 LCZIOYCNDFGHMW-UHFFFAOYSA-N 386.835 3.401 0 1 GGAF Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)N[C@H]1CCC[C@@H](C)[C@@H]1C 8687987 HBPCLWDVOVVJRO-INWMFGNUSA-N 383.583 3.356 0 1 GGAF Cc1ccc(CN2CCN(CC(=O)[C@@](O)(c3ccccc3)C3CCC3)CC2)cc1 22940390 HDXOCGZHRNMOHL-RUZDIDTESA-N 392.543 3.370 0 1 GGAF O=C([C@H]1C[C@@H]1c1cccc(N2CCCCC2=O)c1)N1CCN(C2CCC2)CC1 113833866 GOTOYADHTXKQLS-RTWAWAEBSA-N 381.520 3.004 0 1 GGAF CCOC(=O)C1=CC[C@H](c2ccco2)N(S(=O)(=O)c2ccc(C)cc2)C1 34131701 FMEZLWPBHJTFJU-QGZVFWFLSA-N 375.446 3.213 0 3 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 72139564 HBAUUXCELAVUFZ-LJQANCHMSA-N 389.448 3.369 0 3 GGAF Cc1nn(C)c2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc12 1911580841 KPWOPEXZFZOLTJ-UHFFFAOYSA-N 390.274 3.202 0 1 GGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCCc1ccccc1F 82207726 DSIGGCGCRVQJST-ISNWKDCQSA-N 390.499 3.237 0 1 GGAF O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 49111187 QGVWMOAEDUUCES-QFIPXVFZSA-N 375.472 3.129 0 1 GGAF COc1ccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1 96907195 REARCLAUKBZRAV-UHFFFAOYSA-N 381.306 3.202 0 1 GGAF CN1CCN(c2ccc3nc(-c4ccc5c(c4)NC(=O)CS5)[nH]c3c2)CC1 587042894 IKRWTNNWXUNPOE-UHFFFAOYSA-N 379.489 3.026 0 1 GGAF COc1cc(Br)c([C@@H](N)c2nc3c(C)nccc3[nH]2)cc1OC 586973947 AHYZKHFCBAKXPO-CQSZACIVSA-N 377.242 3.094 0 1 GGAF CN(C)CCOc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587039758 FOGVDDVLLCUOJN-UXHICEINSA-N 382.533 3.450 0 1 GGAF COc1cc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cn1 587113152 OPRAKKHZDAFVJM-QGZVFWFLSA-N 378.354 3.385 0 1 GGAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCOCC1 587400850 RJKFZCGDUWSSBJ-HSZRJFAPSA-N 396.487 3.299 0 1 GGAF COC(=O)c1cc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2cc1OC 587040596 IFROGEKBPLFAEN-WMZOPIPTSA-N 383.473 3.304 0 1 GGAF CCOC(=O)C[C@]1(c2n[nH]c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587396015 ILYJKTACXXQTAA-NRFANRHFSA-N 379.416 3.267 0 1 GGAF C[C@]1(c2nc(Cl)cnc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553207 UJOXULVZPRHTCI-LIRRHRJNSA-N 383.791 3.295 0 1 GGAF CCOC(=O)c1ccc2c(c1)[C@]1(N[C@@H](CC)Cc3c1[nH]c1ccccc31)C(=O)N2 962943835 CVPOWYFFBODBBQ-LFVRLGFBSA-N 389.455 3.465 0 1 GGAF Cc1cnn(CCF)c1[C@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962717961 RETXUFKEIZZIBB-KGLIPLIRSA-N 389.324 3.007 0 1 GGAF NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1C[C@@H]1CC[C@H]2N1 1772585832 AJGIZIGHRMYPRB-CMPLNLGQSA-N 376.869 3.494 0 1 GGAF CCc1c(C)[nH]c2c1C(=O)C[C@H](CN1CCN(c3ccccc3OC)CC1)C2 13471636 WBOSTHWNFSNILI-QGZVFWFLSA-N 381.520 3.461 0 1 GGAF COc1ccccc1N1CCN(CCCCNC(=O)CCc2ccccc2)CC1 13526254 KSWVNKXYQFPTSL-UHFFFAOYSA-N 395.547 3.346 0 1 GGAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1C 13559130 WVLILWRHPIPBFE-AWEZNQCLSA-N 380.489 3.191 0 1 GGAF COc1ccc(-c2c3c(nn2C)CCc2cnc(Nc4cnn(C)c4)nc2-3)cc1 169702288 HLIKVPOOHXPPIF-UHFFFAOYSA-N 387.447 3.128 0 1 GGAF OC[C@@H](Nc1nc(Nc2cc(C3CC3)n[nH]2)c2c[nH]nc2n1)C1CCCCC1 169702557 HZMBPWOGDBXQKD-OAHLLOKOSA-N 382.472 3.050 0 1 GGAF Cc1c(-c2cnc3ccc(OCCCS(C)(=O)=O)nn23)oc2ccccc12 205063290 NCHLFUDIWZQSHN-UHFFFAOYSA-N 385.445 3.264 0 1 GGAF C[C@H]1CCCN(C2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)C1 1857534306 CTOPGGQMBXKITK-AWEZNQCLSA-N 388.480 3.173 0 1 GGAF CNC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758624 DJTDWMHSGQOPDV-SFHVURJKSA-N 399.466 3.411 0 1 GGAF CC(C)(C)C(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(sc21)CCC3 2467537 UEWWVTYDZAKOGL-UHFFFAOYSA-N 396.512 3.377 0 1 GGAF CC(=O)OC[C@@]12CC[C@@H]3[C@H](C)CN4C[C@H]1CCC1=C5[C@H](CC1)[C@@H](C(=O)O)C[C@]52[C@@H]34 2356389127 IHVFWTKRIURIBX-WHEMFEBASA-N 399.531 3.487 0 1 GGAF CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)N1CCOCC1 4051323 HLSQGGKXWHZGOO-TZIWHRDSSA-N 380.444 3.036 0 1 GGAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CCOCC2)cc1 4051352 MOFQPBJLCHSQHM-CTNGQTDRSA-N 380.444 3.036 0 1 GGAF CN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(CCc3ccccc3)c2n1 4238636 GINHARQEZJAYHT-UHFFFAOYSA-N 389.434 3.301 0 1 GGAF CC[C@H](C)NC(=O)CCC(=O)N1Cc2cccc(OC)c2Oc2ncccc21 6902133 QWUNMNJZXYMFKS-AWEZNQCLSA-N 383.448 3.424 0 1 GGAF Cc1cccc(NC(=O)C2=CC3=N[C@H](C4CC4)C[C@@H](C(F)(F)F)N3N2)c1C 104008490 NKLOGPYPQNYXFM-HOCLYGCPSA-N 378.398 3.458 0 3 GGAF C[C@@H]([C@@H](c1ccc2cc(OCC(C)(C)C(N)=O)ccc2c1)n1ccnc1)N(C)C 28332479 OZXGHWIQASWJQX-KKSFZXQISA-N 394.519 3.466 0 1 GGAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)NCc1nccs1 26568729 SPRFBLWIQABNHC-AWEZNQCLSA-N 397.541 3.294 0 1 GGAF CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@H](O)c2ccco2)CC1 27896167 MJBJZMMOGSPQBM-IBGZPJMESA-N 386.492 3.237 0 1 GGAF Cn1c2c(c3ccc(-n4ccc(CCc5ccccc5)nc4=O)cc31)CCNCC2 115012088 SADXIMITBAJPQU-UHFFFAOYSA-N 398.510 3.198 0 1 GGAF COc1ccc(CCNc2cc(-c3ccc4[nH]c(=O)oc4c3)nc(OC)n2)cc1 66102737 HCGPNAZEXVWUKL-UHFFFAOYSA-N 392.415 3.250 0 1 GGAF Nc1onc(CCCO)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28568116 AHTWSIDYXQNGKR-UHFFFAOYSA-N 384.276 3.161 0 1 GGAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@@H]1CCCC[C@H]1OC 29339249 KUVDELQPGAIHCS-QZTJIDSGSA-N 397.947 3.330 0 1 GGAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc(F)cc2)C1 82140784 RUWFIAJFTXALIF-HZPDHXFCSA-N 398.482 3.237 0 1 GGAF Cn1c(CN(CCCCN)[C@@H]2CCCc3cccnc32)nnc1-c1ccccc1 145781944 IQXADRSWBMCYJU-HXUWFJFHSA-N 390.535 3.496 0 1 GGAF COc1ccccc1Cc1nc2c(-c3ccc(S(C)(=O)=O)cc3)cccn2n1 96169551 DXFIYBAWZRBESK-UHFFFAOYSA-N 393.468 3.399 0 1 GGAF Cc1csc(NC(=O)c2ccc(COc3ccc(S(C)(=O)=O)cc3)o2)n1 95755489 JQJBKKSPJVCORN-UHFFFAOYSA-N 392.458 3.279 0 1 GGAF Cc1c[nH]c2ncnc(N3CCN(C(=O)N[C@@H](C)c4ccccc4)[C@@H](C)C3)c12 299837064 OGBRRCBVEXWMQF-HOTGVXAUSA-N 378.480 3.248 0 1 GGAF O=C(Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCC(O)CC1 653861112 YMGTYMPILPJGSF-UHFFFAOYSA-N 380.366 3.419 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cnc3nccnc13)O2 587371726 MNQNZIXAYHIALO-ZDUSSCGKSA-N 385.221 3.384 0 1 GGAF Sc1nc(S)c2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2n1 587004447 SXBQVPWDQXJSSZ-UHFFFAOYSA-N 379.268 3.236 0 1 GGAF CS(=O)(=O)c1ccc2[nH]c(-c3cc(Cl)ccc3O)c(CC(=O)O)c2c1 587650050 VAGSJPYOQUCQSL-UHFFFAOYSA-N 379.821 3.225 0 1 GGAF N=c1nc(O)c2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2[nH]1 587040813 RINOYWWUOWTIOB-UHFFFAOYSA-N 376.445 3.316 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(F)cc(Br)cc21 587385833 GJEXHSCTCPUZQR-QGZVFWFLSA-N 391.196 3.292 0 1 GGAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc3nonc3c2)N1 962707639 XXBLTFJEHJZUDS-HUUCEWRRSA-N 381.285 3.069 0 1 GGAF C[C@@H]1C[C@]2(CC[C@@H]1C(=O)O)N[C@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962716575 WVRZVVSSGSNGMN-GIXHOTCISA-N 389.345 3.160 0 1 GGAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)[C@@H]1CCCCN1 1772649379 MWXGCTUHBZPBCK-MJSCBBHESA-N 382.439 3.344 0 1 GGAF COc1cc(C)cc(OC)c1-c1cncc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772580196 KUUYGXCCHWNUHC-HNNXBMFYSA-N 383.404 3.372 0 1 GGAF O=C(N[C@H]1C=CC[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12)OCc1ccccc1 5808324 FJNBWKYPMHKHAW-FHWLQOOXSA-N 376.412 3.047 0 1 GGAF CC(=O)c1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)[nH]n1 11819615 ZKPAVPWCSDBJHF-KRWDZBQOSA-N 377.448 3.222 0 3 GGAF Fc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(N4CCNCC4)n3)c2c1 150075721 QFEQLOZOUCTCFE-UHFFFAOYSA-N 392.413 3.375 0 1 GGAF CCN1C(NCCCOC(C)C)=N[C@H](c2ccccc2)[C@H](C(=O)OC)[C@@H]1C 169352533 YDRNLDNTYMCTTD-QXAKKESOSA-N 375.513 3.002 0 1 GGAF COc1nc(Nc2ccc(C(=O)N(C)C)cc2)ncc1-c1ccc(C(=O)O)s1 1857757675 JOACCILDJWBJMR-UHFFFAOYSA-N 398.444 3.357 0 1 GGAF Cn1cc(CN2C[C@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)c2ccccc21 2356387226 MEGWTEICJJHJBD-LPHOPBHVSA-N 379.439 3.189 0 1 GGAF CC[C@@H]1[C@H](OC(C)=O)[C@H](C)[C@@H](OC(=O)c2cccnc2)C(C)(C)[C@@H]1OC(C)=O 2356401821 PJANGBLGXVISJT-WYYGDBMLSA-N 391.464 3.173 0 1 GGAF CN1C[C@@H](C(=O)OCCO)C[C@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]21 29482936 UGSVTHLCYAINLK-LRQRDZAKSA-N 382.504 3.252 0 1 GGAF Cc1oc(-c2ccccc2)nc1COc1ccc(C[C@@H]2OC(=O)NC2=O)cc1 29321477 NIQPGPNDCMMIGG-SFHVURJKSA-N 378.384 3.407 0 1 GGAF CN(C)C(=O)CN1CCC[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1 73222336 XRZMHKTZJWSXPQ-GOSISDBHSA-N 394.494 3.491 0 1 GGAF CCc1cc([C@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)ccc1OC 34948162 ZQVKNEMQAHETSD-SLXZDPPNSA-N 381.520 3.456 0 1 GGAF CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C#N)c1OC 219847124 LJWNGIYAQBNOLI-UHFFFAOYSA-N 392.394 3.343 0 1 GGAF COc1ccc(-c2csc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1N 45285121 SQTRKRMDJOYKIW-UHFFFAOYSA-N 388.445 3.183 0 1 GGAF CC1(C)O[C@@]2([C@H]3CCC[C@@H](Cc4ccc(N)nc4)C3)CC[C@@H]1[C@](N)(CCO)C2 85543226 APTJHZQAAILDDY-UGKDEMOMSA-N 387.568 3.440 0 1 GGAF biogenic,in-vitro Cc1nc2ccc(CN3CC[C@H](O)C3)cc2n2c(-c3ccccc3Cl)nnc12 95594433 JLLMMQQXVRIGOZ-HNNXBMFYSA-N 393.878 3.473 0 1 GGAF COc1cc(S(=O)(=O)c2cn(C)c3ccccc23)cc2c3c(oc12)CCNC3 147537661 ZKLJSNCVKNFLDG-UHFFFAOYSA-N 396.468 3.412 0 1 GGAF O=C(NCCO)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 653702270 KKDLZQYRUMBYKW-UHFFFAOYSA-N 385.427 3.158 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1c(C(=O)O)[nH]c4ccc(OC)cc14)[C@@H](C2)C3=O 587437582 HHVDITKFMAQGPB-RNODOKPDSA-N 379.368 3.372 0 1 GGAF CC(=O)Oc1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587276319 MAXSQTJETMFNMZ-UHFFFAOYSA-N 390.189 3.239 0 1 GGAF Cc1c(I)cnn1Cc1cc2c3c(cccc3n1)CC2 587212069 BGRYMAFJNDERFB-UHFFFAOYSA-N 375.213 3.491 0 1 GGAF CCn1ncc(Br)c1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587411557 DONDFSUXMFCUBP-PIGZYNQJSA-N 377.238 3.337 0 1 GGAF COC(=O)[C@]1(c2c[nH]c3ccc(OC)cc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438616 PDZXIOKNUXHOHM-QRQCRPRQSA-N 393.395 3.001 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cncn2)(C2(Cl)CC2)N1 587692041 JIQLQHCPMANOSC-QLJPJBMISA-N 399.695 3.381 0 1 GGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@]2(C[C@@H](C3CC3)N(Cc3ccccc3)C2)N1 962916334 CZDJXJQSWIFMQB-JTAQYXEDSA-N 380.463 3.304 0 1 GGAF Cc1c2c(nn1C)[C@@H](c1ccccc1C(F)(F)C(F)(F)F)N[C@H](C(=O)O)C2 962720035 YIRVFQMDJRCXEX-QWHCGFSZSA-N 389.324 3.071 0 1 GGAF CN(Cc1cc(C[C@H]2CNCC[C@H]2CC(=O)NC(C)(C)C)no1)c1ccccc1 12482608 GXQPBRUIZGSXCH-ROUUACIJSA-N 398.551 3.384 0 1 GGAF biogenic CN1C[C@H](c2c[nH]cn2)[C@H]([C@H](OC(=O)c2ccccc2)c2ccccc2)C1=O 13430796 MSVMMGAYQMSSSG-MISYRCLQSA-N 375.428 3.180 0 1 GGAF biogenic CCOCc1n(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)cc[n+]1C 13651157 UIFFEJMYSUMSAG-OAQYLSRUSA-N 391.491 3.151 0 1 GGAF Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCC1 13675145 CMSKDYKEKYIJSD-UHFFFAOYSA-N 375.436 3.156 0 1 GGAF COc1ccc([C@H]2SC(N)=Nc3c2c(C)nn3C(=O)c2ccncc2)cc1 17222151 CAEXPSIRBPHCSI-MRXNPFEDSA-N 379.445 3.066 0 1 GGAF Cc1cc2ncc(-c3cc4ccccc4o3)n2nc1OCCCS(C)(=O)=O 205063398 NSJQVARBDFJVFQ-UHFFFAOYSA-N 385.445 3.264 0 1 GGAF Cc1cc(C)cc(NC(=O)C[C@H]2CC(=O)N[C@H](SCc3ccccc3)N2)c1 209083577 VGDALGVCXNQBSG-GHTZIAJQSA-N 383.517 3.327 0 1 GGAF COc1ccccc1Cc1cc(C)nn(CC(=O)Nc2cccc(Cl)c2)c1=O 1857558887 ZYUUMCWOYJQXQQ-UHFFFAOYSA-N 397.862 3.443 0 1 GGAF Cc1ccc(CN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)C2CC2)cc1 1857560394 CUBKEICSDQLUCO-JOCHJYFZSA-N 398.457 3.417 0 1 GGAF Cc1nc2c(N3CCNCC3)ccnc2n1Cc1cccc(C(F)(F)F)c1 1857746931 WQNQSIUZLQLYKQ-UHFFFAOYSA-N 375.398 3.216 0 1 GGAF COc1ccc(C2=NO[C@H](Cc3ccc(OC(C)=O)c(OC)c3)C2)c(OC)c1 103213588 ASOPOANYHIKWBK-MRXNPFEDSA-N 385.416 3.373 0 1 GGAF O=C(c1ccccc1)N1CCC2(CC1)CC(C(=O)N1CCN(C3CCC3)CC1)C2 103243070 RHFWASVHVJCHLH-UHFFFAOYSA-N 395.547 3.016 0 1 GGAF CCCCCNC(=O)n1nc(-c2ccc(N)cc2)c2cc3c(cc2c1=O)OCO3 26734621 BGHJSARXSVILON-UHFFFAOYSA-N 394.431 3.122 0 1 GGAF Cc1ccc2nc3c(=O)n(CC(=O)NCCc4ccc(Cl)cc4)[nH]cc-3c2c1 103815672 XWMXFRDZCBXYQX-UHFFFAOYSA-N 394.862 3.150 0 3 GGAF OCC[C@@H]1CN(Cc2cccn2-c2nccs2)CCN1CCc1ccccc1 22910527 NZHVLQJHYCTKDQ-HXUWFJFHSA-N 396.560 3.045 0 3 GGAF O=C(O)c1ccc2c(c1)C[C@@H](CCNS(=O)(=O)c1ccc(Cl)cc1)C2 27406287 FMJOLGVWTLFNLG-LBPRGKRZSA-N 379.865 3.122 0 1 GGAF COc1cc(C(N)=O)c2ncnc(N[C@@H](CN(C)C)c3ccc(Cl)cc3)c2c1 114345802 CJAKBHSFDAWLEM-KRWDZBQOSA-N 399.882 3.106 0 1 GGAF CO[C@@H]1CC(=O)[C@]2(CC(=O)O[C@@H]2C=C(C)CCC=C(C)C)C[C@@H]1OC(C)=O 2356731765 YGWPHAWAXUILGD-SHJAMOMRSA-N 378.465 3.291 0 1 GGAF COc1cc([C@H]2c3cc4c(cc3C=C3COC(=O)[C@H]32)OCO4)cc(OC)c1OC 13371279 HMOQGLNIZXPXJE-VQTJNVASSA-N 396.395 3.143 0 1 GGAF biogenic C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(C)C(=O)CO 40441911 FXBVINCSIJOIGL-CJGSUZBLSA-N 390.495 3.171 0 1 GGAF CC(C)CNC(=O)c1cnc(NCC[C@H]2CCCN2C)nc1NC1CCCC1 45325041 OETPVFUSMRMLPC-QGZVFWFLSA-N 388.560 3.113 0 1 GGAF Cc1ccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(-c3ccco3)nn4C)C2)cc1 82196127 RLOPTVROINCUQW-UHFFFAOYSA-N 388.427 3.029 0 1 GGAF C/C=C(/C)C(=O)O[C@H]1CC=C(C)[C@H]2[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@H](OC(C)=O)[C@@]12C 238750379 AIRAUUXPYGGOPL-ODCGHNENSA-N 390.476 3.350 0 1 GGAF CCC(=O)N1[C@H](CN(CC)C(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)[C@@H]1CO 95895422 BFKGWLLXKNNDRP-RZUBCFFCSA-N 398.478 3.053 0 1 GGAF Cc1cccc(N2CCN(CN3C(=O)C[C@H](c4cccc(Cl)c4)C3=O)CC2)c1 96938055 QBKRVPWWSATGAO-HXUWFJFHSA-N 397.906 3.271 0 1 GGAF O=C(c1ccc(C2CC2)c(OCC2CC2)n1)N1CC[C@@](CO)(C(F)(F)F)C1 146235475 MSHMYQIZWKZZIW-GOSISDBHSA-N 384.398 3.135 0 1 GGAF C[C@@]1(C(=O)O)[C@@H](O)CC[C@]2(C)[C@H]3CC(=O)[C@@H]4C[C@]3(CC[C@@H]12)c1ccccc1N4 238740586 UESFHRIHCVPQCD-VXRFRBMGSA-N 383.488 3.360 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5cccnc54)ccc31)[C@@H]1CC[C@H](C2)N1 96175240 NSQKZIIMCZAEHA-PBHICJAKSA-N 392.484 3.114 0 1 GGAF CS(=O)(=O)NC(=O)c1cc(F)c(OCC23CC4CC(CC(C4)C2)C3)cc1F 261071564 AEFVIYQUYHNRDX-UHFFFAOYSA-N 399.459 3.249 0 1 GGAF COc1ccc(-c2cncc(C(=O)N[C@@H](CO)Cc3ccccc3)c2)cc1OC 621429862 BKNSSVOGTYWFGN-HXUWFJFHSA-N 392.455 3.099 0 1 GGAF COc1cc(O)c(Cl)c2c1C(=O)O[C@@H](C)CC[C@H]1CC[C@@H](CC(=O)C2)O1 299818869 AXZMULHUFVPQHT-DRZSPHRISA-N 382.840 3.443 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc(C(F)(F)F)cc41)[C@@H](C2)C3=O 587423183 SAHWMKGUKWMHDR-SGTLLEGYSA-N 375.302 3.309 0 1 GGAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 587767847 BITLSCOMXZCWOI-XXFAHNHDSA-N 379.229 3.393 0 1 GGAF O=C(Cn1cc(Cl)cn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656977 OJOZGXXUJYGAHZ-UHFFFAOYSA-N 382.782 3.393 0 1 GGAF COC(=O)[C@@]1(/C=C(\C)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346972 CXUJVMGAXJLCCN-RPQHEVHQSA-N 386.375 3.352 0 1 GGAF CCOC(=O)[C@H](N=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340749 VRVPHPNWQVTXES-QRFRQXIXSA-N 387.363 3.347 0 1 GGAF O=C(O)[C@@H]1CCCN(c2ccnc3ccc(I)cc23)C1 957663667 JBOWJTANTKKYBN-SNVBAGLBSA-N 382.201 3.140 0 1 GGAF COC1([C@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)CCOCC1 963167123 DNJMMKDDLYKXCY-KGLIPLIRSA-N 393.789 3.194 0 1 GGAF Cc1ccc(-c2ccc(CCC[C@H](P(=O)(O)O)S(=O)(=O)O)cc2)cc1 13746362 VZDJYSNFOJHTJU-QGZVFWFLSA-N 384.390 3.376 0 1 GGAF O=C(O)[C@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1ccc(Cl)cc1 13807322 OMOZKOPPDRRUQY-ZBFHGGJFSA-N 390.871 3.138 0 1 GGAF C[C@H]1CC=C(c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)CC1 205631078 PQQJZVOILCUNMH-ZDUSSCGKSA-N 377.444 3.186 0 1 GGAF COc1ccc(OC)c(CCn2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1 1857614615 SFBQPOFFSZXYHF-UHFFFAOYSA-N 376.416 3.047 0 1 GGAF O=C(O)CS(=O)(=O)c1ccc(-c2cccc(C(=O)Nc3ccccc3)c2)cc1 3600331 RUEQIEWECZLBEN-UHFFFAOYSA-N 395.436 3.464 0 1 GGAF O[C@@H]1CC[C@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@H]1CNCc1ccncc1 2356287334 HAWVBIQCTBCQBD-SJBKTWHCSA-N 397.450 3.117 0 1 GGAF CC1=C(C(=O)OC(C)C)C(c2[nH]cnc2Cl)C(C(=O)OC(C)C)=C(C)N1 103222104 LYTSRJJCEBWKNB-UHFFFAOYSA-N 381.860 3.201 0 1 GGAF O=C(NC1CCCCC1)[C@@H]1CN2CC[C@H]1C[C@H]2Cn1cc(-c2ccccc2)nn1 2356744997 VLTQESMNWOGQSI-SESVDKBCSA-N 393.535 3.104 0 1 GGAF Cc1c(NCCN2CCOCC2)ncnc1Nc1ccc(OC(F)(F)F)cc1 64540245 FXTQTTLOLCCIDC-UHFFFAOYSA-N 397.401 3.171 0 1 GGAF COc1c(C)c(-c2c(C)c(OC)c3c(c2OC)OCO3)c(OC)c2c1OCO2 1648537 HNKLCRIFLSAYAM-UHFFFAOYSA-N 390.388 3.462 0 1 GGAF biogenic CN1CCN(C2=Nc3cc(Cl)ccc3N=C3NN(C4CCCC4)C=C32)CC1 39336830 FGIWRGQKBCZMMU-UHFFFAOYSA-N 384.915 3.308 0 1 GGAF CCCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 71318826 SEUNUSUVMZLRON-UHFFFAOYSA-N 396.472 3.162 0 1 GGAF COc1cccc(N2CCN(CCNC(=O)c3ccc4ccccc4c3)CC2)c1 72136018 SXYVVPDNNWVXGW-UHFFFAOYSA-N 389.499 3.400 0 1 GGAF O=C(O)c1cn(C2CC2)c2c(cc(F)c3c2nnn3-c2ccc(F)cc2)c1=O 1911574873 FXJPAOCMGHHSCM-UHFFFAOYSA-N 382.326 3.047 0 1 GGAF COc1cccc(Cc2noc(-c3cc(OC)ccc3OC3CCNCC3)n2)c1 225196953 IRSZCJPWSXSRDC-UHFFFAOYSA-N 395.459 3.475 0 1 GGAF Cc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(N)s3)s2)cc1 95573471 NHEGNIPJJVXZRN-UHFFFAOYSA-N 388.522 3.027 0 1 GGAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2CCOC2)cn1 143361518 OQSPJPBNWLMUII-KRWDZBQOSA-N 379.416 3.143 0 1 GGAF CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[C@H](N3CCC[C@@H]3C)C2)cc1C 96286312 QXHDJHWLJKVICN-RBDMOPTHSA-N 398.551 3.007 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)[C@@H](C2)C3=O 587441605 GDOREZOUMJFOPL-XOBRGWDASA-N 384.384 3.126 0 1 GGAF N[C@@H](Cc1nc2cccc(C(=O)O)c2[nH]1)c1ccc(Br)cc1F 587144314 LPVHRVXSYLTUAA-LBPRGKRZSA-N 378.201 3.405 0 1 GGAF CCNC(=O)N1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587768147 KTHOGORTELSGHN-NSHDSACASA-N 384.293 3.143 0 1 GGAF CCOC(=O)Cc1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 587042589 NDSPPQKPCXTEIU-OAHLLOKOSA-N 375.494 3.289 0 1 GGAF N=c1[nH]ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 587092615 XHIRDAVMSJMTKO-UHFFFAOYSA-N 377.248 3.392 0 1 GGAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(CO)cc2[nH]1 586939545 VZSLHJHSTGEBOW-KRWDZBQOSA-N 393.896 3.384 0 1 GGAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cncc(C)c2[nH]1 586934494 ADYFZKLREBGUDT-CQSZACIVSA-N 376.507 3.039 0 1 GGAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cccc(I)c2[nH]1 587095215 ZBDCOLRWWMBOSJ-LURJTMIESA-N 397.138 3.297 0 1 GGAF N[C@H](Cc1ccc(I)cc1)c1nc2c(Cl)ccnc2[nH]1 587185141 XYFAJRAPFQZJQO-LLVKDONJSA-N 398.635 3.458 0 1 GGAF Cc1c(F)ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12 586947472 ZTLMOTYVHLVWGJ-AWEZNQCLSA-N 389.452 3.135 0 1 GGAF CN=c1nc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]s1 587371436 DSJMQTPIHCFTKY-FXAWDEMLSA-N 399.447 3.207 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H]1[C@H]3C[C@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@H]3[C@H]12 587819893 WWYSVDIYKZGUEL-YZSQZFHFSA-N 388.280 3.275 0 1 GGAF Cn1c([N+](=O)[O-])cnc1-c1nnc(SCc2ccc([N+](=O)[O-])cc2)s1 34074163 HZGWNMWHGKBHAU-UHFFFAOYSA-N 378.395 3.047 0 1 GGAF O=C1[C@@H](N2CC[C@@H](c3ccc(O)cc3)[C@@H](F)C2)CCN1Cc1ccc(F)cc1 1772637451 XFXAVVJYLLLZPG-ACRUOGEOSA-N 386.442 3.460 0 1 GGAF COCCOc1ccc(CCNc2nc3cc(Cl)ccc3c(=O)n2C)cc1 1772608689 VVNUVQHCDIHEST-UHFFFAOYSA-N 387.867 3.267 0 1 GGAF CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)CCCN3CCCC3=O)C2)cc1 12002544 UWAWDPKKWBVPCQ-QFIPXVFZSA-N 399.579 3.368 0 3 GGAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)COCCCc1ccccc1 13448002 XCNLHYDEJHTWRT-GCJKJVERSA-N 384.520 3.033 0 1 GGAF COCCCC1CCN(C(=O)[C@H]2CCC(=O)N(Cc3ccccc3F)C2)CC1 15075069 QJQNDMQFBVVMCG-IBGZPJMESA-N 390.499 3.230 0 3 GGAF CS(=O)(=O)N1[C@H](c2ccccc2)CC=C(C(=O)O)[C@@H]1c1cccc(F)c1 1857563572 VOZXXRXXIAGXEG-ROUUACIJSA-N 375.421 3.284 0 1 GGAF CCC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@]3(OC)C[C@@H]2[C@H]1O 2356421065 XRRGBBOAMABCAA-QJMRAKMGSA-N 392.492 3.288 0 1 GGAF Cc1c(Sc2ccc(C3CCCCC3)cc2)n(COCCO)c(=O)[nH]c1=O 27421407 VOJUVMLIWDTFGL-UHFFFAOYSA-N 390.505 3.010 0 1 GGAF NC1=N[C@@H](c2ccccc2)NC(NCCCCCOc2ccc(Cl)cc2)=N1 71295507 GFYBORRCSDFLKC-GOSISDBHSA-N 385.899 3.451 0 1 GGAF Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)OCCCCN(C)C)co2)cc1 82073401 LFCLCEITQJOVNI-IBGZPJMESA-N 399.491 3.140 0 1 GGAF Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1F 143207190 FHDFCUHMFXRKKA-FQEVSTJZSA-N 380.423 3.139 0 1 GGAF C[C@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)C 95678721 ICBPOKCISFMJKJ-IXFSTUDKSA-N 396.531 3.273 0 1 GGAF COC[C@@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@H]3O 95587483 GDGOVQAHSVMHTH-PQFYNHILSA-N 392.536 3.375 0 1 GGAF COc1nc(OC)nc(-c2cc(C(=O)c3ccc(F)cc3)n3ccccc23)n1 473115597 UKXZYJSZHKPYHO-UHFFFAOYSA-N 378.363 3.179 0 1 GGAF CC(=O)OC[C@@](O)([C@@H](O)CO)[C@@H]1C[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@@]32C)C1 473090421 OVDONPAXHCFZKS-YYXSXRTQSA-N 396.568 3.293 0 1 GGAF COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1OC 473150275 LREPVNCKBAPXFF-UHFFFAOYSA-N 383.488 3.453 0 1 GGAF O=C(O)C[C@H]1OC[C@@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 653741155 GWEOOHCWMXDNLK-JTDSTZFVSA-N 398.411 3.035 0 1 GGAF CC(=O)Oc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587275772 FRPLBVANBHCBMM-UHFFFAOYSA-N 390.189 3.239 0 1 GGAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587933474 YLBOMCNZCNLDBR-VBKZILBWSA-N 385.489 3.267 0 1 GGAF CCOC(=O)c1nn(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580073 GYAXXKCKLFRPKH-UZLBHIALSA-N 394.383 3.005 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 586901467 HTJJTAJCJRNOQZ-QFBILLFUSA-N 385.489 3.210 0 1 GGAF CS(=O)(=O)/C=C/c1nc2cc(Br)c(Br)cc2[nH]1 586923545 PJYXPIFUMCPGFJ-NSCUHMNNSA-N 380.061 3.103 0 1 GGAF COc1cc2c(cc1OC)[C@](CC(=O)C(=O)O)(c1ccc(C)cc1)N(C)[C@@H](C)C2 962570135 NKNYJLSFMHRTOT-WNSKOXEYSA-N 397.471 3.176 0 1 GGAF COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(Cl)c1O 963239147 ZYQIYLPEAIDGDI-QAPCUYQASA-N 384.819 3.291 0 1 GGAF O=C(O)Cc1nn(Cc2csc(-c3ccccc3)n2)c(=O)c2ccccc12 13449070 NENGQDSFYVYQBT-UHFFFAOYSA-N 377.425 3.195 0 1 GGAF O=C(NC1CCN(Cc2cccnc2)CC1)[C@](O)(c1ccccc1)C1CCCC1 13835821 SQSAXGWIZUBYJD-DEOSSOPVSA-N 393.531 3.240 0 1 GGAF OCCNc1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 169706739 CMJZCKLIKVXHRH-UHFFFAOYSA-N 390.451 3.032 0 1 GGAF CCOc1ccc(C[C@H]2C[N+]3=C(NC[C@H]3C)N2CC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 169721134 ZMGRVWMXWPRHFE-FYKMYLNBSA-O 382.572 3.499 0 1 GGAF COc1ccc(N2N=C(C)[C@H](C(=O)Nc3cccc(-c4ccco4)c3)C2=O)cn1 1857574733 RAARGXQVFWAGNR-LJQANCHMSA-N 390.399 3.328 0 1 GGAF CC(C)c1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@H](O)CO)cc1 773823 IGIGDPVARYNOLX-SFHVURJKSA-N 398.434 3.354 0 1 GGAF COc1ccccc1CN1CC[C@@]2(CCCN(C(=O)c3c(C)noc3C)C2)C1 4238075 UQTBKSWZOXOTSS-QFIPXVFZSA-N 383.492 3.428 0 1 GGAF C[C@@H]1CCCN(C(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)C1 6936767 LDRZZCIYRDRBKP-MRXNPFEDSA-N 396.539 3.028 0 3 GGAF O=C(C1=CC2=N[C@H](c3ccc(Cl)cc3)C[C@H](C(F)(F)F)N2N1)N1CCCC1 104010416 JOYYBMUWQZZUAD-DZGCQCFKSA-N 398.816 3.441 0 3 GGAF COc1cc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc(OC)c1OC 102794476 ACPIOBQJCNZEPH-OAHLLOKOSA-N 399.838 3.408 0 1 GGAF CONc1nc(N)nc2ccc(S(=O)(=O)c3ccc4ccccc4c3)cc12 26263558 XZQPMCYXYAVBID-UHFFFAOYSA-N 380.429 3.171 0 1 GGAF CC(=O)NCc1ccccc1CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1 28472223 KFPQECFVMBROQX-HSZRJFAPSA-N 393.531 3.161 0 1 GGAF C[C@@H]1Nc2ncnc(N3CCc4ccccc4C3)c2N(Cc2ccccc2)C1=O 72136861 BPHNKQADTAHXLN-INIZCTEOSA-N 385.471 3.387 0 3 GGAF O=C1c2cc3c(cc2OCN1CCCc1ccccc1)C(=O)N1CCC[C@H]1O3 72173181 DILXVHUGIUTGKT-HXUWFJFHSA-N 378.428 3.066 0 1 GGAF O=C1OCC2=C1[C@H](c1ccc3c(c1)OC(F)(F)O3)c1cc3c(cc1N2)OCO3 40940547 QSPRTWJOHOJNPK-MRXNPFEDSA-N 387.294 3.105 0 1 GGAF CCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@H](c1ccccc1)CN2 82208938 MWJIVNYBSDFFHL-SFHVURJKSA-N 376.460 3.047 0 1 GGAF CCOC(=O)c1cc(-c2ccccc2)nn1C[C@H](O)COc1ccccc1OC 40585029 VWYQJCOBYVNMFG-KRWDZBQOSA-N 396.443 3.175 0 1 GGAF Cc1csc(N2NC(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)n1 49112137 KYESWVXTUKXOKB-BTRQGYIVSA-N 387.464 3.353 0 1 GGAF CCOP(=O)(OCC)[C@H](OC(C)=O)c1cc2ccc(C)cc2n2nnnc12 49048313 XYRNZWDCTQLMPY-KRWDZBQOSA-N 392.352 3.414 0 1 GGAF Cc1nc(N2C[C@@H](C)O[C@H](C)C2)sc1C(=O)Nc1ccc2c(c1)OCO2 230563222 RANZUPJSBUXAJG-GHMZBOCLSA-N 375.450 3.046 0 1 GGAF CCOc1c(OC)c(OC)cc2c1C(=O)[C@@H]1[C@H]2Nc2ccccc2[C@@H]1C(=O)O 95586245 LURYDSLPRIOLLO-XIRDDKMYSA-N 383.400 3.250 0 1 GGAF CCCN(C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F 142929749 OBJZEJYAHAWEPJ-SNVBAGLBSA-N 388.365 3.355 0 1 GGAF CCCn1cc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cn1 142929261 NNOFQVDLLONKAU-BJMVGYQFSA-N 396.472 3.173 0 1 GGAF Cc1ccc(CNC(=O)[C@@H]2C[C@H]3Cn4c(nc5cc(C)c(C)cc54)[C@H]3N2C)o1 254121107 YUJOHWVYKAPKFZ-YSSFQJQWSA-N 378.476 3.246 0 3 GGAF Oc1nc2sccc2c(NCCN2CCOCC2)c1-c1nc2ccccc2[nH]1 299832409 VQFWVSIEAILIIO-UHFFFAOYSA-N 395.488 3.289 0 1 GGAF O=C(N[C@@H](CO)c1ccccc1)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21 299840964 XBBRBQCGGXLGGN-SIIHOXLZSA-N 395.409 3.274 0 1 GGAF CC[C@H](C)Cn1c(-c2c(F)cccc2F)c(Cl)nc(-n2ccnn2)c1=O 653788018 LMHHZXAKNLFOLG-JTQLQIEISA-N 379.798 3.469 0 1 GGAF O=C(NCc1nc2cc3c(cc2[nH]1)OCCO3)c1cccc(C(F)(F)F)c1 587111138 JJSKUDCWJBJZKR-UHFFFAOYSA-N 377.322 3.283 0 1 GGAF N=c1[nH]ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586961593 SEJBEUYPULDZQQ-XKQJLSEDSA-N 397.504 3.065 0 1 GGAF COC(=O)c1scnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587853896 ONKUKURTAWWIOF-KRTXAFLBSA-N 385.258 3.455 0 1 GGAF CCOC(=O)C[C@@]1(CCOC)N[C@H](C)Cc2cc(Br)c(F)cc21 587794210 OTRDXYQGXXWPFM-PIGZYNQJSA-N 388.277 3.307 0 1 GGAF O=C(O)c1cc(F)cc2nc(-c3cncc(I)c3)[nH]c12 587184294 IBMMZMKVKQSCCI-UHFFFAOYSA-N 383.120 3.067 0 1 GGAF Cc1c(Br)c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)nn1C 587872858 RYIDTRFQHRHINV-UHFFFAOYSA-N 377.173 3.288 0 1 GGAF CC(C)OC(=O)C1(c2nc3ccc(OCCN(C)C)cc3[nH]2)CC(F)(F)C1 587131571 OIJFNDCEVCUACL-UHFFFAOYSA-N 381.423 3.122 0 1 GGAF CC(C)(C)OC(=O)N1CC2(C1)OC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587518135 BMUVGEBNILYJNA-NRFANRHFSA-N 385.460 3.289 0 1 GGAF COc1ccc2c(c1OC)[C@@H](c1cc(C)on1)N(C(=O)c1ccccc1N)CC2 963142628 QNDHVSVZCVKASW-HXUWFJFHSA-N 393.443 3.370 0 1 GGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](Cn2ccnc2)(c2ccc(Cl)cc2)N1 962911045 ODLCENZQZMEMOS-FXAWDEMLSA-N 385.826 3.218 0 1 GGAF Cc1cc(=O)c2c(O)cc(OCc3ccccc3)c([C@H]3CCN(C)C[C@H]3O)c2o1 1772604266 OFSBCPBKZRRSPR-QFBILLFUSA-N 395.455 3.166 0 1 GGAF CCS(=O)(=O)NCc1nc(NCCCc2ccccc2)c2ccccc2n1 12218246 VCIOQKVEBRQKLU-UHFFFAOYSA-N 384.505 3.114 0 1 GGAF C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43CCOS(C)(=O)=O)[C@@H]1CCC2=O 14947039 MBCXWFIZCYINFZ-SQBLYHGDSA-N 392.517 3.354 0 1 GGAF COc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccco2)cc1 15935714 PQSVGZHDXDFLAM-UHFFFAOYSA-N 389.411 3.367 0 3 GGAF CN1[C@@H]2CC[C@H](C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C2)N1Cc1ccccc1 169339089 FSXARCBKVDGZDF-LUKWVAJMSA-N 394.515 3.348 0 1 GGAF CC(=O)NCCN(C(C)=O)[C@@H](c1ccccc1)[C@@H](OC(C)=O)c1ccccc1 169344996 KHAAQEOHNGZBOE-VXKWHMMOSA-N 382.460 3.017 0 1 GGAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N[C@H]1CC(C)(C)N([O])C1(C)C)O2 205778449 OQGSSYOZSANNFX-AOMKIAJQSA-N 389.516 3.494 0 1 GGAF Cn1c(=O)n(-c2cc(-c3ccc(F)cc3F)[nH]c3nccc2-3)c2ccncc21 1857575717 OCKYFSFDODRWGR-UHFFFAOYSA-N 377.354 3.497 0 1 GGAF COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc(OC)c1O 2356402980 WQXZSCSXVJCPOG-FJAKRLOMSA-N 386.400 3.213 0 1 GGAF Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCCC2)S3)cc1 3008042 BRSJFAGGXJTYSM-OAQYLSRUSA-N 381.501 3.391 0 1 GGAF Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(C(=O)Nc1cccc(F)c1)C2 3955863 KLXLZZUOXOURKS-UHFFFAOYSA-N 386.427 3.201 0 1 GGAF CCc1cc2c(cc3c(=O)n(CC(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)ncn32)s1 6749553 WXLHPRCCYZJNIP-KCQAQPDRSA-N 386.521 3.214 0 1 GGAF Nc1ccc(C(=O)CNc2nc(-c3ccc(OCC(=O)O)cc3)cs2)cc1 53244004 AFADTGYBMYQLDP-UHFFFAOYSA-N 383.429 3.151 0 1 GGAF CCCNC(=O)CN1C(=O)c2c(c3ccccc3n2C)[C@@H]1c1ccc(OC)cc1 8594149 QRCSUGCLBXROBP-NRFANRHFSA-N 391.471 3.258 0 1 GGAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1C1=CCN(C(=O)OC)C=C1 27711802 ZYXOSBBSTXEUCI-PQMNFKMDSA-N 390.436 3.242 0 1 GGAF C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]3CC[C@@H](C(=O)CO)[C@@]3(C)C[C@@H](O)[C@@]12F 27443105 XYDNPTJGIVWGBA-QZYSJJTISA-N 378.484 3.005 0 1 GGAF CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1cncc(Br)c1 61897421 WOSRWTXRZUIEAC-KRWDZBQOSA-N 382.302 3.145 0 3 GGAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@@H](c1cc3c(cc1O)OCO3)CO2 2356604926 KVXOATYTYZJCLO-CYBMUJFWSA-N 384.384 3.400 0 1 GGAF CN1CCN(CCCOc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1 28565515 ZLXGCJYBWWEVOC-UHFFFAOYSA-N 394.471 3.182 0 1 GGAF COCCN/C=C1\C(=O)N(C)c2cc(Cl)ccc2N(c2ccccc2)C1=O 66263063 OZCQPCILKROXML-DTQAZKPQSA-N 385.851 3.101 0 1 GGAF CC[C@]12CCCN3CC[C@]4(c5ccccc5N(C(=O)OC)[C@@H]4[C@@H](C(=O)OC)C1)[C@@H]32 15148933 GUTNOOLYGSHCAW-PWFMXTRISA-N 398.503 3.337 0 1 GGAF biogenic O=C1N(CCCC(F)(F)F)c2ccccc2[C@@]1(O)c1ccc2c(c1)OCO2 71341121 HSQLLHOPQIDVOL-IBGZPJMESA-N 379.334 3.340 0 1 GGAF FC(F)(F)c1cccc(-n2nnc3ccc(NCC4CCNCC4)nc32)c1 73278129 WEEAAWDWMSLOLM-UHFFFAOYSA-N 376.386 3.246 0 1 GGAF COc1cc(OC)c2c(=O)c(OC)c(-c3cc(OC)c(OC)cc3O)oc2c1 14436496 ADOHURJYHKZUGI-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic CC[C@H](Nc1nc(NCc2ncccc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O 96177800 QGYOSHFQLATNCO-CABCVRRESA-N 383.500 3.294 0 1 GGAF CC1=C[C@@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)NCc3ccccc3)C(=O)[C@H]21 195181580 DXHRWRQLRWGVBH-UURKPOQGSA-N 397.544 3.035 0 1 GGAF COc1ccc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)n3nc(C)cc32)cc1 96906028 RUUJDLSJAYXIRG-HSZRJFAPSA-N 396.454 3.125 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 95601280 IMFSULNLOWEARV-GOSISDBHSA-N 375.421 3.061 0 3 GGAF C=C1c2cccc(O)c2C(=O)c2c1cc(O)c1c(=O)cc([C@H](C)[C@H](C)O)oc21 238736239 JPIKFLJADUHSCV-KOLCDFICSA-N 378.380 3.294 0 1 GGAF CCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(OC)c3)ccc1N(C)[C@H]2CO 95877804 BTQNNHATDNSPFK-HARLFGEKSA-N 380.488 3.473 0 1 GGAF C/C=C/c1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1ccccc1)[C@H](CO)N2 95877880 DRZCFMNSDXGRQY-FNNACCGCSA-N 384.501 3.258 0 1 GGAF CCO[C@H]1OC[C@@H]2[C@@H](c3ccc(O)c(OC)c3)c3cc(O)c(OC)cc3C[C@@H]12 238750090 RNOPWZULBAWWIL-AERDPVEMSA-N 386.444 3.428 0 1 GGAF Cc1cc(Oc2ncccc2OC2CC2)ccc1-c1c(C)c(O)nc(=O)n1C 261093762 DYVHGQQDGGGFCD-UHFFFAOYSA-N 379.416 3.498 0 1 GGAF CCNC(=O)Nc1cc(Nc2cccc(O)c2)c(C(=O)Nc2cccnc2)cn1 299832303 UNPWBBYTMMYTPY-UHFFFAOYSA-N 392.419 3.320 0 1 GGAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(O)ncnc3[nH]1)N2 587030965 KIUHBCUZUBYKMN-HMXLAXJASA-N 388.478 3.185 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cn1)OCCO2 587589520 XPGZDWZCMOJLEK-NQIIRXRSSA-N 377.352 3.261 0 1 GGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C1=CN2NC=NC2=NC1=CC3 587107532 UERJYZQTLIBITO-UHFFFAOYSA-N 375.391 3.445 0 1 GGAF CC[C@@H](c1nc2cc(C)cnc2[nH]1)n1cc(I)c(C)n1 587184272 HMQAYXZSRZQJOD-LBPRGKRZSA-N 381.221 3.375 0 1 GGAF COC(=O)[C@@H]1C(=O)Cc2nc3ccc(O)c4c3c(c2[C@H]1C)-c1ccccc1C4=O 586992711 SHGKGDZUTUARMW-MGNBDDOMSA-N 387.391 3.170 0 1 GGAF CC[C@]1(c2cn[nH]c2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962924246 WTGGIHVYOAKSFD-PZJWPPBQSA-N 379.416 3.160 0 1 GGAF Cc1ccc(S(=O)(=O)n2cccc2[C@@]2(C)NCCc3c(C)ccnc32)cc1 963075563 SOSGPFYBFWJESQ-OAQYLSRUSA-N 381.501 3.146 0 1 GGAF S=C(Nc1ccc(Cl)c(Cl)c1)Nn1c(S)nnc1-c1cnccn1 1772590832 WYLDSKORBYQPNH-UHFFFAOYSA-N 398.304 3.271 0 1 GGAF CCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)O)ncc12 1772636025 DVTYGBADWQQMFP-INIZCTEOSA-N 387.415 3.129 0 1 GGAF CCc1c(C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1cccc(Cl)c1 13446201 IXHUYYDOAJGIFY-UHFFFAOYSA-N 386.835 3.468 0 1 GGAF CC1=NC(=O)N[C@H](c2ccc(F)cc2)[C@H]1C(=O)OCc1ccc2c(c1)OCO2 169687113 MWZUMLFQXTXCOK-ZWKOTPCHSA-N 384.363 3.139 0 1 GGAF Cc1ccccc1-c1nc(CN2CCC(C(=O)NC[C@H]3CCCO3)CC2)c(C)o1 4078218 VJDQCOHHIVWHFY-LJQANCHMSA-N 397.519 3.466 0 3 GGAF CCCNC(=O)NS(=O)(=O)c1cnccc1Sc1ccc(Cl)cc1 6486161 UCLMXIOMWVTCGI-UHFFFAOYSA-N 385.898 3.284 0 3 GGAF Cc1cccc(N2C(=O)c3ccccc3[C@]2(O)c2ccc3c(c2)NC(=O)CO3)c1 59203436 DZCBRTBEXDTPDC-HSZRJFAPSA-N 386.407 3.180 0 1 GGAF Oc1nc2c(c3nc(-c4ccccc4F)cn13)CN(Cc1cccnc1)CC2 100048626 VKWYSXDERHIYKE-UHFFFAOYSA-N 375.407 3.194 0 1 GGAF CCNc1nc(-c2ccc(C3CCN(CC)CC3)nc2)cc2ncn(C)c(=O)c12 115625673 SNFOJJZEARUBDP-UHFFFAOYSA-N 392.507 3.022 0 1 GGAF NC(=O)[C@@H](Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(=O)O 27100011 CTINALKUKCEPOT-HXUWFJFHSA-N 379.412 3.026 0 1 GGAF CC=C(C)C(=O)OC(C)(C)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@@H]1OC(C)=O 2356727786 UGPGHYBHAGRUHW-RBUKOAKNSA-N 386.400 3.446 0 1 GGAF COc1cccc(CC(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)s2)c1 72125839 KWAAKSALMOHYRK-UHFFFAOYSA-N 383.429 3.166 0 1 GGAF COC(=O)c1ccc(C[C@H](C)NC[C@H](O)c2cccc(Br)c2)cc1 45302692 OOCOXCZDAWGKBU-UGSOOPFHSA-N 392.293 3.490 0 1 GGAF COC(=O)c1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(Br)c2)cc1 45302695 OOCOXCZDAWGKBU-FZKQIMNGSA-N 392.293 3.490 0 1 GGAF CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F 95894272 NSLHUDQKDUGEFF-HKBOAZHASA-N 383.467 3.094 0 1 GGAF C[C@H](NC(=O)Nc1ccc(NS(N)(=O)=O)cc1)c1cccc2ccccc12 95586166 FMKCGWOUHFVPIR-ZDUSSCGKSA-N 384.461 3.338 0 1 GGAF CC1=NN(C(=O)Nc2ccccc2O)C(C)=NN1C(=O)Nc1ccccc1O 96937990 CROFGOCXJXBYCL-UHFFFAOYSA-N 382.380 3.146 0 1 GGAF COc1cccc(OCCNCCN2C(=O)c3cccc4cccc(c34)C2=O)c1 96928015 PWJRCEFNZHHJBF-UHFFFAOYSA-N 390.439 3.113 0 1 GGAF O=C(CC1CC1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccccc1)C2 95668145 TVEQATKEILXEBM-JTHBVZDNSA-N 376.500 3.028 0 1 GGAF CCCC[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@H](C)/C(=C6\OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 263636275 DTVYAHOULQCSMS-VZKZLIHYSA-N 387.476 3.090 0 1 GGAF CC[C@H](c1nc2ccc(OC)nc2[nH]1)n1cc(I)c(C)n1 587184669 LPOPIVWZGWXORG-LLVKDONJSA-N 397.220 3.075 0 1 GGAF CCOC(=O)c1cc(C)n(-c2nn(-c3ncccn3)cc2Br)c1C 587939913 MRFFMGOMWZKFCY-UHFFFAOYSA-N 390.241 3.009 0 1 GGAF COc1ccc(CN2CC[C@@]3(CC2=O)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 587435586 GSPNQXHFSRNCOO-JPYJTQIMSA-N 393.439 3.013 0 1 GGAF CCCc1c(O)ccc2c1OC1(CCN(CCC(=O)OCC)CC1)CC2=O 587480833 WMCNBMHEOYGMQS-UHFFFAOYSA-N 375.465 3.098 0 1 GGAF Cc1ccc(S(=O)(=O)n2ccc([C@@H]3NCCc4c3c(C(C)C)nn4C)c2)cc1 962909194 KSEYWYSFKJMVFD-NRFANRHFSA-N 398.532 3.126 0 1 GGAF O=C(NC[C@@H]1CCCOC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167196294 DJYQRWYKPRBBIF-INIZCTEOSA-N 379.460 3.391 0 1 GGAF CCOc1ccc(Br)c(OCC)c1C(=O)NC[C@H]1CCCN1CC 2021785 COUNHWNBSLLUAL-CYBMUJFWSA-N 399.329 3.461 0 1 GGAF COC(=O)c1c(C)c(Oc2cc(C)cc(O)c2COC(C)=O)c(O)c(C)c1O 14653312 LYMCLDFTNVQAAY-UHFFFAOYSA-N 390.388 3.371 0 1 GGAF biogenic OCCSc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12 28958804 BSDSWEOFXZHHPJ-UHFFFAOYSA-N 377.473 3.488 0 1 GGAF C[C@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1cccc2cccnc12 40950218 OQRZZLYZUMRNNK-NSHDSACASA-N 387.848 3.424 0 1 GGAF CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(-c4ncn(C)n4)cc32)CC1 64540601 VKHDCWQCGOAHKV-LJQANCHMSA-N 391.544 3.478 0 1 GGAF CC(C)n1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82206022 UGAQBZYTOGYMGO-HZPDHXFCSA-N 388.512 3.409 0 1 GGAF CCO[C@H]1OC(C(=O)O)=C[C@@H](c2ccc(Br)cc2)[C@@H]1CCCO 95783965 ICEKADMOAKWFMP-ZQIUZPCESA-N 385.254 3.283 0 1 GGAF O=C(Nc1ccn(-c2ccncc2)n1)c1nc(C2CC2)ccc1Nc1cncnc1 96167380 SWHRGFCOHCABRF-UHFFFAOYSA-N 398.430 3.326 0 1 GGAF COC1CCC2(CC1)Cc1ccc(Cl)cc1[C@@]21N=C(N)N(C(C)C)C1=O 141702435 WDPCNQFTFOPBBS-OAAAQFAESA-N 375.900 3.232 0 1 GGAF O=C(C[C@@H]1CCOC1)Nc1ccc(NC(=O)N2Cc3ccc(CO)cc3C2)cc1 167136781 IUNZNUUMZNQPTB-INIZCTEOSA-N 395.459 3.092 0 1 GGAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(S(C)(=O)=O)n1 169700082 CJTDFLCWYUMWKH-UHFFFAOYSA-N 399.447 3.496 0 1 GGAF CC(C)c1cccc(NC(=O)c2ccnc(N3CCc4nc(N)ncc4C3)c2)c1 169710072 XCYVAZPCOQLLMM-UHFFFAOYSA-N 388.475 3.392 0 1 GGAF CC1(C)Cc2c(sc(NC(=S)NC(=O)c3cccs3)c2C(=O)O)CO1 199132919 GSBRCMRXWNQFFX-UHFFFAOYSA-N 396.515 3.486 0 1 GGAF CC1[C@H]2CC3C[C@H]1CC(C(=O)N1CCN(c4cccnc4C#N)C[C@H]1C)(C3)C2 207688694 HPOKCTFUFZGTGF-KRORPITMSA-N 378.520 3.453 0 1 GGAF in-vitro CC(=O)O[C@H]1C[C@H](C)[C@@](O)(CCC2=CC(=O)O[C@H]2O)[C@]2(C)CCCC(C)(C)[C@@H]12 238759290 ZHDFOHJIRGVVGC-ROIGKGQYSA-N 394.508 3.103 0 1 GGAF CCc1cc(-c2cc([C@H]3CC[C@H](O)CC3)n3ncnc(N)c23)cc(F)c1CO 261184460 WYBNLHIHRKKQQO-CTYIDZIISA-N 384.455 3.191 0 1 GGAF COCCn1c(=O)oc2cc3ncnc(Nc4cccc(C(C)=O)c4)c3cc21 473120145 BZDMINDRCWDVAJ-UHFFFAOYSA-N 378.388 3.130 0 1 GGAF O=C1O/C(=C/c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c2ccccc21 586905898 GCHMVDYGQPSEHK-XNTDXEJSSA-N 385.383 3.291 0 1 GGAF COC(=O)c1cc(Br)c2nc(-c3cc(F)cnc3OC)[nH]c2c1 587176422 SYHJYJJMAARZEN-UHFFFAOYSA-N 380.173 3.322 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@@H](C(=O)O)c3ccccc3)CC1)O2 587392742 CSJOVLBYWLHUMC-LJQANCHMSA-N 380.444 3.203 0 1 GGAF COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587586507 IQXZEBJVBIQONQ-XLIONFOSSA-N 377.352 3.277 0 1 GGAF Cc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N(C)C)n1 587759026 ZTNFJAKHIQHGQN-XXFAHNHDSA-N 379.277 3.376 0 1 GGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)N1CCN(C)CC1 587858990 FIEFAFRCKHEQPM-UHFFFAOYSA-N 383.279 3.471 0 1 GGAF COc1ccc([C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1N 962647923 VBECNVKQNHDWMJ-SIKLNZKXSA-N 377.444 3.014 0 1 GGAF COc1nc(C2=NOC[C@H](c3cc4ccccc4o3)N2)ccc1-n1cnc(C)c1 1772633423 YOJYAOMAAVBZQG-MRXNPFEDSA-N 389.415 3.353 0 1 GGAF CCCCNC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)nc2ccccn12 1857575200 QFRDQXZMKZYFCX-UHFFFAOYSA-N 396.447 3.134 0 1 GGAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCCC1)c1ccc(C(F)(F)F)cc1 2356538665 MVDNTCKVTXVYBA-LMMKCTJWSA-N 395.469 3.241 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@H]1c1ccc(C)cc1 95568802 GZPGDFAZDBJORF-IBGZPJMESA-N 389.448 3.369 0 3 GGAF Cc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@H]3C2)cc1 253977475 LGHNSILAIFKICR-LEWJYISDSA-N 380.540 3.356 0 3 GGAF COc1cc2c(cc1OC)[C@@H](Cc1cccc(OC)c1OC)C(=O)N(C)CC2 4173568 LYSJMIMZGBQZMH-QGZVFWFLSA-N 385.460 3.062 0 1 GGAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4216303 BFVXDSIVYSWWMQ-WDSOQIARSA-N 391.537 3.499 0 1 GGAF CC(=O)OCC=C(C)C[C@H](C=C(CC=CC(C)(C)O)COC(C)=O)OC(C)=O 2356403160 APEPJYDHTDGGGS-HXUWFJFHSA-N 396.480 3.024 0 1 GGAF CCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O 8582794 BUJFXSGOEVXLLM-UHFFFAOYSA-N 394.427 3.204 0 3 GGAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]1C[C@@H](C(N)=O)C2 101069228 VSBPAZLSKLWBGS-WBOJAVRRSA-N 378.900 3.294 0 1 GGAF O=Cc1cccc(OCCCN2CCN(C(=O)c3ccccc3Cl)CC2)c1 103195689 IZFNHVDSSUMDDJ-UHFFFAOYSA-N 386.879 3.379 0 1 GGAF COc1cccc([C@@H]2C[C@H](C(F)(F)F)N3NC=C(C(=O)NC(C)(C)C)C3=N2)c1 104010009 OPFPOCVGCULJDO-LSDHHAIUSA-N 396.413 3.088 0 3 GGAF COc1cc(-c2nc(C(=O)c3ccc(F)cc3)n(C)n2)ccc1-n1cnc(C)c1 114917189 BXWGPWVYGNJWHA-UHFFFAOYSA-N 391.406 3.355 0 1 GGAF CC(C)[C@H](NC(=O)Cn1ccc2c3ccccc3nc-2c1O)C(=O)C(F)(F)F 100729469 QPFLJGQQATWAHY-HNNXBMFYSA-N 393.365 3.119 0 1 GGAF CCC(CC)c1cc(-c2ccc(N3CCOCC3)nc2)nc2ncnc(N)c12 27984283 JGGMRYXLZPIOPO-UHFFFAOYSA-N 378.480 3.409 0 1 GGAF COC(=O)CC[C@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@@]2(C)C(C(=O)OC)=CCC[C@H]12 2356769348 BRPLPGDXTHMNKH-PGBNIQHZSA-N 380.481 3.433 0 1 GGAF CN(C(=O)OC(C)(C)C)[C@H](CC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)O 2356866166 VMRWTXSZXQWXDI-NSOUWEPUSA-N 381.469 3.209 0 1 GGAF O=C(Nc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12 73071882 BCSGRGSIUPINQK-UHFFFAOYSA-N 383.835 3.479 0 1 GGAF O=C(Nc1ccc(OCCN2CCOCC2)cc1)NC12CC3CC(CC(C3)C1)C2 38239095 KBBPIMFKALETHC-UHFFFAOYSA-N 399.535 3.488 0 1 GGAF CCCCOCCOC(=O)[C@@H](C)NC(=O)c1csc(-c2ccccc2)n1 82070780 LCXAQXLTPIKWHW-CQSZACIVSA-N 376.478 3.288 0 1 GGAF C[C@@H](Oc1nnc(-c2cc[nH]c(=O)c2)n1C)c1noc(-c2cccc(Cl)c2)n1 143032621 AQPUHGUBCHMZEI-SNVBAGLBSA-N 398.810 3.014 0 1 GGAF NC(=O)NCCC[C@H](N)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587259811 MSTPMZBSWXDTGB-QMMMGPOBSA-N 383.296 3.049 0 1 GGAF COc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)n1 587771719 CLYSDJRISOHVPZ-XLKFXECMSA-N 382.233 3.019 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3[nH]c(=N)sc3C2)N1 587856540 IHQBKCXSXWSEBM-PWJLMRLQSA-N 382.302 3.376 0 1 GGAF CN1CCN(c2ccc3nc([C@H](CN)Cc4ccc(Cl)cc4)[nH]c3c2)CC1 587068731 CKUHLAJRMOPGJB-INIZCTEOSA-N 383.927 3.253 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1nc(OC)ccc1Br)[C@@H](C2)C3=O 587413776 QDNAZLSJIRUEFF-BTDLBPIBSA-N 376.206 3.350 0 1 GGAF O=S(=O)(Nc1ccsc1-c1nc2cnncc2[nH]1)c1ccc(F)cc1 587170625 RTGRZSVDESGIHM-UHFFFAOYSA-N 375.410 3.021 0 1 GGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 586940903 JUAJPZHAZGKLJB-VOTSOKGWSA-N 396.394 3.375 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cn1cncn1)C1(Cl)CC1 587547496 SYTAYGNZMCELSG-OXJNMPFZSA-N 397.818 3.156 0 1 GGAF CC(=O)Nc1sc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1C(=O)O 587411685 UJWDXEUMQUOPPV-LJQANCHMSA-N 388.445 3.484 0 1 GGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cnc(OC)c(Br)c1 963607807 KLHJHJMYGFQZGI-BMLIUANNSA-N 393.281 3.494 0 1 GGAF Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2C[C@@H]1CCNCC1(F)F 1772626934 UVGKWLOZFKGPMD-JTQLQIEISA-N 394.813 3.099 0 1 GGAF Cc1ccc(N[C@@H]2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)cc1C 11665191 NLKNIVXRVDRRQF-GOSISDBHSA-N 376.460 3.028 0 3 GGAF O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 12431732 KREQDQLVUJHFTE-GOSISDBHSA-N 394.487 3.296 0 3 GGAF O=C(c1cc(COc2cccc3cnccc23)on1)N1CCC[C@H](CCCO)C1 12763543 OHPDOBMIRHTURQ-MRXNPFEDSA-N 395.459 3.427 0 3 GGAF CC(=O)Oc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 13832029 BTPYOUZRBQENFS-UHFFFAOYSA-N 392.455 3.196 0 1 GGAF N[C@H](COc1cncc(-c2cnc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12 14962371 NDICSBBPLKHPTN-SFHVURJKSA-N 399.454 3.068 0 1 GGAF COc1cc(CO)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1 223108521 XASIDLKFOKNOHS-LJQANCHMSA-N 390.443 3.271 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)N1CCOCC1 4154036 VRVBWJDQFRSYSY-PKOBYXMFSA-N 386.473 3.097 0 1 GGAF CCCCNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc12 4316455 KUBPLNHBDKRQHU-UHFFFAOYSA-N 387.490 3.384 0 1 GGAF CCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCC)C1c1[nH]cnc1Cl 103222102 ADDWQTYLBZVYDW-UHFFFAOYSA-N 381.860 3.204 0 1 GGAF Cc1ccc(C2=NN=C3C(F)=Cc4c(n(C5CC5)cc(C(=O)O)c4=O)N3C2)cc1 1911574932 HIQFEPCNZMBIAZ-UHFFFAOYSA-N 392.390 3.137 0 1 GGAF CCNc1nc(-c2ccc(C3CCN(C)CC3)c(F)c2)cc2ncn(C)c(=O)c12 115625253 HNXLRESWSYXTNA-UHFFFAOYSA-N 395.482 3.376 0 1 GGAF Cc1ccccc1N1C(=O)c2ccccc2[C@@]1(O)c1ccc2c(c1)NC(=O)CO2 116257622 OSHCUSAHWYVQHT-QHCPKHFHSA-N 386.407 3.180 0 1 GGAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC[C@@H]3C(=O)OC[C@H]3[C@@]21CO 2356803075 WRNVUAQTKPLALF-XTJUHGGMSA-N 378.509 3.332 0 1 GGAF C[C@@H](c1ccc(Cl)cc1)N1Cc2cncn2[C@H](CC2(C)COC2)S1(=O)=O 62224245 GVZKXJCNQYYFST-GUYCJALGSA-N 395.912 3.368 0 1 GGAF COc1cc(OC)c2c(=O)c(OC)c(-c3cc(O)c(OC)cc3OC)oc2c1 14436494 FEPHVCACIOGMKO-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic CCOC(=O)C1=C(c2ccc3c(c2)OCO3)Nc2cc(OC)ccc2[C@H]1NC 49068333 SYLJXJQQWIVPGR-HXUWFJFHSA-N 382.416 3.084 0 1 GGAF CC(=O)N1CCN(c2ncc(-c3ncc(C)o3)c(-c3cccc(C)c3)n2)CC1 82173255 KVWMKDCODNAPBE-UHFFFAOYSA-N 377.448 3.084 0 1 GGAF COC(=O)CC[C@@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@@]2(C)C(C(=O)OC)=CCC[C@@H]21 221292558 BRPLPGDXTHMNKH-KLEFUKBASA-N 380.481 3.433 0 1 GGAF COc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(OC(C)=O)c(OC)c3o2)cc1 142987854 JYMQKZYMIIWFAO-UHFFFAOYSA-N 398.367 3.328 0 1 GGAF CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 95874433 BBUYQEWTRUJGII-YTFSRNRJSA-N 382.479 3.264 0 1 GGAF Cc1cc(C)cc(Cn2c(=O)cc(N3CCCC3)n(Cc3ccccc3)c2=O)c1 96914711 QLFWEKDPPOXVCB-UHFFFAOYSA-N 389.499 3.324 0 1 GGAF CN1C(=O)NCc2c(NC(=O)N[C@H]3COc4cc(Cl)ccc4C3)cccc21 143445353 LYHWGNYDEXUBFH-CYBMUJFWSA-N 386.839 3.125 0 1 GGAF Fc1ccn2c(-c3ccc4cccc(O[C@@H]5CCNC[C@H]5F)c4n3)nnc2c1 96175025 GMEASXSIOIGYFE-GDBMZVCRSA-N 381.386 3.162 0 1 GGAF CC(C)C[C@H](C(N)=O)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 95555343 PKJLURWMHHUDLR-GOSISDBHSA-N 394.924 3.431 0 1 GGAF NC(=O)c1ccc2c(c1)OCCc1cc(-c3ncnn3CC(F)(F)F)sc1-2 95583032 YUZLYCJCTIGOKS-UHFFFAOYSA-N 394.378 3.270 0 1 GGAF COc1cc2c(cc1OC)-c1cc(=Nc3c(C)cccc3C)n(C)c(=O)n1CC2 253673111 PJMPCGMCHHTVIL-UHFFFAOYSA-N 391.471 3.276 0 1 GGAF c1cncc(-n2c(CO[C@@H]3CCCCO3)nnc2SC[C@H]2CCCCO2)c1 618017168 HKRNNDQIHQIUNP-SJLPKXTDSA-N 390.509 3.367 0 1 GGAF Cc1ccc(S(=O)(=O)N2CCN(c3noc4c(Cl)cccc34)CC2)cc1 299828306 QRWFTXVGMSFPFN-UHFFFAOYSA-N 391.880 3.301 0 1 GGAF Cc1nc2ccncc2n2c(-c3cc(N4CCOCC4)ccc3Cl)nnc12 299864823 MYUCBLZOKIPRAT-UHFFFAOYSA-N 380.839 3.138 0 1 GGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)c1 299884486 TWMYJPKVTQAECK-BUVFEPMLSA-N 395.503 3.243 0 1 GGAF COC1=COC(CO)=C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357210 SYIBJGJMTKNROX-FPOVZHCZSA-N 384.359 3.023 0 1 GGAF CCOC(=O)Cc1ccc2nc(Cc3cccc(S(=O)(=O)CC)c3)[nH]c2c1 586921306 FVZYLGLHOFBMNC-UHFFFAOYSA-N 386.473 3.053 0 1 GGAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 586983591 FGVYRRQALJKVAV-GFCCVEGCSA-N 378.201 3.405 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587441173 RSNRIJMPCVASDC-RCDICMHDSA-N 390.395 3.345 0 1 GGAF CCOc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1 136527463 VKKFMVDGGXWHKG-UHFFFAOYSA-N 398.691 3.154 0 1 GGAF O[C@H]1CCCCCCCN=C2N=c3c(c(-c4ccccc4)cn3CCCC1)=CN2 1772622318 ZJTWKNHQHNLTPO-FQEVSTJZSA-N 392.547 3.357 0 1 GGAF CCN(CC)CCCNC(=O)c1[nH]c(C)c(C(=O)NC2CCCCC2)c1C 5135779 KBSBLELZMUILLC-UHFFFAOYSA-N 376.545 3.156 0 3 GGAF COc1ccccc1OCC(=O)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 14950262 CNQRVERNHNTVSO-HNNXBMFYSA-N 376.403 3.455 0 3 GGAF Oc1cc(O)c(-c2n[nH]cc2N2CCN(Cc3ccccc3)CC2)cc1Cl 14974799 UTZZWINLZZXVCG-UHFFFAOYSA-N 384.867 3.464 0 1 GGAF CN(C)c1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1 205722966 VOCLXCQELMHFCI-GOSISDBHSA-N 379.243 3.472 0 1 GGAF CCOC(=O)C(C)(C)Oc1ccc(C(=O)c2cc3cc(N)ccc3oc2=O)cc1 1857639501 MVQZWGANTYDVPK-UHFFFAOYSA-N 395.411 3.327 0 1 GGAF COc1cc(CCC(=O)CC(=O)[C@@H]2C=Cc3[nH]ccc3[C@H]2C[C@@H](C)O)ccc1O 2356424878 XXIACEMGIURVEE-NIKGAXFTSA-N 397.471 3.388 0 1 GGAF CC(=O)O[C@H]1[C@H](O)[C@]2(O)C(C)(C)CCC[C@@]2(C)[C@H]2Cc3occc3[C@@H](C)[C@H]21 2356425199 ACCJIJJOPXNXTB-YUGFUZGXSA-N 376.493 3.425 0 1 GGAF CCc1c(Sc2cc(C)cc(C)c2)n(OCc2ccccc2)c(=O)[nH]c1=O 6424952 BVGMZCBXOHRPSL-UHFFFAOYSA-N 382.485 3.496 0 1 GGAF COc1ccc2c(c1O)[C@]13CCN(C)[C@@H](C2)[C@]1(O)C[C@H]1c2ccccc2N[C@H]1C3 101365783 IHRCRJPSYSWXEH-WRAITYEKSA-N 392.499 3.002 0 1 GGAF Cc1onc(-c2ccccc2)c1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 58649797 SLNOTSHFPJYLEY-INIZCTEOSA-N 397.456 3.082 0 1 GGAF COC(=O)c1cncc(/C=C/c2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1 28896778 DPLYRWPGMCSKLU-ONEGZZNKSA-N 375.388 3.314 0 1 GGAF C[C@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)C(F)(F)F)OCO3 25987738 CTMXSOSYRJUFRS-JTQLQIEISA-N 391.349 3.085 0 1 GGAF Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)c(Cl)c1 117590211 JHVKAZXRIQLDGF-UHFFFAOYSA-N 392.864 3.077 0 1 GGAF Cc1ccc(CN2CCN(Cc3ccc4cc(F)ccc4n3)C[C@@H]2CCO)o1 20450949 XHBSOWIPCGRDOZ-FQEVSTJZSA-N 383.467 3.344 0 3 GGAF O=C(NCC1CCCCC1)[C@@H](NC(=O)n1nnc2ccccc21)c1ccccc1 28112565 UGCZXOFWCZIOAA-FQEVSTJZSA-N 391.475 3.427 0 1 GGAF CNC(=O)CSc1nc2ccc(NC(=O)c3ccccc3OC)cc2s1 66079530 GWKCDKYTMVNVJR-UHFFFAOYSA-N 387.486 3.395 0 1 GGAF Cn1c(O)c(C2=NN=C(O)/C2=N\Nc2ccc(Cl)cc2)c(=O)c2ccccc21 13409428 CNUVYQJIXBYZKT-UHFFFAOYSA-N 395.806 3.040 0 1 GGAF biogenic Cc1c(C(=O)N2CCc3c(ncnc3-c3ccn[nH]3)C2)cccc1C(F)(F)F 219383634 HSTYOIFAPJGPSV-UHFFFAOYSA-N 387.365 3.392 0 1 GGAF CNC(=O)c1ccc(Nc2nccc(-c3cnc(COC)n3C(C)C)n2)cc1 40379236 MQTACRYTEYGQLN-UHFFFAOYSA-N 380.452 3.171 0 1 GGAF CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC(C)C)cc2)C1 45283706 HKAAZBSIFKNCPN-MRXNPFEDSA-N 382.526 3.254 0 1 GGAF COc1cc([C@H]2Oc3c(OC)cc([C@@H](O)[C@H](C)O)cc3[C@@H]2C)cc(O)c1OC 136062591 QUBMZLUMOFMRIA-GTXVLXIYSA-N 390.432 3.069 0 1 GGAF C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C 45259255 NAUPLVVOKAWHQB-HZPDHXFCSA-N 386.879 3.480 0 1 GGAF C=Cn1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(O[C@H]3CCOC3)nc21 84729015 AKGYQVDAWZFCAX-AWEZNQCLSA-N 399.391 3.086 0 1 GGAF CCOC(=O)Cc1nn2c(COc3ccc(Cl)cc3Cl)nnc2s1 49055636 PPTLWMWXFPLEIJ-UHFFFAOYSA-N 387.248 3.177 0 1 GGAF COc1cc2nc(N3CCN(C)CC3)nc(NC3CCCCC3)c2cc1OC 82119567 VLWPAEQSRALFDE-UHFFFAOYSA-N 385.512 3.143 0 1 GGAF CCOc1cccc(-n2cc(CC(=O)NCc3ccc(F)cc3Cl)cn2)n1 95565372 AKTHMRHVFPBCLB-UHFFFAOYSA-N 388.830 3.317 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C)[C@H]1c1ccc(F)cc1 95599126 SURJSVNLERHCRZ-IBGZPJMESA-N 389.448 3.369 0 3 GGAF COC(=O)[C@@H]1C[C@@H]1c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 261142117 NGAGWVSXXQKIEL-KWCYVHTRSA-N 379.420 3.117 0 1 GGAF CN(CCCNc1ccnc2cc(Cl)ccc12)Cc1cc(=O)c(O)cn1C 299836864 IDOOIPQTVCLXSY-UHFFFAOYSA-N 386.883 3.227 0 1 GGAF COc1cncc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c12 586984315 FAUJKZYBRLJHIC-ZDUSSCGKSA-N 389.253 3.149 0 1 GGAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(N)ncnc2[nH]1)c1cccc(Cl)c1 587071961 RFBBIERHTZLQJC-LBPRGKRZSA-N 388.859 3.397 0 1 GGAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2cccnc2[nH]1)c1ccc(F)cc1 587171450 OOEHJGBZRFFGBO-KRWDZBQOSA-N 382.420 3.165 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)C(F)F)cc1)O2 587383962 XUKYJMKFXUHOFR-SFHVURJKSA-N 381.400 3.454 0 1 GGAF CNC(=O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582323 ZPQTWFXISHDXKG-REWPJTCUSA-N 389.407 3.385 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(F)ccc12 587736905 XGJIVRHCOCUDLJ-RBHXEPJQSA-N 379.204 3.457 0 1 GGAF COc1cc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2cc1OC 587203450 QHJPABLNAOVQAM-OAHLLOKOSA-N 399.403 3.022 0 1 GGAF COc1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2n1 586969093 GKWRYHKYMAWHOQ-UHFFFAOYSA-N 383.389 3.038 0 1 GGAF Cc1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2c1C 586946115 HACGJHUPLMRWIO-INIZCTEOSA-N 385.489 3.304 0 1 GGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OCCCO3 587194584 VVUNOYTUFLUREU-ZDUSSCGKSA-N 390.484 3.242 0 1 GGAF C[C@@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)N[C@H](C(=O)O)Cc1cccc(F)c12 962926587 XQZJNKSDJPBKOO-UFAGZECESA-N 378.444 3.039 0 1 GGAF CCn1cc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c(C)n1 962923800 GGUPPQRUBDMEKP-LEWJYISDSA-N 393.443 3.398 0 1 GGAF CC(C)(C)OC(=O)N1CC[C@](F)([C@]2(C)c3ccsc3CCN2C(N)=O)C1 962701299 ANRQVNZDYALFST-ZWKOTPCHSA-N 383.489 3.249 0 1 GGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccncc2)([C@H]2CCSC2)N1 963225244 CXXOKRJFYRIXQJ-LVWPNOBMSA-N 391.496 3.225 0 1 GGAF CCN(CC)c1nc(=Nc2cccc(F)c2)nc(OCC(F)(F)C(F)F)[nH]1 1772573597 XUZLSLQOIKJMKJ-UHFFFAOYSA-N 391.344 3.302 0 1 GGAF O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCc2ccccc2C1 5144239 SARNMBSCBINKFU-UHFFFAOYSA-N 393.516 3.130 0 3 GGAF CN(C)CCCOc1cc(C(=O)NCc2ccccc2)n(Cc2ccccc2)n1 13861424 BEUIOYCAEKKZGR-UHFFFAOYSA-N 392.503 3.192 0 1 GGAF CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)C(=O)C[C@@H]1N1CCN(C)CC1 169339136 KZFJNAHBFGDYJK-QPTUXGOLSA-N 394.515 3.147 0 1 GGAF COc1c(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ccnc1N(C)C 169709373 RQWJTPYGANZTSE-HNAYVOBHSA-N 398.507 3.011 0 1 GGAF CC(C)(C)c1cc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)ccc1O 1857604878 FQPMECRNRDRAPV-UHFFFAOYSA-N 375.432 3.133 0 1 GGAF COc1ccc(S(=O)(=O)Nc2cc(F)cc(C(=O)O)c2)c2ccccc12 1857655846 JYOUVEHWWPFORO-UHFFFAOYSA-N 375.377 3.487 0 1 GGAF CC1(C)OC(=O)C(Oc2ccc(F)c(F)c2)=C1c1ccc(S(C)(=O)=O)cc1 602155 OKKGDLZWFJTBDJ-UHFFFAOYSA-N 394.395 3.494 0 1 GGAF C[C@@H](Oc1ccccc1Cl)C(=O)NN1C(=O)CS[C@H]1c1ccccc1 1863276 UGFCCGKPYLFONG-XIKOKIGWSA-N 376.865 3.413 0 1 GGAF CCN1C(=O)[C@H](C(=O)Nc2ccc(OC)cc2)[C@@H]2C[C@@]1(C)Oc1ccccc12 3640392 BQEZBUXYCIGWAY-ZWCUEREDSA-N 380.444 3.395 0 1 GGAF COC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@@H]1N2C 100736970 SIIICDNNMDMWCI-LJISPDSOSA-N 385.245 3.031 0 1 GGAF CO[C@@H](C)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 28711436 WOUIMYHCKHCDBD-BBRMVZONSA-N 397.410 3.212 0 1 GGAF CCOC(=O)COc1cc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(F)cc1Cl 103208733 SFRFSTUEZLYBAH-GHMZBOCLSA-N 383.803 3.101 0 1 GGAF Cc1cc(=O)oc2c(CN3CCN(C)CC3)c(OC(=O)c3ccccc3)ccc12 29063635 RDCITGBWDAUJRP-UHFFFAOYSA-N 392.455 3.068 0 1 GGAF Cc1ccc2nc(C[C@@H]3CN(Cc4ccccn4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356319974 XFJISDHIQNIYLY-IAGOWNOFSA-N 378.476 3.422 0 1 GGAF O=C(c1cccs1)N1C[C@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccccc1 61923121 JULCNLLRACTWKU-QYZOEREBSA-N 394.500 3.406 0 3 GGAF CCCNC(=O)c1cc([C@@H]2CCCCN2C(=O)c2ccc(NC(C)=O)cc2)on1 61898634 KWWZRNACTWHSAB-SFHVURJKSA-N 398.463 3.140 0 3 GGAF O=C(c1ccc(Cl)cc1Cl)[C@](O)(Cc1ccccc1)Cn1cncn1 26011702 AFQCVQPSMMHHRB-SFHVURJKSA-N 376.243 3.442 0 1 GGAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)NCc1ccccn1 26574701 KXUMIFPZXGNNFO-KRWDZBQOSA-N 391.512 3.233 0 1 GGAF Cc1ccccc1OC[C@H](O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 27202501 UYPZYIJOCDJBFB-YQYFLZKSSA-N 385.441 3.138 0 1 GGAF Cc1cn(CCCNC(=O)c2ccc(O)c3[nH]c(-c4cccs4)nc23)cn1 73311721 LACCCLQSCUIPJP-UHFFFAOYSA-N 381.461 3.322 0 1 GGAF CCOc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@@H](C(C)C)N3)cc1 82206523 GTEUBTSXYHDRER-KRWDZBQOSA-N 386.496 3.052 0 1 GGAF CCCCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCOCC2)c1 45347541 SCWPZBKWRIIRRA-UHFFFAOYSA-N 396.553 3.479 0 1 GGAF COc1ccc([C@H]2NC(=O)N[C@H](c3ccc4c(c3)CCCC4)C2=O)cc1OC 49785371 QSNWREZNTJHSCO-WOJBJXKFSA-N 380.444 3.247 0 1 GGAF C[C@H]1Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C(=O)O)CO1 198421892 UJFUDRXBOPWUEV-VIFPVBQESA-N 376.459 3.034 0 1 GGAF CCOC(=O)N1[C@H]2CC[C@@H]1CC(N1CCC[C@@H](NC(=O)c3ccccc3C)C1)C2 84635503 AJSHPFXXSLQSKN-WRURNZQNSA-N 399.535 3.341 0 1 GGAF CC[C@H](C)O[C@H]1C[C@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40379199 WSZQVSPKYXOCEM-XEZPLFJOSA-N 380.876 3.479 0 1 GGAF CC(C)[C@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(C(C)C)c2=O)N1 82224268 JNCRTRRGVASITB-MRXNPFEDSA-N 382.464 3.399 0 1 GGAF CN1[C@H]2CC[C@H]1[C@@H]1COC(=O)CCSCCC(=O)Nc3ccc(cc3)[C@H]1C2 261135266 LXDSBNMMECZLMT-MANSERQUSA-N 388.533 3.262 0 1 GGAF Cc1cc2nc(CCNC(=O)c3ccc(-n4nccn4)cc3Cl)[nH]c2cc1C 299859069 HKETVPFJMSWELZ-UHFFFAOYSA-N 394.866 3.386 0 1 GGAF Nc1ccnc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)nc12 587169811 AUYFZZHLIGQLKA-UHFFFAOYSA-N 383.408 3.147 0 1 GGAF Cn1nc(C(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587557730 SPDWRVNNOBIZCM-DYVFJYSZSA-N 388.326 3.472 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](N)Cc1ccccc1 587868854 VEDZYHXSIUUIAM-AWEZNQCLSA-N 390.365 3.183 0 1 GGAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)C(C)C 586933434 RMONGRORYVASAO-CYBMUJFWSA-N 378.420 3.393 0 1 GGAF CCOc1ccccc1[C@](N)(c1nc2cc3c(cc2[nH]1)OCO3)C(F)(F)F 587093865 YUPKAYYEOOHFJO-KRWDZBQOSA-N 379.338 3.455 0 1 GGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN1CCOCC1 587859737 LGZABLZUQBSXOT-UHFFFAOYSA-N 384.263 3.228 0 1 GGAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(Br)c(F)c2[nH]1 586950361 VDHXNUZJZMIUHB-UHFFFAOYSA-N 398.257 3.427 0 1 GGAF CCOC(=O)c1cnn(-c2ccc([C@H]3NCCc4ccc(F)c(C)c43)cn2)c1 962148184 RJODEASLBCNJLJ-HXUWFJFHSA-N 380.423 3.127 0 1 GGAF CN1CCc2c(Br)cccc2[C@H]1c1cccc(NS(C)(=O)=O)c1 963281265 QZVUXCQRODTRCQ-QGZVFWFLSA-N 395.322 3.398 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1csc(-c3ccccc3N)n1)NCC2 962925760 QMXYWLIANIXWIN-IBGZPJMESA-N 378.501 3.329 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(CC(C)C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963639561 VPNHJZJJNFBWHM-LHSJRXKWSA-N 377.481 3.002 0 1 GGAF CC(=O)Oc1ccccc1[C@]1(c2c(F)cccc2F)c2c(cnn2C)CCN1C 963956557 YKDCYFADJZVHKM-QFIPXVFZSA-N 397.425 3.403 0 1 GGAF CSc1ncc([C@@]2(C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)[nH]1 962716027 QBZPCQZPTLLUMN-NHYWBVRUSA-N 389.374 3.152 0 1 GGAF CC(C)(C)NC(=O)N1CCn2c(Cl)c(-c3cccc(F)c3)c(C(N)=O)c2C1 1772656893 FQKAVHBAAWYCED-UHFFFAOYSA-N 392.862 3.370 0 1 GGAF COC(=O)c1ccc(CNCC[C@H]2CCC(=O)N2Cc2cccc(OC)c2)cc1 12245675 QMPOVFFQQKJLBR-HXUWFJFHSA-N 396.487 3.153 0 1 GGAF Cn1cc(CN2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)cn1 12301833 UJCFIOHQQACQSZ-MRXNPFEDSA-N 386.927 3.134 0 1 GGAF CC1=NC(=O)N[C@H](c2ccc(OCCn3ccc4cccnc43)cc2)[C@H]1C(=O)O 169720025 KSMZYXUDMFKJJQ-ZWKOTPCHSA-N 392.415 3.041 0 1 GGAF CCOC(=O)c1cc2c3n(c1=O)-c1ccccc1[C@@]31CCN3C[C@@H](CC)[C@@H]2C[C@H]31 206867232 IBDFFSJHPFBKGZ-BMZLUOIXSA-N 390.483 3.215 0 1 GGAF CC(=O)c1cc2c(c3ncccc13)NS(=O)(=O)N(C)[C@H]2c1ccc(F)cc1 201590718 KKSKBYWXXALGNB-IBGZPJMESA-N 385.420 3.268 0 1 GGAF O=C1COc2ccccc2[C@@H](c2nnnn2-c2ccc3ccccc3c2)N1C1CC1 203465663 NCSZQCQZZYSBAC-QFIPXVFZSA-N 397.438 3.288 0 3 GGAF COC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnc4ccc(C)cc34)CC2)CC1 1857570185 MFZMHUAYPHJUBK-QAQDUYKDSA-N 383.496 3.045 0 1 GGAF COc1cccnc1C1CCN(C2CC3(CCN(c4cnccn4)C3)C2)CC1 1857593439 QJQFINRCDXFYRR-UHFFFAOYSA-N 379.508 3.119 0 1 GGAF COc1cc(OC)cc(-c2nnc(SCC(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)o2)c1 4833613 JNYBWQUFLBASQM-HWWQOWPSSA-N 389.477 3.151 0 1 GGAF O[C@@H]1CC[C@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@H]1CNCc1ccccn1 2356380022 OOKCOPOYSPEXHP-SJBKTWHCSA-N 397.450 3.117 0 1 GGAF CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc21 6893058 SHMYWEZLVDOCQW-GFCCVEGCSA-N 394.493 3.151 0 3 GGAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3F)n2)[C@@H](NC2CCCCC2)C[C@H]1O 2356289784 ZEQAMAHESFGWEN-BLKABHOGSA-N 399.510 3.105 0 1 GGAF CCCCn1c(=O)c(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c(O)c2ccccc21 100759272 NTTDPWHRILLPCL-GJZGRUSLSA-N 384.476 3.289 0 1 GGAF O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccccn1 58583075 WQQZXTITKYMHIF-UHFFFAOYSA-N 379.441 3.085 0 1 GGAF Cc1cc(C)cc(NC(=O)Cc2ccc(O[C@@]3(C(=O)O)CCO[C@@H]3C)cc2)c1 27524842 MIWBKCLSAKCDEU-ZHRRBRCNSA-N 383.444 3.496 0 1 GGAF CCC(CC)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OCCO)CN(C)[C@H]1C2 29485825 ZKBHIGHGJUAMPK-PBEJRMEISA-N 384.520 3.498 0 1 GGAF COC(=O)C1=CCC[C@@](C)(O)[C@H](O)CCC(C(=O)OC)=CC=C(C(C)C)CC1 2356496473 VRJMJUCQLYGVBY-DENIHFKCSA-N 394.508 3.234 0 1 GGAF COc1cc2c(cc1OC)[C@]1(OC)C(=O)c3cc4ccoc4cc3O[C@@H]1CO2 14450982 DGLSPEHHYIIOPE-TZIWHRDSSA-N 382.368 3.328 0 1 GGAF biogenic COc1c([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc2c1OCO2 14696903 SLXJYSPIZFGDMP-QAMTZSDWSA-N 384.384 3.228 0 1 GGAF biogenic CCCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205202 RIAIWNKNBWRAOK-KRWDZBQOSA-N 384.524 3.305 0 1 GGAF Cc1csc(N2NC(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)n1 49112136 KYESWVXTUKXOKB-WZOJCFFYSA-N 387.464 3.353 0 1 GGAF O=C(Nc1ccccc1)OCCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 45191242 BILBRRWBWMFQOW-MRXNPFEDSA-N 386.429 3.208 0 1 GGAF N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 98208344 JZLUCFJMWJDRIK-UONOGXRCSA-N 389.463 3.225 0 1 GGAF in-vitro CC(C)[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(C)(=O)=O 95572544 YKKXAJDQMUZDKP-NSHDSACASA-N 378.928 3.142 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CCc5cccnc5C4)ncc23)ccn1 261164482 ROIDHARUBAPCGI-INIZCTEOSA-N 399.458 3.402 0 1 GGAF Cc1cc(C2CN(C(=O)/C=C/c3cnc4c(c3)CCC(=O)N4)C2)nc2ccccc12 299833795 WOJRDDBAKIYLRJ-RMKNXTFCSA-N 398.466 3.462 0 1 GGAF CCCOc1cc(CC(=O)OC(C)C)c(F)cc1OCC(=O)N(CC)CC 299841050 XOWUDGHITVFXTH-UHFFFAOYSA-N 383.460 3.356 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Br)n1)[C@@H](C2)C3=O 587417680 OHWYTPYDSGTPMK-MGPLVRAMSA-N 376.206 3.350 0 1 GGAF FC(F)(F)COc1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)ccn1 587092225 TUVIRLLRMLZRJH-UHFFFAOYSA-N 392.381 3.398 0 1 GGAF C[C@]1(c2nc3c(Br)ccnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172886 OPATXTYAFTWVET-MRXNPFEDSA-N 376.185 3.488 0 1 GGAF COC(=O)[C@@H]1C(=O)C[C@]2(C[C@H]1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587805582 HTNRYZCRPNZILV-DBVYIEPUSA-N 398.272 3.106 0 1 GGAF CC1(C)OC(=O)C[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 586906942 GFNNASQNSHFBLT-RXMQYKEDSA-N 391.596 3.025 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC[C@@H]4CO4)c(OC)c1)[C@@H](C2)C3=O 587456733 XUFOIONGVODHSN-WCJKSRRJSA-N 382.412 3.144 0 1 GGAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2C2(CC(n3cccn3)C2)N1 963175700 MGOBSJLXXDBRGK-YZKWQOGNSA-N 385.773 3.385 0 1 GGAF COc1cccc2cc3c(nc12)C1(CCN(Cc2cscn2)CC1)NCC3 963049594 AAQJKZYCDUBORG-UHFFFAOYSA-N 380.517 3.337 0 1 GGAF Cc1ccc(-c2nc(CN3CCC[C@H](C(=O)N4CCOCC4)C3)c(C)o2)cc1 12469595 NXTLQVDCLTXYSV-IBGZPJMESA-N 383.492 3.029 0 3 GGAF Cc1ccccc1CN1CCCC[C@H](NC(=O)c2ccc(N(C)C)cc2)C1=O 200050540 WGDSCCPFSDDKIU-NRFANRHFSA-N 379.504 3.372 0 3 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](CN)c4ccccc4)ncc23)ccn1 207098422 XNLZRLFOJHEWFI-GOSISDBHSA-N 387.447 3.150 0 1 GGAF CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c1 4049322 TWMYJPKVTQAECK-SAWYMBPVSA-N 395.503 3.243 0 1 GGAF CCO/C(O)=C1/C(C)=Nc2nc(SC)nn2[C@@H]1c1ccc(C(=O)OC)cc1 102775320 IUYNFMVCKINARD-UMWKZLPKSA-N 388.449 3.288 0 1 GGAF COc1ccc(CNc2nc(C(=O)NC(C)C)nc3c2ncn3C(C)C)cc1 28642628 OSJWZFZASPAQDA-UHFFFAOYSA-N 382.468 3.166 0 1 GGAF COc1cc2c(cc1OC)[C@](C)(CCN1CCN(c3ccccn3)CC1)OCC2 27883034 YQQVTPUYDQDZBW-QHCPKHFHSA-N 397.519 3.099 0 1 GGAF CN1C(=O)[C@H](NC(=O)c2ccsc2)N=C(c2ccccc2F)c2ccccc21 26296835 GVMDQRHNMCFHAX-IBGZPJMESA-N 393.443 3.457 0 1 GGAF O=C(NC[C@H]1CN(c2ccc(-n3cc4cccnc4c3)c(F)c2)C(=O)O1)C1CC1 40762534 RPTCDAPPYGAFDJ-INIZCTEOSA-N 394.406 3.016 0 1 GGAF COc1ccc([C@@H]2Oc3c(ccc(OC)c3OC)C[C@H]2OC(C)=O)cc1OC 14643043 RRIRLULKYVXVEX-MOPGFXCFSA-N 388.416 3.329 0 1 GGAF biogenic CC(=O)c1cccc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)[nH]c12 40916061 PRWCXQPXPBDZPN-UHFFFAOYSA-N 379.435 3.468 0 1 GGAF N=C(N)SCc1ccccc1C(=O)c1ccc(F)cc1CSC(=N)N 84671828 OXJUBBYOLNTDQU-UHFFFAOYSA-N 376.482 3.310 0 1 GGAF Oc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-n2cccn2)c2cccnc12 40845971 UJVASEBGZBXOTD-UHFFFAOYSA-N 388.362 3.301 0 1 GGAF CC(=O)O[C@H]1C[C@]23[C@H](O)O[C@@H]4OC(=O)[C@H](CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12)[C@@H]43 197361116 FRNPDMBYWIBDGT-NDZORMODSA-N 392.492 3.015 0 1 GGAF O=c1c2c([nH]n1-c1ccc(Cl)cc1)[C@H]1CN(Cc3ccncc3)CC[C@@H]1N=C2 140084114 VJCYGDVWTVTYGY-OALUTQOASA-N 393.878 3.005 0 1 GGAF Cc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(N(C)C)n1 587752739 FMNLDVZNDLYWCP-ABKXIKBNSA-N 379.277 3.376 0 1 GGAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C(=O)N(C)C)cc2[nH]1 587065280 NBTKXOWBBVNVHI-UHFFFAOYSA-N 387.823 3.318 0 1 GGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 586930633 NJULHPKMHWSKLD-UHFFFAOYSA-N 398.488 3.145 0 1 GGAF Cc1cnn(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587656780 OBURAPAGLLZDDQ-UHFFFAOYSA-N 380.354 3.187 0 1 GGAF COc1ccc(Cl)c2c1CCN[C@@]21C(C(=O)O)=CN(C)c2ccc(F)cc21 963269389 IWTWWYORTOKACV-FQEVSTJZSA-N 388.826 3.295 0 1 GGAF CCOC(=O)[C@H]1CN(CC)CC[C@]12c1ccsc1CCN2Cc1ccco1 962702541 AWEJPUWDOKUCOB-NQIIRXRSSA-N 388.533 3.500 0 1 GGAF COc1cccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(N)cc3)n2)c1 1772647439 JUSMKRLXJZILHS-UHFFFAOYSA-N 386.415 3.172 0 1 GGAF Cc1nnc(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=N)[C@@](C)(F)CC3(F)F)c2)o1 1772638273 ZXEUQJAXUTWMOI-JKSUJKDBSA-N 399.348 3.319 0 1 GGAF Nc1c(C(=O)c2cccc(-c3ccc[n+]([O-])c3)c2)cnn1-c1ccc(F)cc1F 13683065 DQRDCTDOZGNBTG-UHFFFAOYSA-N 392.365 3.264 0 1 GGAF O=C(NCC1CC1)c1csc(N2CCN(Cc3ccc(Cl)cc3)C2=O)n1 205206893 VZVFIVDFJSEZFM-UHFFFAOYSA-N 390.896 3.379 0 3 GGAF COC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 1857560540 GXIKAGMCWOUGCC-UHFFFAOYSA-N 387.867 3.291 0 1 GGAF CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)o1 1857636924 IYOMOVZEIWPYSJ-KRWDZBQOSA-N 381.432 3.141 0 1 GGAF COc1cccc(CC(=O)N2N=C(c3ccccc3C)C[C@@]2(O)C(F)(F)F)c1 1857752456 AVKINDCTBWJNJA-LJQANCHMSA-N 392.377 3.434 0 1 GGAF COC(=O)C1=CCC[C@@](C)(O)[C@@H](O)CCC(C(=O)OC)=CC=C(C(C)C)CC1 2356496474 VRJMJUCQLYGVBY-SIKLNZKXSA-N 394.508 3.234 0 1 GGAF CCc1ccc(-c2nc(C[S@](=O)CC(=O)NCc3cccnc3)c(C)o2)cc1 3060707 QSHWQFXJRWLRPX-MUUNZHRXSA-N 397.500 3.173 0 3 GGAF COc1ccc(/C=C/C2=C(C(=O)O)[C@H](c3ccc(OC)cc3)NC(=S)N2)cc1 103172269 UQSXRGKTUXAZOC-LTMNZSFGSA-N 396.468 3.275 0 1 GGAF O=c1oc2ccccc2c(O)c1C1=NN[C@@H](c2cn[nH]c2-c2ccccc2O)C1 103288278 ZYAWPNAOCUGVEP-CQSZACIVSA-N 388.383 3.033 0 1 GGAF CN1CC[C@@H](n2cc(S(=O)(=O)c3ccc(Cl)cc3)c3cccnc32)C1 28862231 NXTNPTMFPFGUNT-CQSZACIVSA-N 375.881 3.399 0 1 GGAF COc1cccc(-c2cccc(N3CCC(NC[C@@H]4CCC(=O)N4)CC3)c2)c1 23339840 PQDAFLAYXIXXKC-FQEVSTJZSA-N 379.504 3.199 0 1 GGAF O[C@@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@H]1CNCc1cccnc1 2356747300 IDVOYRWTCIABCF-VWPQPMDRSA-N 397.450 3.117 0 1 GGAF COc1cccc2c1N(C(C)=O)[C@@]13CCC[C@@]4(CC1)[C@H](OC)CCN1CC[C@@]23[C@@H]14 2356759473 SBYZZLKGHWVOBE-NZURDFQBSA-N 396.531 3.495 0 1 GGAF COc1nc(N(C)c2ccccc2)n2ncc(C=CC(=O)OC(C)(C)C)c2n1 2356852990 QVKGHNJYCZKXEH-UHFFFAOYSA-N 381.436 3.256 0 1 GGAF Oc1ccc2c3c1O[C@H]1[C@@H](O)[C@@H](c4ccccc4)C[C@@H]4[C@@H](C2)N(C2CC2)CC[C@@]341 26831768 ZQYLNQSWQIXVJA-NVSPUQMWSA-N 389.495 3.348 0 1 GGAF Cc1c(Cc2ccc(S(C)(=O)=O)cc2)c2cc(F)ccc2n1CC(=O)O 38331213 VURBJTJUNFTLRH-UHFFFAOYSA-N 375.421 3.168 0 1 GGAF C[C@@H]1NC(=O)[C@@]2(C)[C@@H](c3ccccc3)[C@H]3COc4ccc(Cl)cc4[C@@H]3N2C1=O 36388991 WNZKWXYRQWXNNJ-UDGGQOSUSA-N 396.874 3.293 0 3 GGAF O=C1OC2(CCC(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cnccc21 34775047 RVLHZDSBPUFJHK-UHFFFAOYSA-N 388.427 3.462 0 1 GGAF Cc1ccccc1C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 82196124 CVKICYRTFNTUHA-UHFFFAOYSA-N 388.427 3.029 0 1 GGAF Cc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2)oc1C 82162934 MIURQQNQSJQNPV-MRXNPFEDSA-N 377.448 3.117 0 1 GGAF COc1ccc(S(=O)(=O)n2ccc3cc[nH]/c(=N\c4ccc(O)cc4)c32)cc1 96940383 HIHKVVMDCWDQLT-UHFFFAOYSA-N 395.440 3.153 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4F)cc(O)c31)[C@H]1CC[C@@H](C2)N1 96175348 NJAUOABWSCKCKE-XHDPSFHLSA-N 386.448 3.205 0 1 GGAF COc1ccc(Nc2nc(-c3ccc4nn[nH]c4c3)cn3ccnc23)cc1OC 146293387 AMOSEBSWXWURMI-UHFFFAOYSA-N 387.403 3.428 0 1 GGAF COc1ccc(C[C@@H]2CO[C@@H](O)[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC 257708851 YSJWRVMJZYIPHE-HYFFOGBASA-N 388.460 3.087 0 1 GGAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)cc2)[C@]12C(=O)Nc1ccc(Cl)cc12 473152665 UYVHOFFHBDHGRB-LZJOCLMNSA-N 399.830 3.231 0 1 GGAF COc1cc(Nc2nc3c(N4CCCC4)ncnc3s2)cc(OC)c1OC 653829388 NICBIAZGYVMWPV-UHFFFAOYSA-N 387.465 3.456 0 1 GGAF COC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c1 587237796 XUJNPUFMEVAFGA-UHFFFAOYSA-N 389.452 3.004 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(C)cc(Br)cc21 587371193 JFCXYTAEAFSZML-GOSISDBHSA-N 387.233 3.461 0 1 GGAF CCOC(=O)C[C@@]1(CCOC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595213 KBXLAHPJJJQCFB-WIYYLYMNSA-N 386.400 3.082 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1ccc(F)cc12 587734937 SRUWRQOZHKBMQA-DYBLOJMWSA-N 393.231 3.482 0 1 GGAF NC(=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586999263 XGWRXAXUIAPDBT-DUXPYHPUSA-N 386.205 3.323 0 1 GGAF CCOc1cc(-n2c(O)cc(CSC(C)=O)c2O)c(Cl)cc1C(=O)O 587942100 VJACVLZWNKDFSL-UHFFFAOYSA-N 385.825 3.419 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cc(O)cc(Br)c1)NCC2 962931097 ZRWMPWILGVJCMD-QGZVFWFLSA-N 375.266 3.092 0 1 GGAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2sc(O)nc2Cl)N1 962697063 KMXPHTRORDJSFH-RKDXNWHRSA-N 396.749 3.348 0 1 GGAF CC[C@]1(C2(C(=O)OC)CCC2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974704 LCZGIEHYVHMLQF-XIKOKIGWSA-N 387.810 3.166 0 1 GGAF NS(=O)(=O)c1ccc(N2N=C(c3ccc(Cl)c(Cl)c3)CCC2=O)cc1 199957889 RCMFZCLVTRBJDF-UHFFFAOYSA-N 398.271 3.172 0 1 GGAF COc1cccc(CN(C)C(=O)[C@H]2CCC(=O)N(Cc3cccc(F)c3)C2)c1 11842237 JZFZJZPXBUHLJG-SFHVURJKSA-N 384.451 3.232 0 3 GGAF CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 11934544 XJDQHVLIKZOCPF-QGZVFWFLSA-N 390.480 3.194 0 3 GGAF C[C@H](NCc1ccco1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 201467577 CGQPDXVSWLSDCS-AWEZNQCLSA-N 381.398 3.125 0 3 GGAF COc1ccc(CN=c2[nH][nH]c3ccc(NC(=O)[C@H]4CCC[C@@H](N)C4)cc23)cc1 1857750180 DCYKGIAYETYOGO-JKSUJKDBSA-N 393.491 3.062 0 1 GGAF O=C(NC[C@H]1CCCO1)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl 4903182 UBBXAXBLJDJYOZ-BEFAXECRSA-N 384.863 3.332 0 1 GGAF O=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 114869380 XJNRYKKXKPGNHH-QGZVFWFLSA-N 383.402 3.241 0 1 GGAF NCCCCCCCCCCCCNc1ccn([C@@H]2CC[C@@H](CO)O2)c(=O)n1 29559632 NIVSTOPDMRKWBH-ICSRJNTNSA-N 394.560 3.185 0 1 GGAF COc1cccc2nc(C[C@@H]3CN(Cc4ccccn4)CC[C@H]3CC(=O)O)[nH]c12 2356302651 KQVCQWMUIAIDOK-JKSUJKDBSA-N 394.475 3.122 0 1 GGAF COc1ccc(C(=O)N2C[C@H]3CN(c4cnc5ccccc5n4)C[C@@H]3C2)c(C)c1 116827986 AYWXVJSPULPEEJ-IAGOWNOFSA-N 388.471 3.155 0 1 GGAF COc1cc2oc(-c3ccc4c(c3)OCO4)c(OC)c(=O)c2c(OC)c1OC 1647151 ATKXYPOHHYVHEQ-UHFFFAOYSA-N 386.356 3.223 0 1 GGAF biogenic O=C1OC2(CCC(C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cnccc21 45350570 DIGHAXYCBIMWHE-UHFFFAOYSA-N 388.427 3.462 0 1 GGAF COc1cc(-c2cnn(CCO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144856980 LLIYWRCXNPXJMM-LJQANCHMSA-N 390.361 3.330 0 1 GGAF CC(C)COc1cnc(C(=O)Nc2cccc([C@]3(C)CCSC(N)=N3)c2)cn1 146037366 RBZOOOXHHFZGKS-FQEVSTJZSA-N 399.520 3.431 0 1 GGAF COc1ccc(-c2cc3ncccc3c(OCC[C@H]3CNC(=O)C3)n2)cc1OC 141928207 VPVGELGUYJYJSZ-CQSZACIVSA-N 393.443 3.219 0 1 GGAF COc1ccc([C@@H]2OC(=O)C[C@@H]2C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1OC 254044068 BICWFCHKXAYWKE-HGSHMYCCSA-N 375.465 3.249 0 3 GGAF CCOC(=O)C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346509 JEJIWHBIMUCQCB-RXVVDRJESA-N 386.375 3.171 0 1 GGAF COc1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2n1 586999747 HOXMNAZKCJCJGL-UHFFFAOYSA-N 388.177 3.208 0 1 GGAF O=C1CSC[C@@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)N1 587042833 HNTUQDGXYTWRDX-QMMMGPOBSA-N 380.189 3.248 0 1 GGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OCCCO3 587194583 VVUNOYTUFLUREU-CYBMUJFWSA-N 390.484 3.242 0 1 GGAF CN(C)C(=O)c1ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2c1 587060406 FBNTXKFNJHKFDM-UHFFFAOYSA-N 392.850 3.455 0 1 GGAF CC(C)(C)OC(=O)N(Cc1nc2cc3c(cc2[nH]1)OCCO3)C[C@H]1CCCO1 587196806 CAMPFOHBWLZADM-CYBMUJFWSA-N 389.452 3.250 0 1 GGAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3c[nH]nc3C(F)(F)F)N12 962658885 DYQMQIPFZAGXBX-RDTXWAMCSA-N 390.365 3.165 0 1 GGAF COc1ccc(C(F)(F)F)cc1[C@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963511044 RZWRUBVGFYMDSU-SUMWQHHRSA-N 381.350 3.416 0 1 GGAF COc1ccc(C(C)(C)NC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)cc1OC 12056426 BOVISZORENCHOV-HNNXBMFYSA-N 388.508 3.236 0 3 GGAF C=CS(=O)(=O)N(C)c1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1 1857768833 RCPFXJSYEQFUSS-UHFFFAOYSA-N 383.473 3.460 0 1 GGAF Cc1ccccc1N1C(=S)N[C@H]2c3ccccc3O[C@]1(C)[C@@H]2C(=O)N(C)C 4598600 WNRLPWIGXSHMCP-BBTUJRGHSA-N 381.501 3.244 0 1 GGAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@H]1[C@@]23CCC[C@@]1(C)[C@@H](O)OC3 2356441919 IULNRTXGLGQYFK-NFNIBESKSA-N 376.449 3.209 0 1 GGAF O=c1[nH]c2cccc(Cl)c2n1C1CCN(C[C@@H]2COc3ccccc3O2)CC1 27887769 JIFBOMGDOOZQKV-OAHLLOKOSA-N 399.878 3.460 0 1 GGAF Cc1ccc(S(=O)(=O)Nc2ccnc(C(=O)NCc3ccc(F)cc3)c2)cc1 20532775 DCTONFOIZFAWKI-UHFFFAOYSA-N 399.447 3.260 0 1 GGAF CCN(CC)CC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 73240360 ZRULQYQOFNOCQL-UHFFFAOYSA-N 389.455 3.218 0 1 GGAF C[C@@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 82207208 DUJLCFGHYXWCHO-SNVBAGLBSA-N 395.290 3.001 0 1 GGAF O=C(O)c1cn(Cc2ccc(-c3ccc(F)nc3)cn2)c2c(F)cccc2c1=O 45337505 FYTANGSPMBZCPK-UHFFFAOYSA-N 393.349 3.483 0 1 GGAF COc1cc2c(c(OC)c1)CN1CCc3cc(OC)c(OC)c(OC)c3[C@@H]1C2 84689818 OWQWXZCNCVEPNZ-KRWDZBQOSA-N 385.460 3.385 0 1 GGAF CCOc1cccc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)c1 149409030 NKMRFFYBJGWRSX-QHCPKHFHSA-N 394.471 3.480 0 1 GGAF CCc1ccc(C(F)(F)F)cc1-c1[nH]c(-c2ccnc(N)n2)cc1C(N)=O 142766769 DBTPIYXNTFESLE-UHFFFAOYSA-N 375.354 3.401 0 1 GGAF CCOc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12 653802026 IXOYUGLITMOWAV-UHFFFAOYSA-N 391.406 3.228 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1 587088422 NITVVRLNTSOFBP-GFCCVEGCSA-N 398.479 3.343 0 1 GGAF CCC(=O)[C@@H]1C(=O)OC(C)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587834722 SCAXRFDLBBLFPK-UMKOJWQKSA-N 396.256 3.374 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)oc3nc(Br)nn13)O2 587374317 WEUCYWAUPCKXNL-MRXNPFEDSA-N 391.225 3.164 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc(F)cc1 587569279 HIPWAKGLVPXQDZ-UWJYYQICSA-N 380.327 3.473 0 1 GGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(F)c(F)cc2[nH]1 586964570 HHAORVSAYZEQCC-UHFFFAOYSA-N 389.435 3.298 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3n2C=CCC3=O)N1 587775585 SCBUHILPDVIDTJ-ABKXIKBNSA-N 376.229 3.465 0 1 GGAF CCOC(=O)[C@@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587773067 HUNDAHPSYXEDNU-ZMZPIMSZSA-N 393.256 3.324 0 1 GGAF Cc1cn(C2CN(CCc3cccc(Oc4ccccc4)c3)C2)c(=O)nc1O 1772632145 QEYKPDZNOHETNB-UHFFFAOYSA-N 377.444 3.149 0 1 GGAF COc1cccc(CO)c1-c1cc(F)cc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772618912 MZVXPDLNWZZEDL-INIZCTEOSA-N 386.379 3.292 0 1 GGAF O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@H](NC[C@H]1CCCO1)CC3 1772590621 PPVKCYNGBYJSIK-IAGOWNOFSA-N 395.528 3.132 0 1 GGAF O=C(O)CCn1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21 13737504 OEBQLSKYDNNLHG-JXFKEZNVSA-N 381.457 3.098 0 1 GGAF CC[C@@H]1CN(c2cccc(Cl)c2)CCN1CCCn1nc2ccccn2c1=O 13782783 NXKQJTIEWHWYMT-GOSISDBHSA-N 399.926 3.140 0 1 GGAF O=C(NCc1cccs1)c1csc(CCNCc2nc3ccccc3[nH]2)n1 1857556748 SBDWEFWBEATLNK-UHFFFAOYSA-N 397.529 3.343 0 1 GGAF COc1cc([C@H]2C(=O)NC(=O)N2c2cnc3ccccc3c2)cc(OC)c1OC 1857640226 HLOYZGBVGJZHSE-SFHVURJKSA-N 393.399 3.058 0 1 GGAF COc1cc([C@H]2C(=O)NC(=O)N2c2ccc3ncccc3c2)cc(OC)c1OC 1857755598 KBYQWGYESXJUEV-SFHVURJKSA-N 393.399 3.058 0 1 GGAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc2ccccc2c1 33820090 AEMGJWOSCUGJNT-QGZVFWFLSA-N 386.451 3.396 0 1 GGAF CCOC(=O)c1c(NC(=O)Nc2ccccc2)c(C(N)=O)c2n1CCCCC2 1859887 BJYOMSNPQNARNL-UHFFFAOYSA-N 384.436 3.134 0 1 GGAF O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl 4055215 RCDATHGWQHAJLH-WBVHZDCISA-N 397.233 3.333 0 1 GGAF CCN(CC)Cc1cccc(C(=O)OCN2c3cc(Cl)ccc3O[C@@H]2O)c1 26567322 VDXVADPWJFHRAK-FQEVSTJZSA-N 390.867 3.471 0 1 GGAF CCOC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C 28257781 VOUOGJPPHPSUFT-ZJIFWQFVSA-N 399.272 3.421 0 1 GGAF Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)nc1 64549186 ADTOIYBBMIPOON-UHFFFAOYSA-N 381.455 3.000 0 1 GGAF Fc1ccc2nc(CO[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]3F)[nH]c2c1 2356698428 VQSHQACHEFSSJN-IFXJQAMLSA-N 387.386 3.170 0 1 GGAF CC(C)(NC(=O)/C=C/c1ccc(O)cc1)C(=O)NCCc1c[nH]c2ccccc12 28709807 TXILOVGTDLDQDB-FMIVXFBMSA-N 391.471 3.140 0 1 GGAF CC(C)OC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2 36270623 QWDITFKPXOAYGE-WCVJEAGWSA-N 399.272 3.467 0 1 GGAF O=C([C@@H]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1)N1C[C@H]2COC[C@H]2C1 1911583057 MYFCONVOQBKWQJ-UPJWGTAASA-N 388.817 3.290 0 1 GGAF O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 35594035 KYXRBPDALPQMJO-KRWDZBQOSA-N 396.472 3.401 0 1 GGAF COc1ccc2c(c1)NC(=O)Cc1cnc(Nc3ccc(OC)c(O)c3)nc1-2 45365541 YTJXTZVLUBWOAJ-UHFFFAOYSA-N 378.388 3.105 0 1 GGAF Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(C2(C)CC2)n1 43206648 XXOWXPDAXYCGMQ-NSHDSACASA-N 391.522 3.108 0 1 GGAF CC(=O)N1CCC(c2cccnc2OC2CCN(c3ccccn3)CC2)CC1 96169039 HIUBRIPXPAWVCF-UHFFFAOYSA-N 380.492 3.250 0 1 GGAF CCOC(=O)C1=C(C)/C(=C2/CSC(Nc3ccccc3OC)=NN2)N=C1C 96129935 ABNSHWSBPNMJDT-SAPNQHFASA-N 386.477 3.280 0 3 GGAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cccc(C(=O)O)c3[nH]2)cc1 587245746 ZAJJMUWCBRLBCW-UHFFFAOYSA-N 376.372 3.401 0 1 GGAF COc1ccc(-c2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)no2)cc1 587651647 BZXPJAKFXAWBCM-UHFFFAOYSA-N 381.775 3.402 0 1 GGAF COc1cc(OC)c2[nH]c(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)nc2c1 587220204 FJYXACGZHGDYGM-UHFFFAOYSA-N 399.447 3.159 0 1 GGAF COc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccn1 587660681 RDRBPJHXAYDVPR-UHFFFAOYSA-N 375.359 3.295 0 1 GGAF COc1ccc([C@@]2(CO)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587806689 IKAFDANOCVJREP-ADLMAVQZSA-N 380.257 3.367 0 1 GGAF COc1cc2c3c(c1)O[C@@](Cc1csc(=N)[nH]1)(c1ccccc1)[C@@H](C2)C3=O 587449816 HMRVCRAIECPHPA-KKSFZXQISA-N 378.453 3.450 0 1 GGAF Nc1c(F)c(F)cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1F 587136437 GSMUIENAGZNCMS-UHFFFAOYSA-N 386.337 3.289 0 1 GGAF Cc1nn(CCC(=O)N2CCOCC2)c(C)c1-c1cc2c3c(cccc3n1)CC2 587211111 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1 GGAF CCCS(=O)(=O)N1CC(c2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N)CC3)C1 88261137 IANRWCRHABAVHX-PKTZIBPZSA-N 398.572 3.425 0 1 GGAF CCC[C@@H](Sc1nc2ccc(OCC)cc2s1)C(=O)NS(C)(=O)=O 95574827 WVBNWMVLFVQWGO-GFCCVEGCSA-N 388.536 3.032 0 1 GGAF O=C1N(Cc2ccc(F)cc2)c2cccn2S(=O)(=O)N1Cc1ccccc1 96938788 ODRKENUGQOYDDB-UHFFFAOYSA-N 385.420 3.363 0 1 GGAF Cc1nc(C2CCCC2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC2CCOCC2)n1 39960775 QSFXAQOYCNIYAD-TYPHKJRUSA-N 384.568 3.389 0 1 GGAF biogenic C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2nc(Br)nc2O1 653743808 ZOBBHHBKRYQHNE-GFCCVEGCSA-N 394.147 3.169 0 1 GGAF Cc1cnc(Cl)c2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc12 586920559 MQYJLLMJMLKXNJ-UHFFFAOYSA-N 375.881 3.425 0 1 GGAF N[C@@H](Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)c1ccc(Br)cc1F 587145276 VOEMEJGSLQJCHV-LRDDRELGSA-N 392.232 3.431 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@]2(Cl)CCOC2=O)N1 587695312 RGOSDEVJPRROOD-YIUPMNOESA-N 376.653 3.262 0 1 GGAF CCOC(=O)CC[C@]1(c2ccccc2C)NCCc2ccc(C(=O)N(C)C)cc21 962924513 KLJXPJYICDEEFU-XMMPIXPASA-N 394.515 3.429 0 1 GGAF COC(=O)CCn1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21 13737493 OSAORANEDDGJPR-LAUBAEHRSA-N 395.484 3.186 0 1 GGAF COc1cc2c(c(OC)c1OC)-c1ccc(F)c(=O)cc1[C@@H](NC(C)=O)CC2 13826193 BQMJRLJOBGWSLN-INIZCTEOSA-N 387.407 3.002 0 1 GGAF Clc1ccccc1C1=NCc2nnc(N3CCOCC3)n2-c2ccccc21 169316147 DFSCPMICOHAISK-UHFFFAOYSA-N 379.851 3.108 0 1 GGAF Cc1ncc(F)cc1[C@@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC3)c2n1 169704253 PKQNMQSZDCVFLD-SFHVURJKSA-N 394.454 3.196 0 1 GGAF COc1ccc(CN2CC(=O)N(c3ccc(OC)c(Cl)c3)C2=S)cc1 1857640543 OMXXCWATRZEUFL-UHFFFAOYSA-N 376.865 3.491 0 1 GGAF CS/C=C/C(=O)O[C@H]1Cc2c(cc3oc(C)cc(=O)c3c2O)OC1(C)C 1868903 SPAMVRJQZFCUHE-NFAHFFEMSA-N 376.430 3.309 0 1 GGAF CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C)cc(C)c1 13736199 MPQNAZQWGVSYGU-FQEVSTJZSA-N 379.460 3.368 0 1 GGAF O=C(O)C[C@H]1CC(CNC(=O)CCNc2ccccn2)=CCc2ccccc21 13819492 QTQQUVKCPJYESZ-GOSISDBHSA-N 379.460 3.131 0 1 GGAF Cc1sc(CN2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 28825974 GCHQTUDZKHWCSU-UHFFFAOYSA-N 387.593 3.408 0 1 GGAF CC(C)(C)NC[C@H](O)COc1ccc(OCCOCCc2ccccc2)cc1 29322003 FFIRVVRXUZGYSC-FQEVSTJZSA-N 387.520 3.453 0 1 GGAF Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)NCc3ccco3)C(C)C)co2)cc1 82069976 MUTGJAJZWOTHJZ-GOSISDBHSA-N 381.432 3.314 0 1 GGAF O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccccc2F)cs1 82193434 QXGYUKGFHRBQRV-GUYCJALGSA-N 375.469 3.213 0 1 GGAF CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CN(CC)C(=O)c1cccc(F)c1 95895980 IEPBIIJIEGXQRE-KCZVDYSFSA-N 398.478 3.053 0 1 GGAF C[C@]1(c2ccccc2)CC(=O)N(CN2CCN(c3ccccc3Cl)CC2)C1=O 96921992 BIKBMNJZDWQLPC-JOCHJYFZSA-N 397.906 3.136 0 1 GGAF O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1CCCn1ccnc1 98083434 BOLQPYGCQPHKNZ-UJKMTWAASA-N 383.451 3.165 0 1 GGAF O=C1NC[C@@H](c2ccc(N3CCOCC3)c(Cl)c2)N1c1ccc2[nH]cnc2c1 116194613 UXEYFDDPDOUKPX-IBGZPJMESA-N 397.866 3.324 0 1 GGAF CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCNC4)s2)cc1Cl 118090437 JLPBKBDBHSMNLD-UHFFFAOYSA-N 375.885 3.477 0 1 GGAF Fc1cccc(F)c1-c1ccc2cnc(Nc3cnccc3OC3CNC3)n2n1 144127900 GPAPAMNDJCEOJQ-UHFFFAOYSA-N 394.385 3.164 0 1 GGAF C[C@H](C(=O)Nc1cc(Cl)ccn1)N(c1ccccc1Cl)S(C)(=O)=O 169341656 QDHRWZCSOMUESB-SNVBAGLBSA-N 388.276 3.182 0 1 GGAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1ccsc1 169351539 CADIKDVENIYPIY-ANQRGLQTSA-N 376.474 3.332 0 1 GGAF O=C1C[C@H](C(=O)Nc2cc(-c3cccc(C4CC4)c3)n(-c3ccccc3)n2)CN1 169707033 OLYSFCKQACLZBZ-SFHVURJKSA-N 386.455 3.491 0 1 GGAF Brc1c[nH]c2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)nc-2n1 587043049 XKFSDSRRKYIUQR-PWSUYJOCSA-N 376.283 3.013 0 1 GGAF CCOc1n[nH]c(-c2nc3cc(I)cnc3[nH]2)c1Cl 587064635 DXQQQPLOIPAHJO-UHFFFAOYSA-N 389.584 3.005 0 1 GGAF O=C(NCc1nc2cc(C(=O)O)c(F)cc2[nH]1)c1cccc(C(F)(F)F)c1 587111131 JIQSZMVIYOLSNQ-UHFFFAOYSA-N 381.285 3.349 0 1 GGAF COC(=O)c1cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cn1 587222987 MZMGFLVAHYXQCU-LJQANCHMSA-N 386.411 3.264 0 1 GGAF N=c1ccc(Cc2nc3c(Br)ccc(Br)c3[nH]2)c[nH]1 587253823 RBHGZKLNXUXZHO-UHFFFAOYSA-N 382.059 3.486 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cncc2c1NCCO2 587597137 SLFFAEPNBXAZLP-UTKZUKDTSA-N 376.368 3.294 0 1 GGAF O=C(O)C[C@H]1COc2cc(OCc3cn(-c4ccc(Cl)cc4)nn3)ccc21 1857534223 RXSVGUYXVUGACE-LBPRGKRZSA-N 385.807 3.450 0 1 GGAF Cc1cccc(C(=O)NCc2ccc(CNS(=O)(=O)c3ccccc3)cc2)c1 1857631416 BIAFHYGUMHBWHO-UHFFFAOYSA-N 394.496 3.404 0 1 GGAF Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1cc(COc2cncc(Cl)c2)on1 11999673 GWLNJLHUQXBZDB-JTQLQIEISA-N 389.843 3.143 0 3 GGAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4295942 ZNFHIAXORATXBB-IRWQIABSSA-N 390.842 3.458 0 1 GGAF Cc1ccc(S(=O)(=O)N=[S@@](C)(=O)Cc2sc(Cl)nc2C)cc1 103173712 UKQBWJUNPWKPRP-NRFANRHFSA-N 378.928 3.400 0 1 GGAF CCC(CC)n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)OCCO)CN(C)[C@H]1C2 58512778 ZKBHIGHGJUAMPK-LRQRDZAKSA-N 384.520 3.498 0 1 GGAF CCO/C(O)=C1\C(C)=NC(=S)N(C(C)=O)[C@@H]1c1ccc(OC)c(OC)c1 101718118 UDSJQNKIATZWQG-IBOXJLQUSA-N 378.450 3.159 0 1 GGAF OCC[C@H]1CN(Cc2cccn2-c2nccs2)CCN1CCc1ccccc1 22910530 NZHVLQJHYCTKDQ-FQEVSTJZSA-N 396.560 3.045 0 3 GGAF COc1ccccc1N1CCN(CCCNC(=O)C2C[C@H]3CCC[C@@H]3C2)CC1 28259949 NAXZMTDAZILOQB-RTBURBONSA-N 385.552 3.150 0 1 GGAF COc1cc([C@@H]2OC[C@@H]3[C@H](c4cc(O)c(OC)c(OC)c4)OC[C@H]23)ccc1O 2356681947 BRFWDNNUNKTTCA-FEBSWUBLSA-N 388.416 3.199 0 1 GGAF NC(=O)c1ccc(Cc2nc3c4c(ccc3c(C(=O)O)c2O)CCCC4)cc1 28603982 MQNSCHMWRBRPBH-UHFFFAOYSA-N 376.412 3.207 0 1 GGAF CC(C)c1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 64513138 WUUDGCDESQAUGH-UHFFFAOYSA-N 391.880 3.343 0 1 GGAF CCCCOc1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 72107822 JQYDHSRBELYKCO-UHFFFAOYSA-N 390.461 3.163 0 1 GGAF COc1cc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)ccn1 30447631 JRPAYOUIJBFNHV-UHFFFAOYSA-N 375.475 3.277 0 1 GGAF COC(=O)c1cccc(Nc2cc(C)n(-c3cccc(C(=O)OC)c3)c(=O)c2)c1 199265032 KKWDQBFCHZMKHG-UHFFFAOYSA-N 392.411 3.463 0 3 GGAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(Cc4ccc(C)cc4)C[C@H]23)cc1 95795659 BTBGJPBJMAHVIJ-RBUMGUOVSA-N 376.500 3.199 0 1 GGAF Brc1cc2nc(C[C@@H]3COCCO3)[nH]c2cc1Br 586910590 RIBHIAUDTIIVMR-SSDOTTSWSA-N 376.048 3.046 0 1 GGAF CC(=O)c1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C 587763573 KFXIMCQTBQBSRD-VVVCHXIZSA-N 380.261 3.322 0 1 GGAF COC(=O)[C@]1(CC(=O)C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803748 BWZTVVLUMUKEIC-DYZYQPBXSA-N 386.261 3.106 0 1 GGAF O=S(=O)(/C=C/c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccccc1 586924005 DKICSQCUWJYTSM-VOTSOKGWSA-N 388.758 3.421 0 1 GGAF Cc1c(O)ccc2c1[C@@H](c1cncc3nc(C(C)(C)C)oc13)N[C@H](C(=O)O)C2 963492687 SRGDOTXTILMJTA-SUMWQHHRSA-N 381.432 3.223 0 1 GGAF COC(=O)C[C@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1ccccc1 1772575966 JILSPXHZRNLZHV-SFHVURJKSA-N 379.416 3.120 0 1 GGAF COc1cc2nc3c(c(N)c2cc1OC)CCC[C@H](CNC(=O)c1ccco1)C3 13528634 IQHGWJHATVPELH-ZDUSSCGKSA-N 395.459 3.352 0 1 GGAF COC1(c2cc(F)cc(OCc3ccc4c(c3)ncc(=O)n4C)c2)CCOCC1 13725506 OQGCOMYJISBYJT-UHFFFAOYSA-N 398.434 3.304 0 1 GGAF N#C[C@@H]1CCOC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)c(Cl)c2)n1 204977246 JIDPOMLEFGYTEC-LKFCYVNXSA-N 380.235 3.134 0 1 GGAF C[C@](CCCCC(=O)O)(NCc1cccs1)c1nnnn1Cc1ccccc1 205857337 KUSSPHPAIXICBD-HXUWFJFHSA-N 399.520 3.433 0 3 GGAF COc1cc(CCn2cnc3ccc(-c4noc(C)n4)cc3c2=O)cc(OC)c1 1857560274 CFYQUNMEOFHCAK-UHFFFAOYSA-N 392.415 3.015 0 1 GGAF Cc1cccc(CC(=O)N2CCc3cc(-c4nn(C)c5ncnc(N)c45)ccc32)c1 114737160 YBYFZQXTSQRQSG-UHFFFAOYSA-N 398.470 3.053 0 1 GGAF CC[C@H](O)CC[C@H](C[C@H](CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O 2356355144 CBTSLSLFSWDSKP-GBESFXJTSA-N 396.480 3.138 0 1 GGAF CCCSc1nc(NC)ccc1C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 101550203 RVUNIPZUTBSHTG-VHCXDXQZSA-N 375.538 3.295 0 1 GGAF O=C1NC[C@@H](CC2CCCCC2)C(O)=C1C(=O)Nc1ccc(-n2ccnc2)cc1 100076023 AJDIONUYJCATIG-MRXNPFEDSA-N 394.475 3.339 0 1 GGAF COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccncc2)c1OC 101444656 YQAAQEWGUXUHKQ-QZTJIDSGSA-N 381.476 3.024 0 1 GGAF O=C(OCCCc1cccnc1)[C@H]1CCCN1C(=S)NC1CCCCC1 27559248 SZBXUAFITADSQQ-GOSISDBHSA-N 375.538 3.229 0 1 GGAF C[C@H](NS(=O)(=O)c1ccccc1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356737184 AENNITGIPFDIGO-NSHDSACASA-N 390.392 3.218 0 1 GGAF O=c1[nH]nc(-c2ccnc(N[C@@H]3CCCOC3)c2)n1-c1ccc2ccccc2c1 66252769 WTYOGZPSBLDMQY-GOSISDBHSA-N 387.443 3.367 0 1 GGAF CC(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72141531 GLNXVPBVHWXUSO-GOSISDBHSA-N 378.398 3.185 0 1 GGAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@H]2C(=O)OCc1ccccc1 36177032 CODRVQGKDHKTDZ-ANULTFPQSA-N 379.456 3.438 0 1 GGAF COc1cccc(CNc2nc(NC[C@H](C)O)c3cc(OC)c(OC)cc3n2)c1 82129238 YGTFSVFEKHHGRQ-ZDUSSCGKSA-N 398.463 3.060 0 1 GGAF COCCC(=O)NC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 146878640 HCKWYBAGKPQBDA-UHFFFAOYSA-N 388.899 3.227 0 1 GGAF CCN(CC)C[C@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F 142884915 VAWWFWWPRMCDFX-JTQLQIEISA-N 388.365 3.355 0 1 GGAF NS(=O)(=O)c1c(F)c(F)c(NC23CC4CC(CC(C4)C2)C3)c(F)c1F 95587760 JWHCFABOVLDALW-UHFFFAOYSA-N 378.391 3.271 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(C)C)n3)C2)cc1 261185757 XJNPMXLINRLDAU-OXJNMPFZSA-N 398.507 3.366 0 1 GGAF O=C(N[C@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)C(=O)O)OCc1ccccc1 587204255 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CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)ncc2[nH]1 587193832 HBSVWQPLUJECTN-SNVBAGLBSA-N 387.406 3.494 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N(C[C@H]3CCCO3)C(=O)C1)CC2=O 587474658 GZLFWGYABZBYTF-QRQCRPRQSA-N 385.460 3.364 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)nnn3C)N1 587757708 HNMNTMGWJIZLSS-XLFHBGCDSA-N 375.245 3.494 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@H](c3ccncc3NC(=O)C(C)(C)C)c3cccc1c32 963035499 RWDROJPCGWDKOR-ZUOKHONESA-N 378.476 3.209 0 1 GGAF CC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)c3)nn2CC2CC2)C1 1772614784 OMECDPIDDYPFQD-UHFFFAOYSA-N 390.491 3.342 0 1 GGAF Cc1cccc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)n1 1772615678 RFTRVJQBICTJJU-MRXNPFEDSA-N 390.491 3.167 0 1 GGAF CNC(=O)c1cncc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)c1 204752929 IXFGPIBQUFVMNS-UHFFFAOYSA-N 376.420 3.460 0 1 GGAF CC(C)OCCCNC(=O)CN1C(=O)c2ccccc2Sc2ncccc21 6797034 YRPJBVDKXZPMIQ-UHFFFAOYSA-N 385.489 3.124 0 1 GGAF COc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)C2=O)cc1 7238901 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GAYYMWMYBWMGND-REWPJTCUSA-N 389.407 3.385 0 1 GGAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)NCC(F)(F)F 587657874 CTENOASSVOXLFC-UHFFFAOYSA-N 381.354 3.488 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)(C(F)(F)C(=O)O)N1 587708693 ZDUIRZQRYJCTMS-WJWGPLDTSA-N 378.188 3.448 0 1 GGAF CC(C)Cc1cc([C@@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)n[nH]1 962644013 SXAVHBZECSXVTF-HZPDHXFCSA-N 383.370 3.195 0 1 GGAF CC(=O)C[C@]1(c2ccncc2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962713184 TXOPNMSSHVSQPR-SJLPKXTDSA-N 396.340 3.061 0 1 GGAF C=C1NC(=O)NC=C1[C@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951932 JJSQFQJCHUKRHO-GOSISDBHSA-N 393.409 3.282 0 1 GGAF CC1(C)O[C@@]2([C@@H]3CCC[C@@H](CC4=CN[C](N)C=C4)C3)CC[C@H]1[C@](N)(CCO)C2 2356816047 XNNHYAGAUNVFAL-WYULLRTRSA-N 388.576 3.102 0 1 GGAF COc1cccc(CN2C[C@@H](C(=O)NCCc3ccc(C)s3)CCC2=O)c1 12764105 DKVDHAUBSIFQNJ-KRWDZBQOSA-N 386.517 3.163 0 3 GGAF CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC[C@](C)(C(=O)CO)C=C3CC[C@@H]2C(C)(C)[C@@H]1O 2356403021 XJODMDZLXVNEOR-FMHMKIQXSA-N 378.509 3.029 0 1 GGAF OC[C@@H]1[C@H](O)C[C@H](NCC2CCCCC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356331355 XAZSCJUVKJPZNA-WZYRSQIMSA-N 395.547 3.214 0 1 GGAF COc1cc2c(cc1OC)[C@H](C(=O)O)[C@H](c1cn(C)c3ccccc13)N(C)C2=O 8659921 GNMFGIQXFQNRBA-PMACEKPBSA-N 394.427 3.191 0 1 GGAF O=C(NC1CCCCC1)c1c(O)c2cccnc2n(Cc2ccc(F)cc2)c1=O 102971977 FCONWDHEBLKQPT-UHFFFAOYSA-N 395.434 3.352 0 1 GGAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(C(N)=O)cc(C(N)=O)c21 28571095 MHJZXDDQSMFDMW-ZBEGNZNMSA-N 392.286 3.377 0 1 GGAF COc1ccc(CCNc2cc(-c3ccc(F)c(CN)c3)nc(OC)n2)cc1 66112122 HAPGMWPOTFYQBK-UHFFFAOYSA-N 382.439 3.413 0 1 GGAF Cc1nc2ccccc2c(-c2ccccc2)c1OC[C@H](O)C[C@@H](O)CC(=O)O 26744850 IAIQZRIQFGXCEB-IAGOWNOFSA-N 381.428 3.176 0 1 GGAF NC1=N[C@@H](c2ccccc2)NC(NCCCOc2ccc(Cl)c(Cl)c2)=N1 71281054 WARBEJVXWNKNHN-MRXNPFEDSA-N 392.290 3.325 0 1 GGAF Cc1cc(=O)[nH]cc1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1 71295447 QESCVXMWLWNAAE-ZSEKCTLFSA-N 380.398 3.039 0 1 GGAF CC(C)[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(=O)O 40956310 LWXQAQCBSRALPS-GOSISDBHSA-N 379.416 3.259 0 1 GGAF C[C@@H](Oc1nnc(-c2cnnc(O)c2)n1C)c1cc(-c2cccc(Cl)c2)on1 43194669 IWNKYSQGZHRHNW-SNVBAGLBSA-N 398.810 3.426 0 1 GGAF COc1cnccc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1 96168792 FESWXUJWMRUANY-UHFFFAOYSA-N 385.427 3.363 0 1 GGAF Cc1ccc(NC(=O)COc2cccc([C@@]3(C)CCSC(N)=N3)c2)cc1O 96174322 BQIRXEYCAIXNTB-HXUWFJFHSA-N 385.489 3.385 0 1 GGAF CCN(CCO)C(=O)c1cc2cccnc2n1-c1cccc(C(F)(F)F)c1 95552871 OIVMROXJJVTNKU-UHFFFAOYSA-N 377.366 3.499 0 1 GGAF O=C(NC1CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cccnc2)ccc1=O 25408269 CPLDSTDECCQWPI-AEFFLSMTSA-N 392.503 3.372 0 1 GGAF biogenic CCCOc1ccnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 261139840 MVVAOGZGSODJQN-HNAYVOBHSA-N 384.480 3.120 0 1 GGAF C[C@@H]1CN(c2ccc(F)cn2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 473081822 FGVQJXXTURXJIB-LLVKDONJSA-N 387.802 3.266 0 1 GGAF CCOc1ccccc1[C@@](N)(c1nc2cccc(C(=O)O)c2[nH]1)C(F)(F)F 587091488 DSSSOYPVRGKHHB-QGZVFWFLSA-N 379.338 3.424 0 1 GGAF COC(=O)c1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cn1 587019125 HMYYKFMFEKUZKO-UHFFFAOYSA-N 399.457 3.106 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587173755 ISDUKVOHTDRQBW-GOSISDBHSA-N 389.452 3.457 0 1 GGAF COc1cc(/C=C/c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)ccc1Br 586978074 WKVBZMALUQQWRG-HWKANZROSA-N 380.633 3.312 0 1 GGAF CCOC(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597988 SUEYDZLTNFRNIX-VQPHJOTRSA-N 380.396 3.312 0 1 GGAF Oc1nc(NCc2ccccc2)c2nc([C@@H]3COc4ccccc4O3)nc-2[nH]1 586918687 QTRPPNQAUXZBMQ-HNNXBMFYSA-N 375.388 3.135 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\NC(=O)CS2)(C2CC2)N1 587859066 VGUPXXMJHPXRET-HDZJLYQYSA-N 397.313 3.432 0 1 GGAF COc1cc(Br)c([C@@H](N)c2nc3c(Cl)ccnc3[nH]2)cc1OC 586974938 HGMWBXBIUDJSTJ-GFCCVEGCSA-N 397.660 3.439 0 1 GGAF CC(C)(C)OC(=O)N1CC[C@@](F)([C@@]2(C)c3ccsc3CCN2C(N)=O)C1 962701292 ANRQVNZDYALFST-MSOLQXFVSA-N 383.489 3.249 0 1 GGAF CC(C)(C)NC[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](N)Cc1ccccc1 1772583861 PWNVMZDSVKZPKA-MFKCLSPESA-N 387.612 3.186 0 1 GGAF COc1ccc(C[C@@]2(CCC(=O)NCc3ccsc3)CCC(=O)N2)c(F)c1 12038696 YFUOLTVZSUDIHW-HXUWFJFHSA-N 390.480 3.184 0 1 GGAF Cc1ccc(N2C(=S)N[C@@H]3c4ccccc4O[C@@]2(C)[C@H]3C(=O)N(C)C)cc1 13497266 SOFOHNSSJHEKBZ-OPYAIIAOSA-N 381.501 3.244 0 1 GGAF C[C@]1(c2cc(NC(=O)c3ncc(Cl)cc3F)ccc2F)N=C(N)OC[C@@H]1F 169702944 WGZWTJFBCUJEDS-SUMWQHHRSA-N 398.772 3.164 0 1 GGAF Cc1ccccc1CSc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 1857611181 OBUQYKHQLIGUOR-QGZVFWFLSA-N 380.469 3.048 0 1 GGAF O=C(Nc1cccc(F)c1)C1CCN(C(=O)N2CCOc3ccccc32)CC1 6842117 OKIXKBACVKGFDU-UHFFFAOYSA-N 383.423 3.495 0 3 GGAF CC[C@@H](C)NC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 6901482 ATFGYUOPCXQOJP-MRXNPFEDSA-N 391.537 3.121 0 3 GGAF CCOCCC(=O)Nc1ccc2c(c1)c(=O)n(C)n2C/C=C/c1ccccc1 61902523 FZZDUKOTWHQWFR-JXMROGBWSA-N 379.460 3.419 0 3 GGAF C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CC[C@H](c2ccccn2)NC1=O 212179207 QTIFEOZYTGKTHW-IJEWVQPXSA-N 394.500 3.478 0 1 GGAF CC1(C)NC(=N)NC(=N)N1OCCCOc1c(Cl)cc(Cl)cc1Cl 45201497 BDBUCDCGFCEQAB-UHFFFAOYSA-N 394.690 3.448 0 1 GGAF COc1cc2c(cc1OC)[C@H](O)C[C@@H](NC(=O)C(F)(F)F)c1cc(O)ccc1-2 84615023 OJFQSHMUCHHBPR-HUUCEWRRSA-N 397.349 3.233 0 1 GGAF CN(C)[C@@H]1CCN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 144753272 VWZHWGNVDBOXOC-VLIAUNLRSA-N 390.405 3.241 0 1 GGAF CC(C)C[C@H]1COCc2cn(nn2)CC[C@H](Cc2cccc(Cl)c2)C(=O)N1 95662963 SOHYHTLQVKWNGI-AEFFLSMTSA-N 390.915 3.242 0 1 GGAF C[C@@]1(c2cc(NC(=O)COc3ccccc3O)ccc2F)CCSC(N)=N1 147818034 RSDWHUIXYKSYEX-IBGZPJMESA-N 389.452 3.216 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5ncccc54)ccc31)[C@H]1CC[C@@H](C2)N1 96175243 BRAKEXHXQMNJDV-SUMWQHHRSA-N 392.484 3.114 0 1 GGAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H]3[C@H](C[C@]12O)O[C@H]1OC(=O)C[C@H]13 255259145 PHLWRVWXUFAVPX-BNVWYPRKSA-N 390.520 3.019 0 1 GGAF CC(C)N1CCC(Oc2ccc3c(c2)CCN([C@@H]2CCN(C(C)C)C2)C3=O)CC1 653767612 GVSNTQYPFWTBAZ-HXUWFJFHSA-N 399.579 3.419 0 1 GGAF COC(=O)c1cc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2cc1OC 587076010 NUBFOBAKQGZBIC-UHFFFAOYSA-N 383.795 3.259 0 1 GGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cccc(Br)c2[nH]1 587230122 FLPYDIDKYAXSRB-NWDGAFQWSA-N 380.286 3.362 0 1 GGAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc[nH]c(=N)c3[nH]2)cc1 586949801 ATRVJIUHSPVISW-UHFFFAOYSA-N 379.445 3.147 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)CCC(=O)O)c1)[C@@H](C2)C3=O 587433751 VUUQPRQNVDYZJJ-AOMKIAJQSA-N 395.411 3.161 0 1 GGAF CCOC(=O)C(=O)C[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597254 QJKDGDHIZKRWDK-UWJYYQICSA-N 384.384 3.025 0 1 GGAF N=c1[nH]ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c12 587230835 JMKZKHLCFOTEIA-UHFFFAOYSA-N 388.431 3.260 0 1 GGAF N=c1nc2c(c[nH]1)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333761 ICTYMNJPSPOROE-DENIHFKCSA-N 391.402 3.325 0 1 GGAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587235872 RLCJEKZUHZZEOD-NKWVEPMBSA-N 378.148 3.074 0 1 GGAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1 587936836 MEHBKJOLIVCHTL-YEJXKQKISA-N 392.459 3.164 0 1 GGAF C=C(NC(C)=O)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 587203961 RSBXIITXHHMBCO-UHFFFAOYSA-N 375.388 3.395 0 1 GGAF COC(=O)c1csc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587613437 OUOKOFKCLMWSBI-YOEHRIQHSA-N 383.381 3.338 0 1 GGAF COc1cncc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c12 587114071 UWMXTDGWENFIHH-KRWDZBQOSA-N 378.354 3.385 0 1 GGAF COc1ccc(S(=O)(=O)Cc2nc3c(C)c(Br)cnc3[nH]2)cc1 586920334 ITRKTBGQCLIMDE-UHFFFAOYSA-N 396.266 3.011 0 1 GGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](c2ccc(C3CCCCC3)cc2)(C(O)O)N1 962905472 FEJKWYPKYNJZSQ-NZQKXSOJSA-N 399.462 3.027 0 1 GGAF O=c1c2sc3nc4c(cc3c2nnn1-c1ccccc1Cl)[C@@H](O)CCC4 1772590192 YPUAUTBUHWWFRW-AWEZNQCLSA-N 384.848 3.414 0 1 GGAF CC(C)[C@H](CO)NCc1nc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1F 204413775 HVHJROZNKPXFNK-KDOFPFPSSA-N 381.492 3.052 0 1 GGAF Cc1ccc(COc2ccc(NC(=O)c3ccncc3)cc2-n2cnnn2)cc1 1857581671 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NS(=O)(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587033503 WHVAHUQZESJGLJ-UHFFFAOYSA-N 384.486 3.218 0 1 GGAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587217416 VWGOGYWEVINEBM-GOSISDBHSA-N 394.496 3.458 0 1 GGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc5c(cc4[nH]3)OCCO5)cc12 587036814 AIZQFSGRNPCWKE-SNVBAGLBSA-N 397.460 3.082 0 1 GGAF Oc1nc(O)c2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2n1 587109635 IFIPOGWEVUTLKL-UHFFFAOYSA-N 378.232 3.393 0 1 GGAF C=CN1CC[C@@H]([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587438873 RTINASONBVVEIS-PMAPCBKXSA-N 375.424 3.330 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1F)[C@@H](C2)C3=O 587428496 OYTXNFBAUFNWBU-AGKSTNPPSA-N 377.412 3.160 0 1 GGAF COC(=O)C[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586168 JAGPMPYUVDAGBZ-SIKLNZKXSA-N 391.379 3.207 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)nc2)N1 587850413 PXPKWAGUSGCWSR-FVMDXXJSSA-N 399.285 3.010 0 1 GGAF COc1ccc([C@@]2(C)NCC3(CCOCC3)c3cc(OC)c(OC)cc32)cn1 963189103 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COc1cc2c3c(c1)O[C@H]([C@H]1CCN(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 587437430 IJPKZWTXTIVJBW-LZFQIVBZSA-N 393.439 3.470 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]41)[C@@H](C2)C3=O 587441531 GJGPEGIIKBCSCD-MMAMFSCZSA-N 385.460 3.458 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C(=O)O)n2)N1 587772513 OCYAEDWNHSIXEV-XYZCENFISA-N 379.229 3.479 0 1 GGAF COC(=O)c1ccccc1[C@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962637202 KOZMKMMZWGGDBG-AUSIDOKSSA-N 390.439 3.209 0 1 GGAF CSCC[C@@H](CN1CC=CC1)N(C)C(=O)Cc1ccc(Br)cc1 13816997 AXOUSAABXUFXEA-KRWDZBQOSA-N 397.382 3.444 0 1 GGAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NCC(F)(F)F 206080397 DTQJEAKNKGKTFD-UHFFFAOYSA-N 375.354 3.193 0 1 GGAF O=C(Nc1ccc(OC2CN(C(=O)C3CCC3)C2)cc1)N1Cc2ccncc2C1 167289320 RHUMKFBDBLGTEC-UHFFFAOYSA-N 392.459 3.019 0 1 GGAF COc1ccc(Nc2ncc3c(n2)N(C2CCCC2)Cc2nnc(C)n2-3)cc1 1857609022 WNAUQFQPFLWPPI-UHFFFAOYSA-N 377.452 3.381 0 1 GGAF COc1cc(N2C(=O)CN(Cc3ccc(F)c(F)c3)C2=S)ccc1N(C)C 1857645748 FRBLEFDVVGZQCN-UHFFFAOYSA-N 391.443 3.173 0 1 GGAF O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F 4206733 QTCROKLYTNIXPQ-NVXWUHKLSA-N 397.233 3.333 0 1 GGAF O=C(NCc1ccc(Cl)cc1)[C@H]1CN(C(=O)c2ccc(F)cc2)CCS1 6585235 QIAODCQHVCNEJE-QGZVFWFLSA-N 392.883 3.353 0 1 GGAF CN(C)C1=N[C@H](C(=O)c2c[nH]c3ccccc23)[C@@H]2C(=N)c3[nH]c4ccccc4c3N12 2356637198 KNAQLJOFDZGSKP-FPOVZHCZSA-N 396.454 3.388 0 1 GGAF COc1cc(N(C)C)c(Cl)cc1C(=O)NCCN(C)Cc1ccccc1 28237255 ILNQRFPSSAJAIQ-UHFFFAOYSA-N 375.900 3.276 0 1 GGAF COC1=C[C@]2(Oc3ccc(-c4ccccc4OC)cc3C2=O)C(OC)=C[C@@H]1O 73166577 OZSBCCYIWLJSNE-AOMKIAJQSA-N 380.396 3.111 0 1 GGAF CNc1nc(N2CCN(Cc3ccccc3)CC2)nc2cc(OC)c(OC)cc12 82131236 OERMCICWSABGEO-UHFFFAOYSA-N 393.491 3.011 0 1 GGAF CCCCOCCOC(=O)[C@H](C)NC(=O)c1csc(-c2ccccc2)n1 82070781 LCXAQXLTPIKWHW-AWEZNQCLSA-N 376.478 3.288 0 1 GGAF CC[C@@H]1CN(S(=O)(=O)c2ccccc2)CC[C@@H]1CC(=O)NCc1ccco1 25427796 XVTYLYBRBQRSJO-IAGOWNOFSA-N 390.505 3.023 0 1 GGAF biogenic c1cncc(-n2c(CO[C@H]3CCCCO3)nnc2SC[C@H]2CCCCO2)c1 618017166 HKRNNDQIHQIUNP-AEFFLSMTSA-N 390.509 3.367 0 1 GGAF COc1ccc(-c2oc3c(C)c(OC)c(OC)c(O)c3c(=O)c2OC)cc1O 59770783 UGQQYSCOGXWBHY-UHFFFAOYSA-N 388.372 3.214 0 1 GGAF biogenic COC(=O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1OC 587042420 TWOTYBPDDOOESN-HZPDHXFCSA-N 383.473 3.304 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2cc(N(C)C)ccc21 587485016 HXOHOSRIIKVGIK-QFIPXVFZSA-N 380.444 3.248 0 1 GGAF Cc1cc(=NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[nH]o1 586986848 FTQQGGLUDGLUKM-UHFFFAOYSA-N 385.379 3.051 0 1 GGAF CCS(=O)(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587174852 MXZKRSQCDUSMOW-HNNXBMFYSA-N 386.452 3.219 0 1 GGAF COC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343008 JASZQGBCWLOEMV-SFHVURJKSA-N 385.391 3.491 0 1 GGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)ncc2[nH]1 587193947 JKLRLDSCHOKCFT-SNVBAGLBSA-N 398.305 3.238 0 1 GGAF COCOc1ccccc1[C@]1(c2ccccn2)NCCc2nc3ccccn3c21 962987523 NCHAWJISRBUDBN-HSZRJFAPSA-N 386.455 3.150 0 1 GGAF C/C=C1/CN2[C@H]3C[C@@]45C(=Nc6c4cc(OC)c(OC)c6OC)OC[C@H]3[C@@H]1C[C@H]25 1772621481 KQEBWWUZXARNSU-RMCYUQMISA-N 382.460 3.063 0 1 GGAF CC[C@H](C)[C@@H](CO)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 165805147 AQLBBRCXBWOEKO-MGPUTAFESA-N 381.476 3.371 0 1 GGAF CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O 205279476 MWWNCZJVJAWXGZ-UHFFFAOYSA-N 379.844 3.009 0 1 GGAF Cc1cc(O)nc(-n2ncc(C(=O)N3CCc4ccccc4C3)c2CC(C)C)n1 1857617517 UDHIMUYNTSNSBW-UHFFFAOYSA-N 391.475 3.073 0 1 GGAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]23)cc(OC)c1O 2356402982 WQXZSCSXVJCPOG-HLNGLMCHSA-N 386.400 3.213 0 1 GGAF CC(C)(C)OC(=O)N1CCC[C@]12c1ccccc1-c1[nH]c(=O)c3nccn3c12 26736333 UCVXQTQCXRNAAE-OAQYLSRUSA-N 378.432 3.278 0 1 GGAF O=C(CCO[N+](=O)[O-])NCCCCNc1c2c(nc3ccccc13)CCCC2 29136027 FZBSIZBRWNKKOD-UHFFFAOYSA-N 386.452 3.020 0 1 GGAF O=C(c1ccc2c(c1)OCO2)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccncc2)cc1 100106943 FXSVTHVPDRAZAT-NPHXMPSESA-N 399.450 3.057 0 1 GGAF COc1ccc2nc(C[C@@H]3CN(Cc4ccccn4)CC[C@H]3CC(=O)O)[nH]c2c1 2356305820 JPOFRVOEJXBETJ-JKSUJKDBSA-N 394.475 3.122 0 1 GGAF COc1cc(-c2c(CO)c(CO)c3n2Cc2ccccc2C3)cc(OC)c1OC 66251131 USOLFDVQDBYCJW-UHFFFAOYSA-N 395.455 3.118 0 1 GGAF Nc1cc(F)ccc1NC(=O)CCCCCNS(=O)(=O)c1ccc(F)cc1 117581543 VYACAXJVXSLSDO-UHFFFAOYSA-N 397.447 3.024 0 1 GGAF O=C(COCc1ccccc1)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356449783 YAEPDWLMDQKOHT-GOSISDBHSA-N 384.407 3.100 0 1 GGAF COc1ccc2nc(C)cc(N3C[C@H](CNC(=O)c4ccccc4)OC3=O)c2c1 72120402 KFVLHEMMYSLAEU-KRWDZBQOSA-N 391.427 3.307 0 1 GGAF CN(CCOc1ccc2c(c1)c(CC(=O)O)cn2C)c1nc2ccccc2o1 71418506 FGXFVCAAOJAQOT-UHFFFAOYSA-N 379.416 3.462 0 1 GGAF CCN(CC)CC(=O)c1ccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40392957 MAAACXQOEUETFU-JOCHJYFZSA-N 397.471 3.415 0 1 GGAF CC(C)c1ccccc1OCCN1CC[C@H](NS(=O)(=O)c2cccs2)C1 95571997 WPIIXBCOJALRHJ-INIZCTEOSA-N 394.562 3.303 0 1 GGAF CNC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570468 IYAJACCAVSEKDO-KNQAVFIVSA-N 377.396 3.174 0 1 GGAF CS(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587120302 XBDULOQTFVCZSH-UHFFFAOYSA-N 398.410 3.109 0 1 GGAF O=Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C=O)c1O 587608564 LPNKJPZXMQVZTC-PGRDOPGGSA-N 390.347 3.426 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@]2(Cl)CCOC2=O)N1 587695311 RGOSDEVJPRROOD-UKXDHYTESA-N 376.653 3.262 0 1 GGAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587203185 JISQEWWLJNBJLF-GOSISDBHSA-N 380.448 3.434 0 1 GGAF CCNC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O 587664139 AXSHQOSQJCPCNZ-UHFFFAOYSA-N 380.448 3.193 0 1 GGAF N[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962903254 UEWPZFULTSLZNQ-WPYKKVEZSA-N 376.431 3.368 0 1 GGAF CN(C)c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1 12354881 SDPNOIGDWTUQEV-ZDUSSCGKSA-N 379.869 3.223 0 1 GGAF CC(C)C(C/C=C1/C[C@](CO)(COC(=O)c2cccc(O)c2)OC1=O)C(C)C 13704170 NTNNXALVKZRFEK-RNXNDPNCSA-N 390.476 3.472 0 1 GGAF COc1ccc(CN=c2[nH][nH]c3ccc(NC(=O)[C@@H]4CCC[C@H](N)C4)cc23)cc1 1857750177 DCYKGIAYETYOGO-CVEARBPZSA-N 393.491 3.062 0 1 GGAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)s1 1857750502 AYQSWRLBTHAWFT-INIZCTEOSA-N 383.473 3.362 0 1 GGAF CC(C)c1c(O)c2c3c(c1O)C(=O)C[C@@H](C(C)(C)C(=O)O)[C@]3(C)CC(=O)O2 13339252 QQOYFHLAUCOYFF-FVINQWEUSA-N 376.405 3.101 0 1 GGAF biogenic COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@]2(C)CCCO2)C(=O)O)cc1 13442230 BYRKTALPFLWGRH-PGRDOPGGSA-N 383.444 3.043 0 1 GGAF COc1ccc([C@@H]2CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2)cc1OC 14436443 XRMJVHGTNXEOHH-ZDUSSCGKSA-N 390.388 3.142 0 1 GGAF biogenic COc1cc2c(cc1OC)[C@H](CCN1CCN(c3ccccn3)CC1)OCCC2 27723654 HKXNPLIJUKTWAC-FQEVSTJZSA-N 397.519 3.315 0 1 GGAF CN(C)S(=O)(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 35079683 WDIDEWVEAINMRC-SLHNCBLASA-N 379.522 3.440 0 1 GGAF Cc1ccc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1C(=O)N1CCOCC1 45300891 GFPVBTCEHMGEHJ-OAOOKAIFSA-N 384.520 3.412 0 1 GGAF O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2cncn2c1 96282790 PKZVLVGFAPWPJA-UHFFFAOYSA-N 391.452 3.097 0 1 GGAF COc1ccc([C@@]23OC[C@]24[C@H]2[C@@H](OC[C@H]24)c2cc(OC)c(OC)cc23)cc1OC 100767218 QNMXTGTWSBDJKC-LNMYJNIUSA-N 396.439 3.312 0 1 GGAF COc1cc(C(F)(F)F)cc(C)c1C(=O)N[C@@H]1COCC[C@H]1N1CCCC1 118604035 PLTVTYLSBCWJSJ-HUUCEWRRSA-N 386.414 3.006 0 1 GGAF C[C@@H](O)c1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)C 206134607 RHIDXFBMAIUIMQ-LLVKDONJSA-N 379.464 3.175 0 1 GGAF CCN(C)c1ncnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1C 261112928 IIFLFMITFZCQHF-OXJNMPFZSA-N 397.523 3.096 0 1 GGAF Cc1ccc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](O)CC2)c(=O)n4C)cn1 261134872 LVIORTDEPFZDSH-WKILWMFISA-N 389.459 3.130 0 1 GGAF COc1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 586952717 GNXYMTKZEIHXQP-UHFFFAOYSA-N 386.458 3.496 0 1 GGAF COC(=O)c1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2n1 587166847 BZIVURKYLGXSAT-HNNXBMFYSA-N 383.383 3.253 0 1 GGAF CCOc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1OCC(=O)O 587441971 NBKYWRSDUIARCJ-VLIAUNLRSA-N 384.384 3.046 0 1 GGAF CN(C)C(=O)C[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587574197 VUVFRXHCNOXDNZ-BANJIEJESA-N 381.428 3.371 0 1 GGAF COc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)n1 587776316 WNMAJWVHXXQOJO-CLAHSXSESA-N 382.233 3.019 0 1 GGAF COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587800078 ZVVZXQWJRJNQLT-YYSFKGJASA-N 391.240 3.327 0 1 GGAF COc1ccc(C2(c3nc4cccc(S(N)(=O)=O)c4[nH]3)CC3(CCC3)C2)cc1 587936076 RDPVNVXETHUMME-UHFFFAOYSA-N 397.500 3.469 0 1 GGAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@]21C=Cn2ccnc2C1 962950235 FCOLWOCPJIQYND-LJQANCHMSA-N 375.394 3.476 0 1 GGAF CCCNC(=O)c1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCO3)on1 61902846 SZZRONLYFPOYHG-KRWDZBQOSA-N 383.448 3.117 0 3 GGAF COc1cccc(OC)c1NC(=O)N1C[C@@H]2ON=C(c3ccccc3C)[C@H]2C1 205229957 MQNFDTVKDVVLIC-YJBOKZPZSA-N 381.432 3.279 0 3 GGAF CCOC(=O)C1CCN(C(=O)c2cc3cc4ccc(OC)cc4nc3o2)CC1 4907881 GXQMLOFYWKCLCV-UHFFFAOYSA-N 382.416 3.405 0 3 GGAF CN(C)Cc1c2c(nc3cc4c(cc13)OCO4)-c1cc3ccccc3c(=O)n1C2 58541838 YWFFBDNQWJPRLZ-UHFFFAOYSA-N 385.423 3.369 0 1 GGAF O=C1NC(=O)/C(=C/c2ccc(OC[C@H]3CCCN3c3ccccn3)cc2)S1 65731575 GRLCJTHTWOJWJS-UHVIJJLKSA-N 381.457 3.453 0 1 GGAF in-vitro O=C(Nc1cc(Cl)ccc1OC1CCC(O)CC1)c1cnn2cccnc12 113652472 ZFIKQWONLNAODK-UHFFFAOYSA-N 386.839 3.317 0 1 GGAF Cc1cnc(Cn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)o1 113402129 XODNHLRRHIVGBX-UHFFFAOYSA-N 390.321 3.406 0 1 GGAF C[C@](O)(C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1Cl)C(F)(F)F 26377605 FTHARYIKZCDUSU-HNNXBMFYSA-N 378.778 3.218 0 1 GGAF O=C(COCc1nc2ccccc2c(=O)[nH]1)NC(c1ccccc1)c1ccccc1 30712665 OPEFMQZIGACOAG-UHFFFAOYSA-N 399.450 3.346 0 1 GGAF O=C(O)c1ccc2c(c1)nc(NCc1cccnc1)c1nc(NC3CC3)ncc12 139828466 STTWLQZZMNJSLC-UHFFFAOYSA-N 386.415 3.458 0 1 GGAF CCCc1c(C(=O)NC[C@@H](N)C(=O)O)[nH]c2cccc(-c3ccccc3CC)c12 43119880 XSHHFVCMUGAULN-GOSISDBHSA-N 393.487 3.492 0 1 GGAF CCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@H](c1ccccc1)CN2 82208956 WHOFXASJGBRHRZ-SFHVURJKSA-N 394.450 3.186 0 1 GGAF CCOC(=O)[C@@H](C(C)=O)[C@@H](c1ccc(O)cc1)c1c(O)c2ccccc2oc1=O 40918934 LJUVFUZXAXLULL-ZWKOTPCHSA-N 396.395 3.104 0 1 GGAF COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)C=C(C)SC(N)=N3)c2)cn1 147105373 RLQMKTAVJXYGAF-SFHVURJKSA-N 387.440 3.057 0 1 GGAF CN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1CC1CC1)C(=O)c1ccc(F)cc1 95895409 AXTMFJHTOGWHNK-BHIFYINESA-N 382.479 3.137 0 1 GGAF CCC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3cccc(OC)c3)ccc1N(C)[C@H]2CO 95877801 BTQNNHATDNSPFK-RZFNWQHOSA-N 380.488 3.473 0 1 GGAF c1ccc(-c2nnc(-c3ccccn3)nc2N2CCN(c3ccncc3)CC2)cc1 95564678 PHBSODZJDFCTAJ-UHFFFAOYSA-N 395.470 3.322 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)c4cnc5[nH]ccc5c4)ccc31)[C@@H]1CC[C@H](C2)N1 96175230 WWFDFCIJUZBZKD-DYVFJYSZSA-N 392.484 3.237 0 1 GGAF O=C(O)[C@H]1CN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCO1 253908008 WGNYIJNJSDBPLE-FJIJXJHWSA-N 377.484 3.409 0 1 GGAF CC[C@@H]1[C@H]2CCCCN3[C@H]([C@@H]4C[C@@H](C)C(=O)O4)C[C@@H]([C@@H]4[C@H](C)C(=O)O[C@@H]41)[C@@H]23 255214343 GYOGHROCTSEKDY-NJTSMYRWSA-N 375.509 3.015 0 1 GGAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 473082495 IRPWNLLRPUUENV-FQEVSTJZSA-N 377.444 3.300 0 1 GGAF COC(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587588712 RRMHRLZNMIKWNH-PXNSSMCTSA-N 377.352 3.277 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc4c(cc3nc1O)OCCO4)O2 587396298 YMJMMJVFIUBSPA-QGZVFWFLSA-N 378.384 3.309 0 1 GGAF COc1c(F)ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1N 587135171 UPJMXOGZZRLLKE-UHFFFAOYSA-N 380.173 3.421 0 1 GGAF CCOC(=O)c1[nH]c2c(c1C)[C@]1(CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437600 HOZSWWGKKRLLGY-JLCFBVMHSA-N 381.428 3.488 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc2c(c1)OCO2 587868270 YHAKUIHUZOMYDE-UHFFFAOYSA-N 391.305 3.390 0 1 GGAF COC(=O)[C@@H](C)[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445242 ZXTNADTYNFLKJY-IPTDYSPRSA-N 382.412 3.156 0 1 GGAF COC(=O)C1=CN(C)C(C)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587761495 UWKFYKCUGYEQEO-MGNBDDOMSA-N 395.272 3.224 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-n2c1nc1ccccc1c2=O 587394413 GOYVEQJTBIBSKD-XMMPIXPASA-N 395.418 3.499 0 1 GGAF Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587782494 MRUFEOXXBBDQCP-UHFFFAOYSA-N 384.399 3.490 0 1 GGAF CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1C(=O)OC)CC5 587211613 HGHMVSVMDRBCIT-AVYPCKFXSA-N 394.471 3.068 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(CC(F)F)CC2 587558221 VPWQXMUFXNOVTR-KRWDZBQOSA-N 375.371 3.454 0 1 GGAF O=C1COc2cc3nc(-c4n[nH]c5cc(OC(F)(F)F)ccc45)[nH]c3cc2N1 587127218 OYNZTJXBTRWROP-UHFFFAOYSA-N 389.293 3.336 0 1 GGAF COc1ncccc1-c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 587923697 FMSITEKYBMIXRQ-UHFFFAOYSA-N 375.475 3.277 0 1 GGAF Ic1cncc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 587185448 UPZPCQWUTXJOEO-UHFFFAOYSA-N 379.157 3.001 0 1 GGAF CCOC(=O)[C@]1(c2cc(F)cc(Cl)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962923478 RABHEILLKMPQIP-QFBILLFUSA-N 395.789 3.024 0 1 GGAF CC[C@]1(c2c[nH]c(C(=O)N3CCOCC3)c2)c2ccc(F)cc2C[C@H]2CCCN21 963108500 PCMNQSHPLGWVJM-XXBNENTESA-N 397.494 3.300 0 1 GGAF O=C([C@H]1Cc2ccccc2[C@@H](c2cccc(Cn3cncn3)c2)N1)C(F)(F)F 962703456 BWWIQHKEIMYJQI-QZTJIDSGSA-N 386.377 3.062 0 1 GGAF Cc1cc2c(cc1O)[C@H](c1ccc(-c3ccc(C=O)cn3)cc1)N[C@H](C(=O)O)C2 963474490 VBNQWUCSSKVING-UNMCSNQZSA-N 388.423 3.263 0 1 GGAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CC(=O)CCC(=O)O)c1ccccc1 963609220 MWFICUFRCPCLMN-NPMXOYFQSA-N 397.471 3.306 0 1 GGAF CC(C)CNC(=O)N1CCn2c(c(C(N)=O)c(-c3ccccc3)c2C2CC2)C1 1772620893 GRLJVHQMHDAJGW-UHFFFAOYSA-N 380.492 3.313 0 1 GGAF COC[C@H]1CCN(C(=O)c2cc(COc3cccc(C(F)(F)F)c3)[nH]n2)C1 11933583 OMQURDVYZOWZMC-LBPRGKRZSA-N 383.370 3.116 0 1 GGAF O=C(Nc1ccc(C(=O)N2C[C@H]3OCC[C@@H]3C2)cc1)N1Cc2ccc(F)cc2C1 167270114 XJIHPGKUHNEFIV-OXQOHEQNSA-N 395.434 3.234 0 1 GGAF COc1ccc2c(c1)sc1[n+]2=C(C)[CH-]/C(=C/c2oc3ccccc3[n+]2C)N=1 53669183 SQDFBNWJWBBIDH-UHFFFAOYSA-N 376.461 3.047 0 1 GGAF CC(=O)N1C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](C1)N2CC(F)(F)F 100087295 BPGQIFSFEUARRB-BTTYYORXSA-N 377.204 3.010 0 1 GGAF CN(CCCSc1ccccc1)C[C@H](O)COc1ccc2[nH]c(=O)ccc2c1 27109722 SBWSXHSGPYASPR-SFHVURJKSA-N 398.528 3.382 0 1 GGAF COc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)c1 116589877 ADFGBBCROKWRPS-ACJLOTCBSA-N 382.485 3.369 0 1 GGAF COc1cc2c(cc1[C@@H]1OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 2356495753 CXRGUJLWMNJJDZ-FJAKRLOMSA-N 384.384 3.228 0 1 GGAF CC(=O)/N=c1/[nH]c2ccc(CCNC(=O)Nc3ccc(C)c(Cl)c3)cc2[nH]1 71317380 NPIVDTMSTOJTOH-UHFFFAOYSA-N 385.855 3.269 0 1 GGAF CCS(=O)(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 84758349 NHCZSGRDDMOPJU-UHFFFAOYSA-N 383.267 3.463 0 1 GGAF O=S(=O)(/N=c1\[nH]cccc1O)c1cc(-c2nc3ccccc3s2)cs1 84687253 OMMVZVLJQHFCJY-UHFFFAOYSA-N 389.483 3.348 0 1 GGAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)NCc2ccco2)C(C)C)co1 82070001 OZBCMGNYRITBOJ-GOSISDBHSA-N 381.432 3.314 0 1 GGAF NC/C=C/c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1 84618076 DGFBQIUWOOMLCQ-OWOJBTEDSA-N 394.504 3.152 0 1 GGAF C[C@@H]1CN(C)C(=O)c2cccc(N(C)C)c2O[C@@H]1CN(C)C(=O)OC(C)(C)C 95662010 NGQOZRJOWAPEHV-RHSMWYFYSA-N 391.512 3.089 0 1 GGAF Cc1cccc(Cc2c3c(nn2C)CCc2cnc(Nc4cnn(C)c4)nc2-3)c1 141184229 SPKNOFSZRWELIH-UHFFFAOYSA-N 385.475 3.352 0 1 GGAF Cc1c(-c2ccn[nH]2)sc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12 148863699 ILBNDUAYPWIWNI-CYBMUJFWSA-N 377.477 3.226 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4nc(C)cs4)ncc23)ccn1 261175849 UVTVAPHUIOFEGE-UHFFFAOYSA-N 379.449 3.415 0 1 GGAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4)nc(C3CC3)n2)cc1OC(F)F 653778413 SGBSMPBARCZZEF-RYUDHWBXSA-N 391.447 3.294 0 1 GGAF CN(C)CCOc1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 586913480 PEQXVLAPJVDAFI-UHFFFAOYSA-N 381.476 3.305 0 1 GGAF Cc1cnc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cn1 587655965 JIWLCYJXRRAHQR-UHFFFAOYSA-N 378.338 3.129 0 1 GGAF CCOC(=O)[C@@H]1C[C@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1C(=O)OC)CC5 587211623 HGHMVSVMDRBCIT-SXGZJXTBSA-N 394.471 3.068 0 1 GGAF Cn1ccnc1[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576301 ILUAMGXGICTCHL-CVDCTZTESA-N 399.406 3.426 0 1 GGAF O=C(Cc1ccccc1)NCCc1nc2c(Br)cnc(Cl)c2[nH]1 587227985 CQBAMAXAFRUPCK-UHFFFAOYSA-N 393.672 3.275 0 1 GGAF COC(=O)[C@@]1(c2c[nH]c3ncccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587528149 XOMRQCSYOXNKCO-QFIPXVFZSA-N 376.412 3.475 0 1 GGAF COc1cc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2cc1F 587258914 APILXPGAQPTFLE-HNNXBMFYSA-N 386.427 3.417 0 1 GGAF Cc1c(O)ccc2c1[C@H](c1cncc3nc(C(C)(C)C)oc13)N[C@H](C(=O)O)C2 963492684 SRGDOTXTILMJTA-GUYCJALGSA-N 381.432 3.223 0 1 GGAF C[C@@]1(c2cnn3ccccc23)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962648708 WSWXIVIDYAEKTQ-XZOQPEGZSA-N 386.455 3.245 0 1 GGAF O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1ccccc1)c1ccc(CCF)cc1 13602952 AXYNUUVRRMNNRY-GMAHTHKFSA-N 383.463 3.072 0 1 GGAF CC(C)(C)n1cnc2c(NCc3ccccc3)nc(N3CCC[C@@H]3CO)nc21 13834629 BQLLSAOJIHBBRL-MRXNPFEDSA-N 380.496 3.155 0 1 GGAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NC[C@H](O)CC 4049033 CWZDYUWDZKJWLI-BSIFCXSSSA-N 382.460 3.064 0 1 GGAF NC(=O)c1cn(-c2ccc(F)cc2F)c2cc(-c3ccncc3)ccc2c1=O 5933698 JQNRQLVFGUYRQX-UHFFFAOYSA-N 377.350 3.430 0 1 GGAF c1cnc(NCc2ccncc2)c(-c2n[nH]c(Nc3ccc4c(c3)OCO4)n2)c1 28530567 BUAKJQVBHMIHNZ-UHFFFAOYSA-N 387.403 3.346 0 1 GGAF COc1ccc(C2=N[C@@H](C)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cc1 34660186 ZOLMUBFKFYQRGY-LBPRGKRZSA-N 375.432 3.223 0 1 GGAF CC(=O)Nc1ccc(CN2C[C@]3(CC(C)(C)Oc4ccccc43)OCC2=O)cc1 35079524 HOUTUEHPWSYERY-QHCPKHFHSA-N 394.471 3.460 0 1 GGAF Cc1ccc2c(N3CCN(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1 40943491 VNLOMGRFINWFNU-UHFFFAOYSA-N 388.471 3.196 0 1 GGAF C/C=C1/CN2CC[C@@]34Cc5cc(O)ccc5[C@H](C)[C@]35OC[C@@]4(C(C)=O)[C@H]1C[C@H]25 95486301 OUFAVWSSJDRCBJ-IRYFOXHNSA-N 379.500 3.437 0 1 GGAF biogenic,in-vitro O=C1NC(=O)C(c2cn(CCO)c3ccc(F)cc23)=C1c1coc2ccccc12 96929135 LLYBKCZLFZKDRV-UHFFFAOYSA-N 390.370 3.086 0 1 GGAF Cc1cc2ccccc2n1CCNC(=O)c1ccc(N2CCN(C)CC2)cc1 169351796 FHFBSRYGEMBHND-UHFFFAOYSA-N 376.504 3.132 0 1 GGAF N#C[C@H]1CCOC[C@@H]1n1cc(C(N)=O)c(Nc2cnc3cc(Cl)ccc3c2)n1 204994031 TYTFKEFIBRFXFB-PXAZEXFGSA-N 396.838 3.028 0 1 GGAF CC(=O)N1CCN(c2ccc(-c3cc4c(C(=O)O)n[nH]c4cc3Cl)cc2)CC1 216022079 SMOBMRZREKQDOM-UHFFFAOYSA-N 398.850 3.250 0 1 GGAF COc1ccc2c3c1O[C@@H]1C(=O)C[C@H](c4ccccc4)[C@H]4[C@@H](C2)N(C)CC[C@]314 253705039 QXZJMGDZMLKVKQ-AJPLMMRLSA-N 375.468 3.327 0 1 GGAF COc1ccc(C[C@@H]2CO[C@H](O)[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC 257708852 YSJWRVMJZYIPHE-JLHGSKIFSA-N 388.460 3.087 0 1 GGAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)C2 586883341 BFOOGYKQKSPTAP-KKUMJFAQSA-N 375.432 3.261 0 1 GGAF Cc1nn(Cc2nc3ccnc(Br)c3[nH]2)c(C)c1Br 586978852 KXZPZRNOENAPNI-UHFFFAOYSA-N 385.063 3.345 0 1 GGAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1[C@H](CN[C@H]1C(=O)O)C4)-c1ccccc1C2=O 587097004 NIEFJPCGITUYKM-ONJZCGHCSA-N 384.435 3.142 0 1 GGAF O=C(NCCc1nc2ccc(Br)c(O)c2[nH]1)OCc1ccccc1 587228751 QSLNIKKNXPNPGU-UHFFFAOYSA-N 390.237 3.500 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)C(F)F)cc1)[C@@H](C2)C3=O 587423985 MRLGEGUMROVONZ-IFXJQAMLSA-N 394.395 3.354 0 1 GGAF CCOC(=O)Cn1c(C)cc2c1CCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430577 JHGQLFQZQOPEKS-HXOBKFHXSA-N 395.455 3.347 0 1 GGAF CC(C)C[C@@]1(c2ncnn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578975 CFJXTXKJCUCREQ-DYESRHJHSA-N 379.416 3.424 0 1 GGAF CNC(=O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582321 ZPQTWFXISHDXKG-NZQKXSOJSA-N 389.407 3.385 0 1 GGAF O=Cc1cc(C=O)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587608869 NBMDAFSESUSOES-AVRDEDQJSA-N 390.347 3.426 0 1 GGAF COc1ncnc(OC)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587776215 CBIWPICKVCLISI-RTHLEPHNSA-N 382.233 3.019 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Oc3cc(O)ccc32)N1 587838457 BNGBMIQKQGHEPN-NIVTXAMTSA-N 392.224 3.381 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CN2CCC[C@@H]2CO1 587864320 XBHBZRDBMUJZMQ-WBMJQRKESA-N 395.381 3.081 0 1 GGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cnc(OC)c(Br)c1 963607811 KLHJHJMYGFQZGI-DYZYQPBXSA-N 393.281 3.494 0 1 GGAF COc1ccc(Cc2cn(CCNC(=O)Nc3ccc(Cl)cc3)nn2)cc1 1857608614 ALYMEMUPCRAJHL-UHFFFAOYSA-N 385.855 3.353 0 1 GGAF COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@@H]2NCc2cccc(C(F)(F)F)c2)cc1 2356313301 YZAGYGFGECBJBH-INDMIFKZSA-N 381.394 3.082 0 1 GGAF COc1cccc2nc(C[C@@H]3CN(C(=O)C4CCCC4)CC[C@H]3CC(=O)O)[nH]c12 2356695234 YNGUQQMSIGCVMT-JKSUJKDBSA-N 399.491 3.244 0 1 GGAF CC1CCC(NC(=O)CN2C(=O)[C@@H](c3ccccc3)Oc3cccnc32)CC1 6796278 KAXUIYGPIOOSMB-MKJPBZQASA-N 379.460 3.243 0 1 GGAF COc1ccc(OC)c(Nc2ncc3c(n2)CCN(Cc2ccccn2)C3)c1 15779113 MXIJUWDBVDCFMJ-UHFFFAOYSA-N 377.448 3.191 0 1 GGAF NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(C(=O)O)c3)c[nH]1)C(=O)N2 28708318 YIUCWIKVMNKNTC-MFOYZWKCSA-N 388.383 3.363 0 1 GGAF CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)C(=O)N32)cc1 40860618 ITXUXMDFKDWLQJ-UYAOXDASSA-N 375.428 3.475 0 1 GGAF CC(C)CNC(=O)c1cnc(NCC[C@@H]2CCCN2C)nc1NC1CCCC1 45325039 OETPVFUSMRMLPC-KRWDZBQOSA-N 388.560 3.113 0 1 GGAF N=C(N)c1ccc(C[C@H]2CCCC[C@H](Cc3ccc(C(=N)N)cc3)C2=O)cc1 48016021 BXYGSMRTHHSAHZ-WOJBJXKFSA-N 376.504 3.415 0 1 GGAF in-vivo Cc1ccc(C(N)=O)cc1Nc1ncnn2cc(C(=O)c3ccccc3)c(C)c12 72178416 KDDUFGPOOAOANO-UHFFFAOYSA-N 385.427 3.420 0 1 GGAF CCC(=O)NC[C@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1C(=O)CC 95895358 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COc1cc2c3c(c1)O[C@@](C)([C@H]1[C@@H]4C[C@H]1N(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587440654 BPFZTEXVWLDABA-YOVZJPLHSA-N 385.460 3.457 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cccc(F)c12 587571160 PLMNDDHEDUZOGX-LAUBAEHRSA-N 377.327 3.341 0 1 GGAF N=c1[nH]c2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc(O)c2o1 587575027 HUDHFVWNUPPVLO-QFBILLFUSA-N 390.351 3.354 0 1 GGAF COC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1C 587575915 GWHXBMVKQIJCEX-PGRDOPGGSA-N 393.395 3.394 0 1 GGAF COc1cc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ncn1 587589497 XCOVHYZRYXJWIK-RXVVDRJESA-N 378.384 3.154 0 1 GGAF CCN(CC)c1ccc(-c2nn(-c3nccn3C)c(=O)c3ccccc23)c(O)c1 587667499 MKYHWFDEPSALRO-UHFFFAOYSA-N 389.459 3.338 0 1 GGAF COC(=O)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587774490 VWZKSFSUYLZRGB-JDNHERCYSA-N 379.229 3.393 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)N(C)C)[nH]2)N1 587788808 ADXKCMRMKBCJOT-JDNHERCYSA-N 380.261 3.242 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCN1C[C@H](C)O[C@H](C)C1 587872634 PFDGGHLZRLCVGS-GASCZTMLSA-N 375.444 3.227 0 1 GGAF C[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2F)CCC[C@H]1C 621433914 BIBOPFSEARXLEA-GLJUWKHASA-N 382.501 3.165 0 1 GGAF C[C@@]1(C[C@](N)(c2ccccc2)C(F)(F)F)N[C@H](C(=O)O)Cc2cccc(F)c21 962892765 DVTGFYZEWDXCSD-SNRMKQJTSA-N 396.384 3.446 0 1 GGAF Cc1ncc([C@@H](CNC(=O)c2ccccc2Cl)N2CCC(F)CC2)cn1 1772575234 NKXKARQRCRKMSM-GOSISDBHSA-N 376.863 3.343 0 1 GGAF CC1(C)OC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2C(=O)C[C@@H]2C[C@H]4C[C@@]23CC[C@]4(O)CO)O1 2356323360 BFMJDQAEEZUQAJ-PHSWQGGHSA-N 392.536 3.063 0 1 GGAF COc1ccc(Cc2nc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cc3o2)cc1 11946298 KQZBHKVQRMDTAK-QGZVFWFLSA-N 379.460 3.203 0 3 GGAF CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCCOC 4049631 PASHBLHEUQRNGC-PZJWPPBQSA-N 382.460 3.330 0 1 GGAF COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)s2)CC1 13445379 XNTSPXZSNQJDTP-UHFFFAOYSA-N 385.533 3.201 0 1 GGAF O=C(O)C[C@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)C(=O)c2ccccc21 13601293 QEISRRCLFIVFMK-OAHLLOKOSA-N 377.318 3.446 0 1 GGAF CC(C)Oc1c(Cl)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 28570819 XBMPNDOUQKDAAZ-UHFFFAOYSA-N 383.779 3.130 0 1 GGAF Nc1ncncc1-c1noc([C@@H]2CCCN2Cc2ccc(C(F)(F)F)cc2)n1 35426048 SYBLUEBWFIXLHG-AWEZNQCLSA-N 390.369 3.465 0 1 GGAF biogenic Cc1ccc(Cc2noc([C@H]3CC[C@H](Nc4ncnc5[nH]ncc45)C3)n2)cc1 35792598 JTKNIJDRSHYXLX-GJZGRUSLSA-N 375.436 3.383 0 1 GGAF in-vitro COc1cccc(CNC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3c(=O)[nH]2)c1 40011863 NNLKQINFGFJMNL-ROUUACIJSA-N 389.455 3.298 0 1 GGAF O=c1ccc(-c2ccccc2)nn1CCN1CCN(c2ccc(Cl)cc2)CC1 98083251 VCODTSDTELJOTG-UHFFFAOYSA-N 394.906 3.386 0 1 GGAF O=S(=O)(c1cc(Cl)c2oc3c(c2c1)CNCC3)c1ccccc1CO 147522234 LULKILFFGWNUSA-UHFFFAOYSA-N 377.849 3.057 0 1 GGAF O=C(NCc1cccc(Cl)c1)[C@@H]1CCC[C@@H](Nc2ncnc3nc[nH]c23)C1 221316634 PSUYBUSZSNZFBV-UKRRQHHQSA-N 384.871 3.293 0 1 GGAF O=C1NC[C@@]2(N3CCOCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 299853728 OWGUGCNUZLQXNF-IJYNEAPUSA-N 376.500 3.165 0 1 GGAF COc1cc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cn1 586985565 OOLLTFGSDAMPMV-CYBMUJFWSA-N 389.253 3.149 0 1 GGAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C1=CN2NC=NC2=NC1=CC3 586990504 YGERQBPZSBQQNX-UHFFFAOYSA-N 391.390 3.151 0 1 GGAF CCOC(=O)/C(=C/N(C)C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568216 BADMFXCZMRRTHR-NGSROQMZSA-N 397.427 3.121 0 1 GGAF CC(=O)c1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C 587763574 KFXIMCQTBQBSRD-XLFHBGCDSA-N 380.261 3.322 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1[C@H]3C(=O)[C@@H]4[C@H]5[C@H]3C[C@H]1[C@H]5[C@H]42 587829226 RDBXCEGEOKWHMZ-YPFAHNATSA-N 388.280 3.275 0 1 GGAF COC(=O)c1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587853858 OFXBSSXUVCMHCR-WPPNPWJKSA-N 385.258 3.455 0 1 GGAF CC(C)(C)c1[nH]cnc1[C@@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962648821 XBJIDRSDHRWTIO-JTSKRJEESA-N 378.476 3.443 0 1 GGAF O=C(O)CCCC(=O)Nc1cc(Nc2ccccc2Br)ncn1 1857770339 VUBLJYPBXCFQHI-UHFFFAOYSA-N 379.214 3.176 0 1 GGAF CCOc1ccncc1-c1c(Cl)ncn1-c1ccc(S(C)(=O)=O)cc1 27103756 ZZVUBXIMHCRPKZ-UHFFFAOYSA-N 377.853 3.390 0 1 GGAF CSc1cccc(NC(=S)OCCNC(=O)c2ccccc2C(=O)O)c1 28478213 RJWGHZCUCJHYHG-UHFFFAOYSA-N 390.486 3.250 0 1 GGAF NC(=O)c1cn(CC(F)(F)F)c2c1CCc1cnc(NC3CCCC3)nc1-2 64539320 ALWICLGIEFINRR-UHFFFAOYSA-N 379.386 3.059 0 1 GGAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1CN(C)C)CC[C@@H](c1ccccc1)O3 28867378 GERZPJKYERQIHH-FQEVSTJZSA-N 392.503 3.472 0 1 GGAF COc1nc(C(=O)N[C@@H]2COc3ccc(Cl)c(C)c32)ccc1-n1cnc(C)c1 68268116 DKUGACZBVPGPQR-OAHLLOKOSA-N 398.850 3.410 0 1 GGAF CC(C)NC(=O)C1CCN(C2CCN(Cc3nc(C(C)C)cs3)CC2)CC1 36385631 DNGOYDMCVOBNOW-UHFFFAOYSA-N 392.613 3.468 0 3 GGAF CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3OC)CC2)c1 40874737 RNCKYHACALLLSZ-UHFFFAOYSA-N 383.448 3.130 0 1 GGAF CCCc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCNC(C)=O 82188752 JBZCDJULRNHINT-OAHLLOKOSA-N 380.496 3.131 0 1 GGAF COC(=O)c1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2 40936785 HBBGZXQWDINZIA-INIZCTEOSA-N 377.400 3.053 0 1 GGAF CCN(C)CC(=O)c1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40866160 WPQCAAPNEHULBQ-NRFANRHFSA-N 383.444 3.025 0 1 GGAF COc1cccc(CNC(=O)N(CCN(C)C)c2ccc(-c3cn[nH]c3)cc2)c1 95592555 DCMGAFIIZAVTLN-UHFFFAOYSA-N 393.491 3.363 0 1 GGAF CN1C(=O)[C@@H](N2CCN(Cc3ccc(Cl)cc3)CC2)CCc2ccccc21 96299790 QJZDCDLDKXELAM-NRFANRHFSA-N 383.923 3.435 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ncnc(OCC4CC4)c3F)C2)cc1 149974496 MATIXJNJYPZIJT-ZDUSSCGKSA-N 384.455 3.205 0 1 GGAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 586882302 MZMGPEDFUSTWDX-UHFFFAOYSA-N 391.471 3.324 0 1 GGAF COc1ccc2c(C)c(CCc3nc4cnc(Cl)[nH]c-4n3)c(=O)oc2c1C 586919166 WPSGLGGHMPXPPK-UHFFFAOYSA-N 384.823 3.475 0 1 GGAF COC(=O)C1=CN(C)C(C)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587758315 IMQSTEBTAMTFNW-MGNBDDOMSA-N 395.272 3.224 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(C)c1Oc1cccnc1)[C@@H](C2)C3=O 587430874 HTHXWGVBQVHCDX-MGPUTAFESA-N 377.400 3.413 0 1 GGAF Cc1c(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)sc2c1C(=O)N1CCC=C1N2 587029099 HQQDRPDWERGDQQ-UHFFFAOYSA-N 393.428 3.044 0 1 GGAF COc1ccc([C@]2(C[C@@H](C)C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587443194 PHDUQDATQUZXPX-IPTDYSPRSA-N 382.412 3.458 0 1 GGAF CCS(=O)(=O)c1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587174081 LQTGJTFCHOWKJG-LJQANCHMSA-N 388.420 3.124 0 1 GGAF Cc1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2n1 586943125 WBSNXTGKYFTBAQ-UHFFFAOYSA-N 385.276 3.094 0 1 GGAF CCOC(=O)c1nn(C(C)(C)C)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433437 YCVRDEOEHIUOGI-BFUOFWGJSA-N 384.432 3.312 0 1 GGAF Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCN(C(=O)c3cc(C4CC4)[nH]n3)C2)n1 1772586508 WCOMCPYVSHGEPF-OAHLLOKOSA-N 376.464 3.021 0 1 GGAF COc1ccc(-n2c(=O)c3[nH]cnc3n(-c3ccc(OC)cc3)c2=S)cc1 5543028 TWHUKSRQQPUDAA-UHFFFAOYSA-N 380.429 3.251 0 1 GGAF CN(C)C[C@H](O)COc1ccc(Nc2ncc(F)c(Nc3ccccc3)n2)cc1 13538073 AANGHTIVIZOGHR-KRWDZBQOSA-N 397.454 3.404 0 1 GGAF CC(=O)Nc1ccc(SC[C@@H](CC(C)C)N2CCN(C)CCC2=O)cc1 13830318 BTUNYMHKVURRJB-GOSISDBHSA-N 377.554 3.316 0 1 GGAF CO[C@H]1c2cccc3c2c(cn3S(=O)(=O)c2ccc(C)cc2)C[C@@H]1N(C)C 13864771 IMWREOXJWBKCPU-FPOVZHCZSA-N 384.501 3.361 0 1 GGAF CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccc(OC)cc4)ccc1c23 169308106 ZAFDZZBLLWYWKW-UHFFFAOYSA-N 396.468 3.307 0 1 GGAF CN1C[C@H](C(=O)OCCO)C[C@@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]21 169368886 UGSVTHLCYAINLK-BSIFCXSSSA-N 382.504 3.252 0 1 GGAF Cc1ccccc1CCC(=O)Nc1cncc(C(=O)c2cn(C)c3ncncc23)c1 169707873 UERMEVCBNDJLAH-UHFFFAOYSA-N 399.454 3.474 0 1 GGAF O=C1C[C@](O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3ccc(F)cc3)CC2)N1 1857602708 KVLXBABIFCZORD-QGZVFWFLSA-N 398.360 3.025 0 1 GGAF COc1cc(C(=O)c2cnn(-c3cccc(Cl)c3)c2N)cc(OC)c1OC 1857773445 AXPDFKUOLWOAIQ-UHFFFAOYSA-N 387.823 3.365 0 1 GGAF CCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)c1cccnc1SC 4546917 ZJPBNHZEZKZWGY-WBVHZDCISA-N 393.553 3.120 0 1 GGAF CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)c2ccco2)C1 4612121 YHRSCQHSHLSNRD-SXLOBPIMSA-N 396.487 3.483 0 1 GGAF CCOC(=O)C(=O)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1 28116705 NKBWXTIBXWBFBH-UHFFFAOYSA-N 391.832 3.278 0 1 GGAF O=C(O)Cc1ccc(OC2CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 103269886 WUGMQEQDVAWHIG-RTWAWAEBSA-N 394.471 3.423 0 1 GGAF COCC[C@H](CC1(C(=O)NCCc2ccc(OC)cc2)CCCC1)C(=O)O 28640728 UWIOFSIOIWRCQW-QGZVFWFLSA-N 377.481 3.042 0 1 GGAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N(CC)CC)[C@H](O)[C@@H]2[C@@H]1C 2356404414 NDGFAXBERKKHMQ-ZXVVIYOUSA-N 395.588 3.002 0 1 GGAF COc1ccc(C(=O)Cn2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)cc1 66113387 NCMYFWCPWPQBIF-UHFFFAOYSA-N 389.415 3.063 0 1 GGAF NCc1ocnc1CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 66058816 MBTMPDKOAXUEEZ-LJQANCHMSA-N 388.475 3.484 0 1 GGAF CC(C)(C)NC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72102951 DQQNJIXUYNFNKE-SFHVURJKSA-N 387.915 3.345 0 1 GGAF CN1C(=N)C([C@@H](CC(=O)c2ccccc2)C(=O)c2ccccc2)C(=N)N(C)C1=O 45316620 PFFBCCWDEREKDP-PYUWXLGESA-N 390.443 3.326 0 1 GGAF CN(C)S(=O)(=O)NCCCCCC(=O)Nc1cccc(-c2ccccc2)c1 40404275 RBHNUHIAJDYBOC-UHFFFAOYSA-N 389.521 3.249 0 1 GGAF COc1cc(-c2cn[nH]c2)cc2c(=O)[nH]c([C@H](N)c3ccc(Cl)cc3)nc12 95587832 MPBXAFKZGHQKPT-MRXNPFEDSA-N 381.823 3.023 0 1 GGAF O=C1c2cccc3c2c(nn3Cc2ccccc2)CCN1[C@@H]1CN2CCC1CC2 96169945 MEYSSICNMCKUSB-JOCHJYFZSA-N 386.499 3.177 0 1 GGAF O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C1 95557313 WCKFYMJNMQXPSP-HNNXBMFYSA-N 379.865 3.492 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(C4CC4)c3F)C2)cc1 261128026 KOYZGXLWDSXRCY-SCLBCKFNSA-N 384.455 3.348 0 1 GGAF CS(=O)(=O)c1cccc(-c2ccc3ncc(-c4ccc(C(=O)O)cc4)n3n2)c1 299822566 OIQRTOJREFJHPD-UHFFFAOYSA-N 393.424 3.165 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c2ccc(F)c1F 587568233 GXHHBTWTGIMZQX-QVKFZJNVSA-N 395.317 3.480 0 1 GGAF COc1ccc(/C=C\Cc2nc3nc(Br)c[nH]c-3n2)c(OC)c1 587929785 QCLRLUSHVRVCRW-ARJAWSKDSA-N 375.226 3.340 0 1 GGAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C[C@H](N)C(=O)O)cc1)CC2=O 587472319 GIYBGWKVNDIZRR-JTSKRJEESA-N 383.444 3.180 0 1 GGAF COC(=O)[C@@H](N=O)[C@@]1(C(C)C)c2ccsc2CCN1Cc1cccn1C 962395414 CWSWBQYKGKACFN-IEBWSBKVSA-N 375.494 3.304 0 1 GGAF NC(=O)COc1ccc(Br)cc1[C@H]1NCCc2cc(Cl)ccc21 963390355 HYZQKDNUFXJAEN-KRWDZBQOSA-N 395.684 3.202 0 1 GGAF C[C@]1(c2cccc3c2OCO3)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962694461 HHEMUETWQSQYPZ-KBXCAEBGSA-N 397.324 3.436 0 1 GGAF COc1ccc(/C=C/C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c(OC)c1 12599784 HBUOBZLBYFHDTL-SCIDYTKHSA-N 375.465 3.201 0 1 GGAF CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1NCc1ccc2c(c1)OCO2 15671981 HCMRUBKSRMGIKQ-UHFFFAOYSA-N 384.457 3.295 0 1 GGAF CCn1cc(Cl)c2cnc(NC(=O)c3ccc([C@](C)(O)CO)c(C)c3)cc21 150015898 YNCUMYDOPLRRHQ-HXUWFJFHSA-N 387.867 3.470 0 1 GGAF C[C@@]1(c2nnnn2Cc2ccccc2)CCSCC(=O)N1Cc1cccs1 203465806 ZKBXRASOPUFUPJ-IBGZPJMESA-N 399.545 3.164 0 3 GGAF COc1ccc(CN=c2[nH][nH]c3ccc(NC(=O)[C@H]4CCC[C@H](N)C4)cc23)cc1 1857750178 DCYKGIAYETYOGO-HOTGVXAUSA-N 393.491 3.062 0 1 GGAF Cc1nc(N(C)CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)sc1C 1482434 KEGZKIQBLMXPSE-OAHLLOKOSA-N 391.518 3.169 0 1 GGAF O=C1NC(=O)C(c2cccc(Cl)c2)=C1Nc1ccc(Cl)c(C(=O)O)c1 2047365 ONVZFCHLOZUXRP-UHFFFAOYSA-N 377.183 3.171 0 1 GGAF in-vivo CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NCCO)cc1 2480922 PBBVNDZEPRANTO-UHFFFAOYSA-N 382.416 3.138 0 1 GGAF COc1cc2c(cc1O)[C@]1([C@@H](C)c3ccc4c(c3[C@@H]1OC(C)=O)OCO4)N(C)C2 2356392147 QMNLUGSVKGQYAU-FSYBCHNYSA-N 397.427 3.192 0 1 GGAF Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCc2ccccn2)o1 3006167 FNMILWYLJJDMRU-UHFFFAOYSA-N 384.457 3.028 0 3 GGAF C[C@H]1Sc2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3)cc2NC1=O 6892760 WLDRONRNZZFRHQ-LLVKDONJSA-N 396.921 3.294 0 3 GGAF COc1ccc(C)cc1NC(=O)Cn1c(=O)c(C(F)(F)F)nc2ccccc21 8599581 ZZYOPRGZSIALMJ-UHFFFAOYSA-N 391.349 3.371 0 1 GGAF COCCOc1cc(C)c2c(c1C)[C@H](O)[C@@H]([C@@H](C)C(=O)N1CCCC1)CC2 25206007 HXCUJONCFQGFQG-FQELHTAISA-N 375.509 3.183 0 1 GGAF biogenic CCCSc1nc(N(C)C)ccc1C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 101550227 MEZAJLGYHJTWFV-SQBRUUDASA-N 389.565 3.319 0 1 GGAF Cc1coc(Cn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)n1 113398551 WKKLMCJUZVSRLP-UHFFFAOYSA-N 390.321 3.406 0 1 GGAF CC[C@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@@H](N)CCSC 28757177 FKRBSIPVULUMDG-WBKMXMRLSA-N 376.566 3.304 0 1 GGAF COc1ccc2c(c1)[C@@H]1NC(=S)N[C@](C)(O2)[C@@H]1C(=O)Nc1ccc(C)cc1C 104786038 SKGFNVJFCBPWOT-BBTUJRGHSA-N 397.500 3.194 0 1 GGAF Cc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1OCCO 113826199 GCWJCJSCGSLPQM-FQEVSTJZSA-N 380.492 3.319 0 1 GGAF CN(C)[C@@H]1CC(C)(C)[C@@H]2C[C@](C)(O)CC[C@@]21CCC(=O)NCc1cccnc1 2356864362 VTYIXLGAAUFMKH-CSGUBPAMSA-N 387.568 3.376 0 1 GGAF NC1=N[C@@](Cc2ccccc2)(c2ccncc2)C(=O)N1CCCc1ccccc1 45321725 HCVZZVIDZFKGSV-DEOSSOPVSA-N 384.483 3.309 0 1 GGAF CCOP(=O)(OCC)C(F)(F)CCCc1c[nH]c2c(=O)[nH]c(N)nc12 45367689 BMPLIBROIHLOAE-UHFFFAOYSA-N 378.316 3.015 0 1 GGAF CCc1ccccc1-c1ccc(Cl)c2[nH]c(C(=O)NC[C@H](N)C(=O)O)cc12 43079655 PAAGAWRKHJGHRH-INIZCTEOSA-N 385.851 3.192 0 1 GGAF Cn1cc(-c2cc3c(-c4cc(N5C[C@@H](F)[C@H](F)C5)ncn4)n[nH]c3cc2F)cn1 225573903 FASABOYDHVGFGQ-HUUCEWRRSA-N 399.380 3.056 0 1 GGAF CC(C)CNC(=O)[C@H](Cc1c[nH]cn1)Nc1nc(-c2cccc(F)c2)cs1 82192149 UHHXDMPFBMPMLB-INIZCTEOSA-N 387.484 3.468 0 1 GGAF CCCCCNc1ncnc2c1nc(CCc1ccccc1)n2CCNC(C)=O 82186679 ICWBLIQAHJDOCO-UHFFFAOYSA-N 394.523 3.350 0 1 GGAF N#Cc1cccc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)c1 225555478 UAHYPRQWRNSICG-UHFFFAOYSA-N 382.427 3.395 0 1 GGAF CC(C)CNC(=O)[C@H](Cc1c[nH]cn1)Nc1nc(-c2ccccc2F)cs1 82192152 JMEKTQZQTIOQAQ-INIZCTEOSA-N 387.484 3.468 0 1 GGAF O=c1[nH]c(CN2CC[C@H](O)C2)nc2c1sc1ccc(-c3ccccc3)cc12 45288163 RVEDMOLIJBWGQX-HNNXBMFYSA-N 377.469 3.371 0 1 GGAF O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F 95869215 BWPSJVHIGMZLPS-MSOLQXFVSA-N 396.453 3.170 0 1 GGAF N[C@H]1C[C@@H](N2Cc3cnc(C4CC4)nc3C2)CCO[C@@H]1c1cc(F)ccc1F 144195974 GYPVRZYIESKIEZ-ZAAXVRCTSA-N 386.446 3.195 0 1 GGAF C=CS(=O)(=O)N(C)CCN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 621485756 JRMSLQBBVPFSMC-UHFFFAOYSA-N 382.869 3.077 0 1 GGAF COC(=O)[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587370568 GJGAPDHTRVRFPC-GOSISDBHSA-N 390.233 3.373 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ncccn2)N1 587741021 FTEPOXGKCAIBDB-BTDLBPIBSA-N 393.260 3.156 0 1 GGAF Oc1cc(O)nc(SCc2nc3cc(Cl)cc(Br)c3[nH]2)n1 586966768 MRQLGGKFDXRBCB-UHFFFAOYSA-N 387.646 3.472 0 1 GGAF Nc1ccnc2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc12 587167283 KZSDGMSVZQISNF-UHFFFAOYSA-N 389.437 3.209 0 1 GGAF Cc1nccc2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc12 586941817 BXPWKXRIVICSHA-UHFFFAOYSA-N 385.276 3.094 0 1 GGAF O=C1COc2cc3[nH]c(-c4cccc(OCn5cc(Cl)cn5)c4)nc3cc2N1 587082068 JMKREDJHPUEVCW-UHFFFAOYSA-N 395.806 3.447 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1ccc(F)cc1)CC2=O 587466149 IVMAJFAVETUJFG-FQEVSTJZSA-N 392.448 3.389 0 1 GGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)cc1 586939707 RPRSKPZPENLOII-PIGZYNQJSA-N 387.465 3.030 0 1 GGAF COC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 587591544 VVTDGVXIAVFSRJ-UWJYYQICSA-N 379.368 3.384 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(OCCC(=O)O)c(OC)c1)[C@@H](C2)C3=O 587440881 IKJYDFSUQWHFQG-LHSJRXKWSA-N 384.384 3.046 0 1 GGAF O=C1CCc2cc3nc(-c4nc(Cl)cnc4Br)[nH]c3cc2N1 587005162 ACGQMHHFMOUKLH-UHFFFAOYSA-N 378.617 3.321 0 1 GGAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cnn(-c3ccccc3F)c2)N1 963239623 XNSRLGHTVDSKLQ-TZIWHRDSSA-N 388.402 3.248 0 1 GGAF O=C(O)CCCC[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 13730277 DNIRDJSPRXKYBT-OAHLLOKOSA-N 396.896 3.442 0 1 GGAF O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)C1CCCC1 13835819 IASYIMACMPYPDM-DEOSSOPVSA-N 393.531 3.240 0 1 GGAF Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN2CCc3ccccc32)c1 14971477 IYQYYEJBWONMDP-NRFANRHFSA-N 393.531 3.318 0 1 GGAF O[C@@H]1CN(C2CCN(c3ccccc3F)CC2)CC[C@H]1N1CCCCCC1 15063003 IVKABQZXCHQZMT-FGZHOGPDSA-N 375.532 3.106 0 1 GGAF Cc1ccc2c(c1)[C@@](O)([C@H]1C(=O)N(C)c3ccccc31)C(=O)N2Cc1ccccc1 203697268 GVRXNAUYJYEBQO-RCZVLFRGSA-N 398.462 3.490 0 3 GGAF COc1ccccc1Cc1cc(C)nn(CC(=O)Nc2ccccc2Cl)c1=O 1857597659 VJVAAGORFPGYGL-UHFFFAOYSA-N 397.862 3.443 0 1 GGAF Cn1c(=O)c2c(-c3ccccc3)c(N)c(-c3ccc(Cl)cc3)nc2n(C)c1=O 1857749896 CFSKCXZTKWTIND-UHFFFAOYSA-N 392.846 3.202 0 1 GGAF C[C@H](O)[C@@H](CCc1cccc(-c2nccs2)c1)n1cnc2c(N)ncnc21 1857753735 LXNVXZLABICFRT-SWLSCSKDSA-N 380.477 3.087 0 1 GGAF O=C(NCCCN1CCCC1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4048909 QHHLYNHMPVXOCG-UNMCSNQZSA-N 377.488 3.381 0 1 GGAF CN1C(=O)c2c(nc(CC3CC3)n2Cc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 12360805 PINUUICKORXFAF-SJORKVTESA-N 375.476 3.067 0 1 GGAF Cc1ccccc1N1C(=S)N[C@@H]2c3ccccc3O[C@@]1(C)[C@@H]2C(=O)N(C)C 13497267 WNRLPWIGXSHMCP-UEXGIBASSA-N 381.501 3.244 0 1 GGAF O=c1oc(NCc2ccccc2I)nc2ccccc12 13779173 SLAONJHUMVUGJM-UHFFFAOYSA-N 378.169 3.405 0 1 GGAF COc1cc([C@@H]2[C@@H]3Nc4ccccc4[C@@H]3C[C@@H]3CCC(=O)N32)cc(OC)c1O 26488024 MZSKXOJALGTISZ-QLCMSNKMSA-N 380.444 3.423 0 1 GGAF CN1CCC(N2C(=O)CN=C(c3ccccc3F)c3cc(N(C)C)ccc32)CC1 27766461 ZETCOAHWPRPOHZ-UHFFFAOYSA-N 394.494 3.170 0 1 GGAF COC(=O)[C@]1(c2ccc(OC)cc2)C[C@H]1CN1CCC(O)(c2ccccc2)CC1 28635839 HPDLWFJHJQWBLM-RDPSFJRHSA-N 395.499 3.110 0 1 GGAF COc1ccc([C@H]2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1 28818026 HVNNDZMWORMJPO-XMMPIXPASA-N 396.531 3.374 0 1 GGAF Cc1cc(O)c2c(c1)S(=O)(=O)N=C(Nc1ccccc1Br)N2 28822795 SEPLIUXYAAYEAK-UHFFFAOYSA-N 382.239 3.045 0 1 GGAF COc1cc2ncnc(N3CCN(Cc4ccc(F)cc4)CC3)c2cc1OC 28824580 ZJOTWAJZHISRRW-UHFFFAOYSA-N 382.439 3.108 0 1 GGAF O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1c(F)c(F)cc(F)c1F 40403005 HXPOTZZSXUMGTQ-UHFFFAOYSA-N 398.337 3.253 0 1 GGAF CCCCN(CCCC)C(=O)C[C@@H]1[C@H](O)CC[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO 44681562 JBZRBJLHXOKMBR-PAFPFUSMSA-N 397.600 3.352 0 1 GGAF biogenic c1ccc(-c2nnc(-c3cn(C4CCNCC4)nn3)nc2-c2ccccc2)cc1 45392543 PKZVLWSMEQTQDY-UHFFFAOYSA-N 383.459 3.389 0 1 GGAF CCNC(=O)Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 66258337 PICZSNSCGRFHTC-UHFFFAOYSA-N 395.503 3.118 0 1 GGAF O=C1NC[C@@]2(CCCNC2)c2[nH]c(-c3ccnc(-c4cc5ccccc5o4)n3)cc21 71341374 ALNWXNDKZNZXRC-QHCPKHFHSA-N 399.454 3.250 0 1 GGAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC[C@@H]2CCOC2)cn1 142564929 TXBHFYXLZAIJFF-INIZCTEOSA-N 393.443 3.390 0 1 GGAF O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3cccc(Cl)c3F)n2)ncc1F 207783985 CZQLBQGCAVFYDE-UHFFFAOYSA-N 389.749 3.268 0 1 GGAF CC(=O)OC[C@@]1([C@@H]2C[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]3(C)O2)O[C@@H]1CO 473087961 GWONDNYOBDCCGQ-TWMNLGNGSA-N 380.525 3.470 0 1 GGAF COc1cccnc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O 473098034 FDOYYZCWXGWLBU-CYBMUJFWSA-N 382.395 3.226 0 1 GGAF COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc(SC)cc1 473152850 WBFNNHFIGMRRQL-UHFFFAOYSA-N 391.884 3.197 0 1 GGAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnncc3[nH]2)C[C@H]2CCCC[C@@H]21 586958836 IXKNIMGPCJQPKE-BVGQSLNGSA-N 383.477 3.047 0 1 GGAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](N)Cc3cscn3)nc2c1 587028559 RUAVEYSMUUZABC-LLVKDONJSA-N 395.282 3.201 0 1 GGAF CCN1C(=O)C[C@@H](c2nc3c(O)nc(S)nc3[nH]2)[C@@H]1c1ccccc1Cl 587061448 MAEGEXJJOSIXQW-RNCFNFMXSA-N 389.868 3.078 0 1 GGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(F)cc(F)c2[nH]1 587120924 JHWYFZXFJOUNDE-UHFFFAOYSA-N 397.307 3.265 0 1 GGAF N=c1[nH]c2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc-2c(Cl)[nH]1 587163357 OZDQHYCFUGBOPW-UHFFFAOYSA-N 382.786 3.429 0 1 GGAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1 587259839 NBECABYILNUNJG-HNNXBMFYSA-N 378.436 3.146 0 1 GGAF O=C(c1c(CO)oc2cc(Br)cnc12)[C@H]1COc2ccccc2O1 587276714 TUPKHWJRDYKMRC-CQSZACIVSA-N 390.189 3.105 0 1 GGAF COC(=O)c1cccc2c1c([C@@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)cn2C 587432285 VXLCJWNWFXXRJE-SPLOXXLWSA-N 377.396 3.462 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOC1(CCOCC1)C2 587613732 YOKAJWJMDYYLNH-XMSQKQJNSA-N 382.412 3.452 0 1 GGAF Cc1nc(-c2ccc3c(C=O)c(O)ccc3c2)sc1C(=O)N1CCN(C)CC1 641719630 MCNPUZVCJKOYIZ-UHFFFAOYSA-N 395.484 3.177 0 1 GGAF COCCCN1CCc2ccc(OC)cc2[C@@]12CCc1c2ccc(OC)c1N 961327033 SMDXTZIRJPXKKM-QHCPKHFHSA-N 382.504 3.370 0 1 GGAF O=C(C[C@@]1(C2CC2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21)C(F)F 962980328 UGLACORHPCOICS-HWPZZCPQSA-N 379.737 3.047 0 1 GGAF Cc1cc(C)n(-c2nc(N3CCC[C@@H](O)C3)c3c4c(sc3n2)CCCC4)n1 1772586491 USTWLJNTHXXSSC-CQSZACIVSA-N 383.521 3.334 0 1 GGAF Cc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(CC2CCCCC2)n1 1857557290 LBTXRHYBGISSNY-UHFFFAOYSA-N 379.468 3.064 0 1 GGAF CCC(=O)/N=c1\c2c3c(ccc2cc2n1CCc1cc4c(cc1-2)OCO4)OCO3 1857580496 PQASMRLZJSXMIA-GHVJWSGMSA-N 390.395 3.159 0 1 GGAF COc1ccc(CCN=c2[nH]c(N3CCCC[C@H]3CO)nc3ccccc23)cc1 1857584073 WNPGUJQGPANLDT-SFHVURJKSA-N 392.503 3.066 0 1 GGAF CCCCSC(=S)N1CCN(C(=S)SC(=S)N(C)C)CC1 1857629120 VDVKHILDRGSLFX-UHFFFAOYSA-N 381.683 3.287 0 1 GGAF O=C(COc1cccc2c1CCN(Cc1ccccc1)C2=O)N1CCCCC1 2716331 YXJWVYTWZVVDFI-UHFFFAOYSA-N 378.472 3.276 0 3 GGAF CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1ccccc1Cl 7551080 BEMRHQHTHBAQEZ-MRXNPFEDSA-N 380.828 3.108 0 3 GGAF Cc1ccc(CN2C[C@@H](N3CCC(Cc4ccccc4)CC3)CS2(=O)=O)cc1 72136759 AXZAEWFGCVOHAV-HSZRJFAPSA-N 398.572 3.464 0 3 GGAF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 768976 OLMMJABXZMMTJB-WBVHZDCISA-N 376.840 3.160 0 1 GGAF Cc1cc(Nc2ncc3c(n2)N(C2CCC2)CC3)ccc1N1CCN(C)CC1 53201240 RMOQYDGYDXSLEM-UHFFFAOYSA-N 378.524 3.195 0 1 GGAF C[C@H](CN1CCN(C)CC1)Oc1c(Br)cccc1Br 103295516 PLHQXQUGSJBBTM-LLVKDONJSA-N 392.135 3.226 0 1 GGAF O=C(NC[C@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccsc1 27521701 BZBKMUBYKZFQOT-GOSISDBHSA-N 393.443 3.475 0 1 GGAF CN(CCc1ccccc1)C1CCN(C(=O)c2ccc3c(c2)NC(=O)CC3)CC1 26830408 ANKJWJIXGDRTCM-UHFFFAOYSA-N 391.515 3.350 0 1 GGAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 26174934 GZTBIVVIIVOAGD-DGWDJNBYSA-N 392.565 3.009 0 1 GGAF Cn1ccnc1CN1C[C@@H](F)[C@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 2356474019 YYOUCYJMORMNIC-IUODEOHRSA-N 397.376 3.054 0 1 GGAF CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OC[C@@H](CNCO)O3)cc1 28863851 OLYQRQMXWBSIPT-SSGOSMAHSA-N 396.487 3.315 0 1 GGAF COc1cccc2nc(C[C@H]3CN(C(=O)C(C)(C)C)CC[C@@H]3CC(=O)O)[nH]c12 2356753414 UZAHQUZPZDLPFH-KGLIPLIRSA-N 387.480 3.100 0 1 GGAF Cc1ccc2nc3n(c(=O)c2c1)-c1ncccc1C(=O)N[C@@H]3Cc1ccccc1 61921460 KAWBUAMBZDCJOU-LJQANCHMSA-N 382.423 3.116 0 3 GGAF COc1ccc2c(c1OC)CN1CCc3c(cc(OC)c(OC)c3OC)[C@H]1C2 14765549 ODXIINJWIDRSBL-QGZVFWFLSA-N 385.460 3.385 0 1 GGAF biogenic CC(C)c1ccc(CC(C)(C)NC[C@@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1 34997545 SEVCOLOSQHILBC-HXUWFJFHSA-N 398.503 3.491 0 1 GGAF CCCCCN1C(=O)[C@@](CC(N)=O)(c2ccc3c(c2)OCO3)c2ccccc21 71332089 NMASKDHVUOOYAM-QFIPXVFZSA-N 380.444 3.114 0 1 GGAF COC(=O)Cc1nnn2c1[C@@H](C)[C@@H](c1ccccc1Br)O[C@@H](C)C2 199723071 AIHMELIXKHVXPB-RVPKQNPDSA-N 394.269 3.020 0 3 GGAF Nc1cnc(-c2ccc(C3CCC3)c(OCCNc3cnccn3)c2F)cn1 224552081 OLOSIZLWNDAXQD-UHFFFAOYSA-N 380.427 3.413 0 1 GGAF Cc1ccc2c(O)c(C(=O)NC(=O)c3ccc4nc(C)ccc4c3O)ccc2n1 40401423 XIZYQNQKYZMKDD-UHFFFAOYSA-N 387.395 3.381 0 1 GGAF N[C@@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 43207081 OPTAOWZLDMSBKX-OAHLLOKOSA-N 392.484 3.086 0 1 GGAF Cc1cc(NC2CCN(Cc3ccccc3)CC2)nc(N2CCCN(C)CC2)n1 45353514 RGPHDUOBAQRQSZ-UHFFFAOYSA-N 394.567 3.003 0 1 GGAF CC[C@@H]1C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O1 83923594 VLXJANUFVJNWKB-HMGATUEFSA-N 382.497 3.401 0 1 GGAF in-vitro COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(C)=O)nn12 96933399 WPIPZOUMYNFJRO-UHFFFAOYSA-N 379.203 3.500 0 1 GGAF O=c1cc(N2CCc3n[nH]c(-c4ccncc4)c3C2)ccn1Cc1ccccc1 263620553 IKCMXTMBGDOSIP-UHFFFAOYSA-N 383.455 3.244 0 1 GGAF in-vitro CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(CCC(=O)OC)c1C)CC2=O 587474717 HDKVQTFDKKDPJV-SFHVURJKSA-N 386.448 3.428 0 1 GGAF CCC(=O)[C@@H]1C(=O)OC(C)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587829250 BMAWFDXRRJMIBL-AWBWRCJSSA-N 396.256 3.374 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(S)nc2O)N1 587842077 DAAXUKOYRRYLNA-NZFNHWASSA-N 384.274 3.170 0 1 GGAF CCS(=O)(=O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587039701 DSHFWJOBGZVVAB-QZTJIDSGSA-N 387.530 3.303 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cncc2c1NCCO2 587597135 SLFFAEPNBXAZLP-DYESRHJHSA-N 376.368 3.294 0 1 GGAF CCN1C=C(C(=O)O)[C@@]2(NCCc3ccc(F)c(C)c32)c2ccc(OC)cc21 962094425 SNGDVQXTBYSIAD-QFIPXVFZSA-N 382.435 3.340 0 1 GGAF S=C(Nc1ccc(Cl)cc1Cl)Nn1c(S)nnc1-c1cnccn1 1772631991 KSOXESFOSXUTAI-UHFFFAOYSA-N 398.304 3.271 0 1 GGAF Cc1cc(Nc2nc(C(=O)N3CCC(C)(N)CC3)nc3ccc(Cl)cc23)n[nH]1 1772628720 PKMWFIDMXWNNBV-UHFFFAOYSA-N 399.886 3.012 0 1 GGAF COc1ccccc1N1CCN(CCCCNC(=O)Cc2ccsc2)CC1 13740988 LYIGZCRGRLAFLT-UHFFFAOYSA-N 387.549 3.018 0 1 GGAF CCO[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O 13909846 FJENKDXEWRLENI-IBGZPJMESA-N 384.432 3.375 0 1 GGAF in-vivo CN(CCC1CCOCC1)C(=O)c1coc(CN2CCc3ccccc3C2)n1 19595206 RUEYDTCMFLBMTO-UHFFFAOYSA-N 383.492 3.122 0 1 GGAF Cc1nnn2c1-c1ccc(-c3nn[nH]n3)cc1N(c1ccc(Cl)cc1)CC2 1857747364 QDOKVLKQKZPGPG-UHFFFAOYSA-N 378.827 3.239 0 1 GGAF CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(N)cc3)cc2)ccc1N 210729063 HAXGKFMASQBUNA-UHFFFAOYSA-N 376.416 3.255 0 1 GGAF OCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1Cl 28644945 MBMHSKLUOSBVSW-UHFFFAOYSA-N 394.866 3.384 0 1 GGAF CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12 26567282 AMODXXNNQZEAJV-SFHVURJKSA-N 398.846 3.295 0 1 GGAF O=C([C@@H]1C[C@@H]1c1cccc(N2CCCCC2=O)c1)N1CCN(C2CCC2)CC1 113833873 GOTOYADHTXKQLS-NHCUHLMSSA-N 381.520 3.004 0 1 GGAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)NCCC(F)(F)F)O3)c1 61904577 SYSLVZJJXJATQK-MRXNPFEDSA-N 393.365 3.079 0 3 GGAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CCCCC3)[C@H](O)[C@H]2[C@@H]1C 2356533610 MAYBNQJIYGYBCP-GCYWZUCISA-N 392.584 3.399 0 1 GGAF O=C(CCO)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 40395114 DYOAUWNBCUNZFI-UHFFFAOYSA-N 392.242 3.073 0 1 GGAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc(F)cc3)n2)C1 82139344 DGYJMFOQLIUOPU-HOTGVXAUSA-N 398.482 3.237 0 1 GGAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F 82150843 IJGIBRNLAMGMBG-KXBFYZLASA-N 398.482 3.428 0 1 GGAF COc1cccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@@H](C)CN3)c1 82211084 LEUDNZBYRCUNMZ-HNNXBMFYSA-N 398.507 3.198 0 1 GGAF CN1CCC(Nc2ccc3ncc(-c4ccc(NCC5CC5)nc4)n3n2)CC1 96907648 JQVDWTIDMOFTDJ-UHFFFAOYSA-N 377.496 3.119 0 1 GGAF COc1ccc([C@@H]2C=C(c3nnn(Cc4ccccc4)c3C)NC(=S)N2)cc1 95575334 PRCSDEHUJMNLDY-SFHVURJKSA-N 391.500 3.203 0 1 GGAF O=C(O)[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)NI 32786345 VSWSDTLXDWESGZ-CQSZACIVSA-N 399.184 3.120 0 1 GGAF biogenic C[C@@H]1CN(CCNC(=O)CCc2ccc(O)cc2)CC[C@]1(C)c1cccc(O)c1 299808850 AEHFDSQYDTZIFK-KOSHJBKYSA-N 396.531 3.446 0 1 GGAF O=S(=O)(O)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587006200 AUULQXYMRZMQRV-UHFFFAOYSA-N 388.630 3.288 0 1 GGAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnc2cc(C(=O)O)nn12 587522375 FBQLIOMDCBCCCF-JOCHJYFZSA-N 391.427 3.495 0 1 GGAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 586964412 YZOTVDDXCNUXEJ-AWEZNQCLSA-N 388.449 3.406 0 1 GGAF CCOC(=O)[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585578 DRRQCRQLAYJGFD-GCJKJVERSA-N 391.379 3.207 0 1 GGAF O=C(CCc1nc2c(Cl)ccnc2[nH]1)Nc1nnc(-c2ccncc2)s1 587023747 GZFJAGBQFYUWAD-UHFFFAOYSA-N 385.840 3.096 0 1 GGAF COC(=O)c1ccnc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc12 587030144 ZNYURYVUXRNAJL-UHFFFAOYSA-N 390.428 3.266 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCO)cc1 587596394 OHVNYOVJXDLYMV-KNQAVFIVSA-N 378.380 3.466 0 1 GGAF CS(=O)(=O)[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587361265 SPRFRGMDCTXHNN-WSTZPKSXSA-N 390.432 3.226 0 1 GGAF Cc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N(C)C)n1 587759022 ZTNFJAKHIQHGQN-FVMDXXJSSA-N 379.277 3.376 0 1 GGAF COc1ncc(C)cc1[C@@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962719043 ZDUJNRIUQGONJV-LSDHHAIUSA-N 384.329 3.245 0 1 GGAF Cc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(C)c1 13560117 JERWIURWZNDAMC-UHFFFAOYSA-N 383.536 3.135 0 1 GGAF CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(OC(C)=O)c(-c3ccccc3)oc2c1 13604078 IIQZFVFIGAEZAD-UHFFFAOYSA-N 396.351 3.236 0 1 GGAF O=C1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1 13756503 JLZGJTDYTFJKQI-MDMHHNQBSA-N 380.488 3.099 0 1 GGAF COCCCOc1cccc([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1 169726015 YBDNSPCVDPDNBZ-MSOLQXFVSA-N 380.469 3.333 0 1 GGAF COc1ccc2c(c1OC)C(=O)O/C2=C\c1cc2c(cc1CCN(C)C)OCO2 1563221 WKXVSXLPAVDRQX-YVLHZVERSA-N 397.427 3.205 0 1 GGAF NC[C@@H]1CCc2c(sc3ncnc(Nc4ccc5[nH]c(=O)sc5c4)c23)C1 207137389 YTBUEPPLXHDKNK-SECBINFHSA-N 383.502 3.402 0 1 GGAF CCOc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)cc1 1857540034 SWUMAPGVOUTQNA-HXUWFJFHSA-N 388.370 3.013 0 1 GGAF Cc1ccc(S(=O)(=O)NC(=O)COc2ccc3cc(F)ccc3c2)c(C)c1 1857546879 SILFNWMNHKWRCN-UHFFFAOYSA-N 387.432 3.480 0 1 GGAF COc1cc(CN=c2nc3c(c[nH]2)CSc2ncccc2-3)cc(OC)c1OC 1857560825 GLXBVQSCVVSNHS-UHFFFAOYSA-N 396.472 3.204 0 1 GGAF O=C1Nc2ccc(Br)cc2C12CCN(c1ccc(Cl)nn1)CC2 1857601664 CIXSNDIDIMVCQD-UHFFFAOYSA-N 393.672 3.383 0 1 GGAF COc1ccc(-c2cc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1N 1857634834 REWYZUZFTAIBPH-UHFFFAOYSA-N 395.419 3.008 0 1 GGAF COc1cc2cc3n(c2c(OC)c1OC)CCN1C(=O)c2ccccc2N(C)[C@@H]31 221967341 MCRBCQRABCUSCX-OAQYLSRUSA-N 393.443 3.272 0 1 GGAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 3873166 JQYLIGHHVGCTPR-MHVGAEQCSA-N 384.520 3.495 0 1 GGAF O=C(/C=C/C1=CC=CN2N=C(c3ccccc3)C[C@H]12)N1CCCC[C@H]1CCO 13491873 VYLXLPRFXILGDM-YPTPAPEMSA-N 377.488 3.238 0 1 GGAF COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@@H]1[C@@H](O2)OC(C)(C)[C@@H]1O 14610769 LWPLUSZMJGIFAR-TYPHKJRUSA-N 380.396 3.440 0 1 GGAF biogenic COc1ccc(C(=O)c2c(C)n(C[C@@H]3CN(C)CCN3C)c3ccccc23)cc1 26280065 NRVXQBOCXORNKW-IBGZPJMESA-N 391.515 3.435 0 1 GGAF O=c1ccc(-c2ccccc2)nn1CCCCNC(=S)NC1CCCCC1 27215100 MRJWEKIVLJEMJM-UHFFFAOYSA-N 384.549 3.487 0 1 GGAF CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCc2ccoc2)[C@]23CCC[C@](C)(C(=O)OC2)[C@H]13 31159566 NRXALCWIVBLUAS-HQGXMBNISA-N 390.476 3.264 0 1 GGAF biogenic,in-vitro CCN(CCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1 34801027 FNHDODLEOOYUHU-HNNXBMFYSA-N 399.441 3.413 0 1 GGAF Cc1nc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)SCC3(F)F)c2)co1 43200410 AYYBFTWPIBNTMS-OAHLLOKOSA-N 384.383 3.286 0 1 GGAF O=c1[nH]ccc2nc(N[C@@H]3CCNC3)nc(Nc3cc(Cl)cc(Cl)c3)c12 45168517 VSDJPSOMFBJWMR-LLVKDONJSA-N 391.262 3.142 0 1 GGAF Cc1cc(N2CCCN(C)CC2)nc(NC2CCN(Cc3ccccc3)CC2)n1 45375325 WGTJTFTZGSLEBP-UHFFFAOYSA-N 394.567 3.003 0 1 GGAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1 82132535 HHTRJDWWRCFYSQ-APWZRJJASA-N 380.492 3.289 0 1 GGAF COc1nc(C)c(Nc2nc(Cl)cn([C@H](CCF)C3CC3)c2=O)c(OC)n1 95602964 YLHGXHYLULPERQ-LLVKDONJSA-N 397.838 3.067 0 1 GGAF O=C(c1nc2cccc(Cl)c2[nH]1)N1CC(c2nccnc2-c2cccnc2)C1 140190153 YRTJUFPNLVAYMT-UHFFFAOYSA-N 390.834 3.308 0 1 GGAF CC(=O)NCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1 146523844 NBYGAGVGVRHCHX-UHFFFAOYSA-N 382.855 3.484 0 1 GGAF O=C(c1cc2cccc(Cl)c2[nH]1)N1CCN(CCOc2cccnc2)CC1 205942340 AIEYTUOHPYHFSW-UHFFFAOYSA-N 384.867 3.053 0 1 GGAF O=C1CC=C(c2nc3cc(C(F)(F)F)cnc3[nH]2)NN1Cc1ccc(F)cc1 587164012 QBFJFTHGGRUMBG-UHFFFAOYSA-N 391.328 3.394 0 1 GGAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(F)cc(F)c2[nH]1 587201954 DMIBGFLNXCPFQX-CQSZACIVSA-N 375.331 3.283 0 1 GGAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587260009 QAFBPVMHCBBXOP-LBPRGKRZSA-N 393.672 3.320 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C2)C3=O 587433005 OEKWGRZBMLEASO-HTAPYJJXSA-N 394.427 3.189 0 1 GGAF CC(C)(C)OC(=O)N1CCC(C(=O)n2ncc3ccc(Cl)cc3c2=O)CC1 587654264 JQAVDQQBQDAWNE-UHFFFAOYSA-N 391.855 3.337 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CN(C)N[C@H]2C(F)(F)F)N1 587723070 VEYIADAPUFEAHQ-ILQPCQBLSA-N 396.226 3.161 0 1 GGAF COc1ccccc1[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587805754 HPJDCLKRMFAPPQ-MLCYQJTMSA-N 394.240 3.459 0 1 GGAF COc1cc2c(cc1OC)[C@H](c1ncc(Br)cn1)N(C)[C@H](C)C2 962628448 MHZKBIDTFKLRBJ-QLJPJBMISA-N 378.270 3.222 0 1 GGAF c1ccc([C@@]2([C@H]3CCNC3)c3ccsc3CCN2Cc2cccnc2)nc1 962996232 HRRSQMOQKLXDRT-PGRDOPGGSA-N 376.529 3.450 0 1 GGAF OC[C@H]1CCCCN1c1nc2ccccc2c(=NCCc2ccccc2F)[nH]1 1857547977 SWWJEWNDUOAVLA-QGZVFWFLSA-N 380.467 3.197 0 1 GGAF COc1ccccc1CC(=O)N1N=C(c2ccccc2C)C[C@]1(O)C(F)(F)F 1857637163 BQQUHDACNAKOGU-IBGZPJMESA-N 392.377 3.434 0 1 GGAF Cn1cncc1-c1ncc(-c2ncc(-c3ncc(-c4ccccc4)n3C)n2C)n1C 1857756926 JYKZQFAVSJPBQM-UHFFFAOYSA-N 398.474 3.289 0 1 GGAF CC(=O)O[C@H]1[C@H]2[C@H]3[C@@H]4O[C@@H]2C=C(C)[C@@H](O)CC[C@@]4(C)OC[C@@H](C)[C@H]3C[C@H]1C 2356635971 QQUBMUOPSYDXCO-DIXYHYHBSA-N 378.509 3.100 0 1 GGAF CC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)c1csnn1)c1ccccc1 4964599 KIVUAWGSHHQPHH-INIZCTEOSA-N 384.461 3.434 0 3 GGAF O=C(N[C@@H]1CCOC1)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12299476 YGKYWGHAFLIFRS-OAQYLSRUSA-N 394.515 3.291 0 3 GGAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2cccs2)O3)c1 61928407 ZTULGOBPAFZQGN-LJQANCHMSA-N 393.468 3.388 0 3 GGAF CC(C)(C)N1Cc2nnn(Cc3ccccc3)c2-c2ccccc2S1(=O)=O 96019966 PTSDOEDZHWBDIY-UHFFFAOYSA-N 382.489 3.296 0 3 GGAF COc1cccc([C@H]2C[C@H](C(F)(F)F)N3NC=C(C(=O)NC(C)(C)C)C3=N2)c1 104010014 OPFPOCVGCULJDO-HUUCEWRRSA-N 396.413 3.088 0 3 GGAF CC[C@H](C)N(C(=O)CN1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21)[C@@H](C)CC 263590366 VFOSSRYLAFVDMP-ZWOKBUDYSA-N 399.535 3.454 0 3 GGAF Cc1nccn1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1 103249679 RABGAMCZUITRKF-GFCCVEGCSA-N 379.399 3.018 0 1 GGAF Fc1cc(Cl)ccc1CN1CCC(NC2[C@@H]3CC4C[C@@H]2CN(C4)C3)CC1 101631341 YMBUIWRLRIBYNI-ABLWEVDZSA-N 377.935 3.373 0 1 GGAF Cc1cccc(C)c1NC(=O)CSc1nnc(Cn2nnc3ccccc32)o1 103207056 XKWWXHPEDWHOIF-UHFFFAOYSA-N 394.460 3.210 0 1 GGAF CCN1C(NCCCOC(C)C)=N[C@@H](c2ccccc2)[C@H](C(=O)OC)[C@@H]1C 66156729 YDRNLDNTYMCTTD-UHOSZYNNSA-N 375.513 3.002 0 1 GGAF O=C(NCc1ccc(F)cc1)c1cc([C@@H]2CCCCN2C(=O)OCCF)on1 61906798 NSGPGIBYEVOGQO-INIZCTEOSA-N 393.390 3.377 0 3 GGAF COc1ccc([C@@H]2[C@@H](C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1OC 66259195 QCECQIBLQLWIIR-BLVKFPJESA-N 387.432 3.454 0 1 GGAF COC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(C)C[C@H](c3ccccc3)N(C)CCN12 2356834549 KCKDVBHHSKMPEC-OFNKIYASSA-N 392.503 3.397 0 1 GGAF CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 49051769 PSAAADXYVOOEGH-UHFFFAOYSA-N 398.551 3.299 0 1 GGAF CN(C)CCCCOC(=O)CNC(=O)c1coc(-c2ccc3ccccc3c2)n1 82084987 NHTGJPMBGNJKJL-UHFFFAOYSA-N 395.459 3.110 0 1 GGAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN[C@@H]2CCC[C@@H](N3CCCC3)[C@H]21 144398359 LWDJYEJRZVMWMH-GGPKGHCWSA-N 396.362 3.353 0 1 GGAF Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCCC3)n2)cc1Cl 148088409 QUGFVMNOCMLPOA-IGOJGBNBSA-N 399.926 3.340 0 1 GGAF CCCNC(=O)N1[C@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CNC(=O)CC 95894980 WDWRNSXHAWCLRQ-VWPQPMDRSA-N 399.535 3.028 0 1 GGAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1F 261177374 VEPXWJMZPIAZHG-BNOWGMLFSA-N 381.469 3.208 0 1 GGAF CC[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)N[C@H](CO)CC(C)C 36368012 KJTADFQBHYXEKD-KPFFTGBYSA-N 392.515 3.227 0 1 GGAF biogenic C[C@]12CC[C@@H]3[C@H]4CC[C@@](C)(O)C[C@@H]4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)Cn1cnnn1 299852457 SINAJPKUKOSXOT-HVOJCETBSA-N 386.540 3.262 0 1 GGAF Cn1nc(Nc2nc(-c3cn[nH]c3)nc3c2COC3(C)C)c2cccc(F)c21 653710186 FUHKGVKQAGCDHW-UHFFFAOYSA-N 379.399 3.401 0 1 GGAF Clc1c[nH]c2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc-2n1 587018754 NQDJFRSCAOFERL-UHFFFAOYSA-N 385.836 3.443 0 1 GGAF Cc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1Cl 587134931 WTIYEYDFXCGIIL-UHFFFAOYSA-N 389.786 3.421 0 1 GGAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ncccc32)[C@H]1c1ccc(F)cc1 587350832 SHYFBZZBNIBFPX-UWJYYQICSA-N 376.343 3.133 0 1 GGAF COc1ccc(OC)c2c1CCC[C@@]21NC[C@@H]2CC(=O)N(C)c3cccc1c32 963030208 QBFUYNDXAPUALR-PSLXWICFSA-N 378.472 3.337 0 1 GGAF C[C@@]1(c2cccc3c2OCO3)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962694465 HHEMUETWQSQYPZ-KSSFIOAISA-N 397.324 3.436 0 1 GGAF Cc1cc(-c2cn(-c3ccc4c(c3)CC[C@](N)(CO)C4)nn2)ccc1OC(C)C 1772607049 DBUZIKAUDIZNHO-HSZRJFAPSA-N 392.503 3.208 0 1 GGAF CC(=O)c1ccc(OCCCCCCN2CCN(c3ncccn3)CC2)cc1O 1772615643 PWIWQGGYKQXZOB-UHFFFAOYSA-N 398.507 3.146 0 1 GGAF CC1(C)OC(=O)N([C@H]2CC[C@H](NC(=O)c3ccncn3)CC2)[C@H]1c1ccccc1 1772622958 KMOPXYVEABWGKK-LNLFQRSKSA-N 394.475 3.490 0 1 GGAF C[C@@]1(O)OC(=O)C(c2ccc3ccccc3c2)=C1c1ccc(S(C)(=O)=O)cc1 12352431 CHUNHRFIWQZFCI-JOCHJYFZSA-N 394.448 3.419 0 1 GGAF COC(=O)CCCCC[C@@H](CNS(=O)(=O)c1ccccc1)c1cccnc1 13730290 RCQHSAAMCKZBMQ-SFHVURJKSA-N 390.505 3.267 0 1 GGAF CCN(C(=O)C1=CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1)C1CCCCC1 13807997 TZKFVMMBROSMHD-LJQANCHMSA-N 396.535 3.104 0 1 GGAF COc1cc(OC)cc(N(CCO)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1 204145664 NOCCEPOVUSRFDS-UHFFFAOYSA-N 391.431 3.168 0 1 GGAF O=C(c1ccnc2ccc(OC3CCC3)cc12)[C@@H]1C[C@@H]2CCN1C/C2=C\CO 1857535130 NZDPXOWKPVNLGS-IOUYFSFZSA-N 378.472 3.362 0 1 GGAF O=C(O)CCc1ccc(CCNC(=O)c2ccccc2Br)cc1 103299066 FJVCNRJJXJDOIG-UHFFFAOYSA-N 376.250 3.439 0 1 GGAF COc1ccc(COC[C@H](Cn2ccnc2)OCCCCCC(=O)O)cc1 29482210 RWUWYLCTALMPPI-IBGZPJMESA-N 376.453 3.139 0 1 GGAF OCCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 27657921 ANCSFOBRSUSSQH-UHFFFAOYSA-N 375.463 3.103 0 1 GGAF COCCN1C(=O)[C@H]2C[C@@H](CN2Cc2ccc(Cl)cc2)Oc2ccccc21 2356302401 UOPZEAUUZLCMJE-PKOBYXMFSA-N 386.879 3.355 0 1 GGAF O[C@@H](CCN1CCN(c2ccc(Cl)cc2)CC1)COc1ccc(F)cc1 29484592 HBWOIOQZXNYDHH-IBGZPJMESA-N 378.875 3.431 0 1 GGAF C/C(=C\Cc1cc(C(=O)O)ccc1O)CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1 38967106 UEDBFLUWLOXTGA-GOSGHHOWSA-N 392.492 3.429 0 1 GGAF CCOC(=O)Cc1cnc(Nc2cc(OC)c(OC)c(OC)c2)nc1Cl 40564121 ZDYQJRGXZWQGOS-UHFFFAOYSA-N 381.816 3.005 0 1 GGAF CCCCc1cnc(SCC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nc1 84632729 BSHBCNATGITOOW-UHFFFAOYSA-N 399.925 3.095 0 1 GGAF O=C(Nc1ncc(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1 198913462 MVBFSJSJFOVMBM-UHFFFAOYSA-N 395.412 3.043 0 1 GGAF CCCCO[C@H]1C[C@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40412916 RTGSUFNIQMVPQC-BBRMVZONSA-N 380.876 3.481 0 1 GGAF CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 299875433 CYGBEFLDXZSMEE-YQQAZPJKSA-N 378.881 3.380 0 1 GGAF COc1cc(OC)c2[nH]c([C@H](CC(=O)O)NC(=O)OCc3ccccc3)nc2c1 587201866 CNCWEMLTVLDATF-HNNXBMFYSA-N 399.403 3.022 0 1 GGAF CC(C)=CCC/C(C)=C\c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587967770 MKGKXYJVCWWWHR-SDXDJHTJSA-N 396.535 3.463 0 1 GGAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)c(F)cc2[nH]1 586962015 NKQOAVKEIRWQHZ-RXMQYKEDSA-N 384.234 3.396 0 1 GGAF Cc1cc(-c2nc3cc(CO)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125198 OPFBXMYSDOKQIW-UHFFFAOYSA-N 385.367 3.292 0 1 GGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cccc(C(=O)OC)c3[nH]2)c1 586931125 WGKFPMHSLASNCW-UHFFFAOYSA-N 387.461 3.047 0 1 GGAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCOCC3)nc1)CC2=O 587473861 CGBXCLBCTDGDHP-QFIPXVFZSA-N 382.460 3.457 0 1 GGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 587230103 FISUEEIFAAPCKR-NWDGAFQWSA-N 385.386 3.498 0 1 GGAF O=C(c1ccc2nccnc2c1)c1c(CO)oc2cc(Br)cnc12 587275487 BYIYIOBOXXOAJX-UHFFFAOYSA-N 384.189 3.257 0 1 GGAF COC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1OC 587175202 QXLKJCOVDVNLLM-AWEZNQCLSA-N 382.395 3.221 0 1 GGAF C[C@]1([C@H]2C=C(C(=O)O)NN2c2ccccc2)c2c(F)cccc2C[C@@H]2CCCN21 963103659 LUWVXDGEZYVJFP-WGGBDISSSA-N 393.462 3.423 0 1 GGAF COc1cc([C@@H]2NCCc3cc4cccc(OC)c4nc32)c(OC)cc1C=O 963059976 VXPLGSCEWXPCIV-QFIPXVFZSA-N 378.428 3.308 0 1 GGAF Cn1c([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)nc2ccc(Cl)cc21 963224453 CJFAEPFUHTZTIH-IEBWSBKVSA-N 392.846 3.463 0 1 GGAF CCCc1cc(C(=O)N2CC[C@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)n[nH]1 1772618771 YFFSYLDTZXRIBZ-HNNXBMFYSA-N 378.480 3.096 0 1 GGAF Nc1ncnc2c1c(-c1ccc3c(c1)NCCO3)nn2C1Cc2ccccc2C1 1772578924 HULMMPQKMKRDCX-UHFFFAOYSA-N 384.443 3.220 0 1 GGAF O=C(O)CCCC[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 13730274 DNIRDJSPRXKYBT-HNNXBMFYSA-N 396.896 3.442 0 1 GGAF COc1cccc(NC(=O)C[C@@]2(C)N=C(c3cc(F)ccc3F)N(C)O2)c1 205221830 QGMSFGHWHCTTMB-IBGZPJMESA-N 375.375 3.342 0 3 GGAF O=C(c1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21 6576829 LSGCURXUUXADFZ-WJFTUGDTSA-N 394.858 3.175 0 1 GGAF Cc1ccnc(NC(=O)NS(=O)(=O)[C@@H]2CCCCCCCCCCC2=O)n1 103176023 XBWCFIZWQKRRDO-MRXNPFEDSA-N 396.513 3.089 0 1 GGAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccccc2)O3)cc1 61929570 YUPMKLMHZPJCGW-OAQYLSRUSA-N 387.439 3.327 0 3 GGAF CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)[C@H]1[C@H](O)c1ccccc1 49601584 GZVCWRAFPVCGPA-NHCUHLMSSA-N 397.434 3.246 0 1 GGAF Cn1cc(-c2cc(C(=O)N3CC3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144840990 SACVXOASCGJTLQ-HXUWFJFHSA-N 399.372 3.322 0 1 GGAF O=C1[C@@H]2CCCN2C(=O)N1CCCCNCCOc1cccc2ccccc12 96933068 ZMRXTQYKNAYPGF-IBGZPJMESA-N 381.476 3.015 0 1 GGAF Nc1nccn2c1c(-c1ccc([C@@H](O)c3ccccc3)cc1)nc2[C@H]1C[C@@H](O)C1 261101268 GJWQHNJZNBLTFJ-UEXGIBASSA-N 386.455 3.299 0 1 GGAF Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1ccccc1Cl 299839490 YHXJSUYRGXKZMF-UHFFFAOYSA-N 394.818 3.018 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(F)cc12 587727853 DPZQLZJUCSGJJD-WNWIJWBNSA-N 379.204 3.457 0 1 GGAF Cc1nn(C)c(N2CCOCC2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516057 QMGAERLWIDHWBN-LJQANCHMSA-N 381.476 3.150 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1sc(N4CCOCC4)nc1Cl)[C@@H](C2)C3=O 587453799 ZPVBAEIKMRZUKZ-NHYWBVRUSA-N 392.864 3.130 0 1 GGAF COc1ccc(OC)c([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c1 587399303 JYWAEGILAMXISM-OAQYLSRUSA-N 385.416 3.320 0 1 GGAF CCOC(=O)[C@@H]1CSC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587859664 YCTOQVBFTKTWOS-QEKSWQHZSA-N 388.302 3.244 0 1 GGAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)NC)cc1)CC2=O 587487048 MSSCTWZDMTZSLY-FQEVSTJZSA-N 389.473 3.133 0 1 GGAF CCC[C@]1(CC(=O)C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594313 GJUSCGKPGVJRIG-PGRDOPGGSA-N 398.411 3.415 0 1 GGAF COc1cc(C)c(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 587936715 MKJYRWYBNPNJJH-UHFFFAOYSA-N 380.286 3.014 0 1 GGAF COc1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594581 LWPKTWYVKOKEQZ-GCJKJVERSA-N 389.363 3.210 0 1 GGAF O=C1CN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CCN1 587516119 XXIBHDUWJIUGDO-NRFANRHFSA-N 376.456 3.208 0 1 GGAF COc1ncc([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cc1F 962703585 MFDYBVUIVMMRCT-KGLIPLIRSA-N 388.292 3.076 0 1 GGAF COc1cccc(CN2CCN(C(=O)c3oc4c(F)cccc4c3C)CC2=O)c1 11997505 ICEPYSGLLLIZPO-UHFFFAOYSA-N 396.418 3.374 0 3 GGAF COc1ccc(C(=O)c2c3n(c4ccccc24)C[C@@H](N2CCOCC2)C3)cc1 13447488 XZAHMWRMOCOQHB-KRWDZBQOSA-N 376.456 3.138 0 1 GGAF FC(F)(F)COc1ccnc(Nc2ccc([C@H]3CNCCO3)c(Cl)c2)n1 150014905 UFOKMZVILKGJDI-CYBMUJFWSA-N 388.777 3.476 0 1 GGAF O=C1CC(Nc2ccccc2Nc2ccc(Nc3ccccc3F)nn2)=NN1 169310455 UZLXRTMCHPCYLT-UHFFFAOYSA-N 377.383 3.348 0 1 GGAF CCN(CC)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2cc(C)ccc12 49067635 LECVUDBRIFGWJY-UHFFFAOYSA-N 395.488 3.265 0 1 GGAF COc1ccc(COC[C@@H](Cn2ccnc2)OCc2ccc(C(=O)O)cc2)cc1 1626086 HZUHJKIQXMNCDR-OAQYLSRUSA-N 396.443 3.392 0 1 GGAF CCCN1CCN(C(=O)c2ccc(C[S@](=O)c3cccc(Cl)c3)o2)CC1 6895291 RHVXWGFZNCEHAK-AREMUKBSSA-N 394.924 3.409 0 1 GGAF O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CCCN1CCc2ccccc2C1 103172560 GGQWIHGMJUWMCM-XMMPIXPASA-N 389.499 3.218 0 1 GGAF COc1ccc(CS(=O)(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 28965723 HPJZYIDSCXVZDE-MDZDMXLPSA-N 378.446 3.307 0 1 GGAF O=C(O)CCCNC(=O)[C@@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)O 26509011 QJELJDHYIVQIJV-VQTJNVASSA-N 397.471 3.160 0 1 GGAF CC1(C)OC(=O)C(Oc2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1 26935123 MTPQCSUYJXVPPH-UHFFFAOYSA-N 376.405 3.355 0 1 GGAF CCCNC(=O)c1nnc2c(-c3ccc(OC)cc3OC)c(F)ccc2c1N 60245190 UMBHXQNJEMMKIG-UHFFFAOYSA-N 384.411 3.175 0 1 GGAF CCN(CC)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccc(C(C)=O)cc1 2356536287 IAIXIPGZOLXHSE-ZJOUEHCJSA-N 386.540 3.063 0 1 GGAF CCCN(CCN1CCN(c2ccncc2)CC1)[C@H]1CCc2ccc(O)cc2C1 64415807 JBAHBJRMOBCAFP-QHCPKHFHSA-N 394.563 3.179 0 1 GGAF CN(Cc1ccccc1)C(=O)C[C@H]1CCCCN1c1ccnc(-n2ccnc2)n1 35275448 KVYHMAVXYYJCLV-LJQANCHMSA-N 390.491 3.070 0 1 GGAF COc1ccc(C2(NC3=NS(=O)(=O)c4sc(Cl)cc4N3)CC2)cc1 35859447 JTTDELZQOXLBFP-UHFFFAOYSA-N 383.882 3.159 0 1 GGAF CN1CCCN(CCCCNC(=O)c2ccccc2)C(=O)C[C@H]1c1ccccc1 15147699 UXNVPQWNJBVNCO-QFIPXVFZSA-N 393.531 3.492 0 1 GGAF biogenic O=S(=O)(CCC(F)(F)F)N1CCC(c2nc(-c3cccs3)no2)CC1 71329343 NVIPPFXJLRKERX-UHFFFAOYSA-N 395.428 3.260 0 1 GGAF CN1C(=N)N[C@@](c2ccncc2)(c2cccc(-c3cccc(F)c3F)c2)C1=O 49125784 GIDCLQLMYYYDAO-NRFANRHFSA-N 378.382 3.267 0 1 GGAF Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2Cl)C3)cs1 95565110 MIQZEFLSLWWDJK-UHFFFAOYSA-N 377.832 3.159 0 1 GGAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(-c3ccccn3)no2)n1 142083626 KACVVUGWNPNASY-GXTWGEPZSA-N 395.423 3.076 0 1 GGAF COc1cc2cc3c(cc2c2c1-c1ccc4c(c1[C@H](O)N2C)OCO4)OCO3 238730803 QRCWKBAFKDYSFR-NRFANRHFSA-N 379.368 3.414 0 1 GGAF COC(=O)c1noc(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795362 ODNSTSKQAOFYHN-QPFGOUBPSA-N 397.244 3.469 0 1 GGAF COC(=O)C(=O)C[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810698 VQTNMUVJSZJPFN-QGHHPUGFSA-N 386.261 3.106 0 1 GGAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 586973007 LYNQHKRXNJFWHP-CYBMUJFWSA-N 395.410 3.434 0 1 GGAF Brc1cnc2c(-c3nc4c(Br)ccnc4[nH]3)cnn2c1 587006374 MDSXIZFYEXQBRJ-UHFFFAOYSA-N 394.030 3.193 0 1 GGAF Sc1nc(S)c2nc(-c3cccn4c(Br)cnc34)[nH]c2n1 587007373 JLSPRAYLYAOYFV-UHFFFAOYSA-N 379.268 3.008 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(F)c(F)cc12 587570422 KOTSXEFIJTYYPN-DYESRHJHSA-N 395.317 3.480 0 1 GGAF COc1ccc([C@]2(CCn3cncn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587389685 CFQNFDAJDVAESR-NRFANRHFSA-N 378.432 3.128 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C[C@H](C(=O)O)Oc4ccc(Cl)cc41)[C@@H](C2)C3=O 587423037 SPSGCRUQGHUNSW-OWZDWXTDSA-N 386.787 3.227 0 1 GGAF C=C1NN(CC(=O)c2ccccc2)C(=O)c2nn(-c3ccccc3F)c(C)c21 957644943 ZWWJNDIWDSLDBG-UHFFFAOYSA-N 376.391 3.134 0 1 GGAF C[C@H](O)[C@]1(c2ccco2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963169054 GRZHNRJJFDABQN-LFZOIZTFSA-N 389.757 3.175 0 1 GGAF O=C(O)c1ccc2c(c1)[C@]1(C(=O)N2)c2cccc(F)c2CCN1[C@H]1CCSC1 962716831 WNKZKPJVFNARBL-ZSEKCTLFSA-N 398.459 3.083 0 1 GGAF c1ccc(C2(c3ccccc3)COC[C@H](CNCCOc3ccccn3)O2)cc1 1772653937 KEMLNXFOLRBJAU-QFIPXVFZSA-N 390.483 3.409 0 1 GGAF COc1ccc(-c2cc3c(c(OC)c2)OCCN(C(=O)C2CC2)C3)cc1C=O 1772607182 SDRABADEYFPPGF-UHFFFAOYSA-N 381.428 3.314 0 1 GGAF Cc1nc2cnccc2n1CC1CCN(C(=O)CN(C)c2ccccc2)CC1 13745869 AXDFFDYJNCWPAV-UHFFFAOYSA-N 377.492 3.115 0 1 GGAF Cc1nc2cnccc2n1CC1CCN(C(=O)/C=C/c2ccc(N)cc2)CC1 13863940 SEVAOMXPKCFDQN-QPJJXVBHSA-N 375.476 3.274 0 1 GGAF Cc1ccc(-c2noc(C3CC(O)C3)n2)cc1NC(=O)c1cnc2ccccn12 206111153 OOIDLNOVKHBOSA-UHFFFAOYSA-N 389.415 3.183 0 1 GGAF O=C(Cc1ccccc1)N1N=C(c2cccc(F)c2F)C[C@]1(O)C(F)(F)F 1857638091 GNAQYKGESZKCBB-KRWDZBQOSA-N 384.304 3.395 0 1 GGAF O=C(O)c1ccnc(-c2cn(CCN(Cc3ccc(F)cc3)C3CC3)cn2)c1 214011164 SGSDGKOZKXKUJL-UHFFFAOYSA-N 380.423 3.447 0 1 GGAF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC 4051595 UQYSELMHEXNYNV-WOIRZILMSA-N 396.487 3.310 0 1 GGAF COc1ccccc1N1CCN(CCCCn2c(=O)oc3ccccc32)CC1 5798524 LYFIWEIPIISOAR-UHFFFAOYSA-N 381.476 3.206 0 1 GGAF CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)CO 5821950 KZRFFIVMBRBAAB-LTAPFBACSA-N 382.541 3.342 0 1 GGAF Cc1ccccc1CNC(=O)CCC(=O)N1C[C@@H]2CCCN2c2ccccc21 6914794 UDUPRPULMOJNRO-IBGZPJMESA-N 377.488 3.407 0 1 GGAF CC(=O)c1cc(C(=O)N2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)cs1 12112291 AETOIUFLOYPZMI-SFHVURJKSA-N 398.484 3.267 0 1 GGAF CCCCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O 13782366 VQOFRAUEWAFOEI-UHFFFAOYSA-N 389.515 3.155 0 1 GGAF CCCCC[C@@H](O)/C=C/[C@]1(F)[C@@H](O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)OC 26014919 SAPVVWIRDUFLIQ-NGCGYJHNSA-N 386.504 3.223 0 1 GGAF CCCCC[C@H](O)/C(F)=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 26022302 FPWBUVYXSURCBY-CYWDIKGBSA-N 386.504 3.429 0 1 GGAF COc1ccc(-c2nc([S@@](=O)CC(C)=O)[nH]c2-c2ccc(OC)cc2)cc1 28218272 KEHWOWSWOLFMBF-HHHXNRCGSA-N 384.457 3.458 0 1 GGAF CN(C)CCc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1 38544696 DDXUKRBTIMUEPW-UHFFFAOYSA-N 376.439 3.284 0 1 GGAF O=C1N(c2ccccc2)c2nc(-c3ccccc3)n3c(=O)[nH]nc3c2[C@@H]2CCCN12 45255540 RZXKOEKWWWZGLD-INIZCTEOSA-N 398.426 3.493 0 1 GGAF CC1(C)OC(c2ccc(S(N)(=O)=O)c(Cl)c2)=C(c2ccccc2)C1=O 78036475 QKHJLAMJWWSUNE-UHFFFAOYSA-N 377.849 3.234 0 1 GGAF CCCCc1nc2nc(N(C)CCc3ccc(OC)c(OC)c3)ccc2[nH]c1=O 82231728 WYHHFPLLYJZONF-UHFFFAOYSA-N 396.491 3.357 0 1 GGAF CCOC(=O)N1[C@H]2CC[C@@H]1CC(N1CCC[C@H](NC(=O)c3ccccc3)C1)C2 84615471 OHFJWWZZUQRDMV-GURQWTFNSA-N 385.508 3.033 0 1 GGAF CCCNC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)CC 95598915 YRDHNJKOBIPBLO-RZUBCFFCSA-N 399.535 3.028 0 1 GGAF CC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 95873940 ZFJSDRDQKLPFMQ-KMDXXIMOSA-N 378.516 3.433 0 1 GGAF O=C(C1CCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 95893474 BIRAUTLKEYTQRA-FDFHNCONSA-N 390.483 3.193 0 1 GGAF Cn1cnc2cc(-c3ccc(C4CCNCC4)c(F)c3)nc(NC3CC3)c2c1=O 115626221 FCUHYSIFSFRYNN-UHFFFAOYSA-N 393.466 3.176 0 1 GGAF C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C)c(NC5(C)CCC5)nc34)[nH]c21 223434519 JTYPMPKUWKZGBR-LLVKDONJSA-N 377.448 3.088 0 1 GGAF O=C1[C@@H]([C@H](O)c2ccc(O)cc2)[C@H](c2ccc(O)cc2)N1c1ccc(O)cc1 299827977 PPERDSQDOUJFTE-QHAWAJNXSA-N 377.396 3.241 0 1 GGAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(F)c(Br)c2[nH]1 586961062 FGEWZKIZTFLJFF-RXMQYKEDSA-N 384.234 3.396 0 1 GGAF COc1cc(Br)c([C@H](N)c2nc3c(C)ccnc3[nH]2)cc1OC 586977202 YZNJKRUYAZUUCN-ZDUSSCGKSA-N 377.242 3.094 0 1 GGAF C[C@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)n1cc(Cl)cn1 587078979 DHMFFAOAJNFFEJ-SSDOTTSWSA-N 378.763 3.316 0 1 GGAF COC(=O)c1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1OC 587156986 QDZOTFFDVKCINQ-HXUWFJFHSA-N 383.379 3.288 0 1 GGAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2cnccc2[nH]1)c1ccc(F)cc1 587169978 LYQQJBIRPZSYQC-SFHVURJKSA-N 382.420 3.165 0 1 GGAF COc1ccccc1NC(=O)[C@@H](N=O)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587389205 JHKPCQZDMKQOIY-QUCCMNQESA-N 383.404 3.083 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1sc(N4CCOCC4)nc1Cl)[C@@H](C2)C3=O 587453802 ZPVBAEIKMRZUKZ-XHDPSFHLSA-N 392.864 3.130 0 1 GGAF COC(=O)C(=O)C[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592746 KAORUHTVQFPGPS-VGSWGCGISA-N 398.411 3.271 0 1 GGAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc2nccn2n1 587659213 ZOVPPPNDSTVMLD-UHFFFAOYSA-N 375.338 3.374 0 1 GGAF CN=c1[nH]c(SC)ncc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587845968 PDISTUFWMWBVAR-CLAHSXSESA-N 397.317 3.187 0 1 GGAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1cc(O)ccc1F 963141836 JSLVVUZHYCPKOI-UONOGXRCSA-N 394.424 3.324 0 1 GGAF CN1CCN(C[C@@H](OC(=O)c2ccc3ncccc3c2)c2ccccc2)CC1 1857756555 KQSSHDVTSGWPBS-JOCHJYFZSA-N 375.472 3.380 0 1 GGAF COc1ccc(-c2noc([C@H](C)NC(=O)COc3ccccc3)c2C(=O)O)cc1 2356480820 SPTZQVSOHDIVFT-ZDUSSCGKSA-N 396.399 3.305 0 1 GGAF O=C(O)CCCC=CC[C@H]1[C@H](C=C[C@H](O)CCc2ccccc2)C(=O)C[C@H]1O 2356709654 OAQGPAZDRCBBLD-IVAOSVALSA-N 386.488 3.304 0 1 GGAF COc1cccc(OC)c1NC(=O)N1C[C@H]2C(c3ccccc3C)=NO[C@H]2C1 205229986 MQNFDTVKDVVLIC-QAPCUYQASA-N 381.432 3.279 0 3 GGAF C[C@H](C[C@H](O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 118924510 KIBSVJDSQSAPPG-QNYQXPIGSA-N 394.596 3.356 0 1 GGAF COc1ccccc1Nc1nnc(-c2c(NCc3ccncc3)ncn2C)o1 28570286 KLWYTGUANSIRKD-UHFFFAOYSA-N 377.408 3.229 0 1 GGAF C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccc5c(c4)OCO5)C[C@@H]2N3)cc1 100107830 HLKMQIVOFCLILY-OSGGFPMRSA-N 377.444 3.420 0 1 GGAF CC(=O)O[C@@H](C)OC(=O)N(C[C@H](O)COc1cccc2ccccc12)C(C)C 26952186 HBWFUIQMOICLQJ-AEFFLSMTSA-N 389.448 3.336 0 1 GGAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 62027139 GTMOGHHWTKSVCD-COCVIAQXSA-N 377.506 3.257 0 1 GGAF NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)c4cccs4)cc23)c1 139597766 JCWMYHHWIAVKSB-UHFFFAOYSA-N 398.469 3.191 0 1 GGAF COc1ccccc1N1CCN(CCCN2CCCc3ccccc3C2=O)CC1 40406333 BKLNFYXUBNZNOT-UHFFFAOYSA-N 393.531 3.296 0 1 GGAF O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 96271379 NFKNYUSRXHTVRX-UHFFFAOYSA-N 382.445 3.204 0 1 GGAF CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]1CN(C)C(C)=O 95895089 QBCIKSKNBAWUBS-XJUOHMSHSA-N 398.478 3.036 0 1 GGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC[C@H]32)C1 255195036 AMWUVEPYCFALOA-MHOQGLTASA-N 392.536 3.253 0 1 GGAF O=C(OCc1cccs1)c1cnn2c1[nH][n+](=O)c1ccc(C(F)(F)F)cc12 377825219 LMCJWMXPQWFFOC-UHFFFAOYSA-O 395.342 3.167 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccccc1S(N)(=O)=O 587863441 KCPRJHNGUQIDTE-UHFFFAOYSA-N 397.378 3.214 0 1 GGAF COc1ccc(S(=O)(=O)Cc2nc3ccc(Br)c(F)c3[nH]2)cc1 586920851 SEAUYUUOMIGUKU-UHFFFAOYSA-N 399.241 3.447 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cn1cncn1)C1(Cl)CC1 587547487 SYTAYGNZMCELSG-JXFKEZNVSA-N 397.818 3.156 0 1 GGAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587933478 YLBOMCNZCNLDBR-XOBRGWDASA-N 385.489 3.267 0 1 GGAF Cc1csc([C@](O)(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)C(F)(F)F)n1 587094403 RHSDYLRIKMEUPU-MRXNPFEDSA-N 396.394 3.205 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)nnn3C)N1 587759338 KHJVPXZKWYTWEM-HUTHGQBESA-N 375.245 3.494 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(=N)[nH]c1 587864878 RRGCWCITJQTNFV-UHFFFAOYSA-N 376.338 3.464 0 1 GGAF CNC[C@H]1CCNc2c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)nn21 1772627143 MLJZZYHKNURLQU-OAHLLOKOSA-N 377.448 3.017 0 1 GGAF O=C1NCCCC[C@@H]1Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 1772583031 AZTKLMUSJKAVBQ-KRWDZBQOSA-N 389.463 3.439 0 1 GGAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1ccc(F)cc1 169350234 FPBGEAUIYJVMNI-AXIIEQSXSA-N 388.435 3.410 0 1 GGAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H](C)c1cnccn1 206070525 LLPGSWBZJMRSKB-GFCCVEGCSA-N 399.458 3.182 0 1 GGAF C[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ncccc2F)C1=O 1857577790 JHDWAFRPXSZUKN-KRWDZBQOSA-N 383.467 3.050 0 1 GGAF c1cc(-c2ccc3ncnc(N=c4[nH]ncs4)c3c2)cc(N2CCOCC2)c1 1857746004 MIFVKHTVGUKROZ-UHFFFAOYSA-N 390.472 3.150 0 1 GGAF CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)cc1OC 777210 BKTPDZPFXHSDLT-GFCCVEGCSA-N 376.453 3.157 0 1 GGAF COc1cccc(Cn2c(=O)c(-c3ccc(F)cc3)nc3cnc(OC)nc32)c1 4238672 GMOWEVWIDPUNFM-UHFFFAOYSA-N 392.390 3.058 0 1 GGAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@H]1[C@@]23CCC[C@@]1(C)[C@H](O)OC3 2356441920 IULNRTXGLGQYFK-WJAXOKMFSA-N 376.449 3.209 0 1 GGAF COc1ccc(F)c(CN2CCC[C@]3(CCN(Cc4cnc(C)nc4)C3)C2)c1 23399235 WGVDZORNUIAMFZ-QFIPXVFZSA-N 384.499 3.421 0 1 GGAF O=C(Nc1cccc(F)c1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cncnc2)cc1 100108657 LDBAZNWOVYQXEL-AERCQKQUSA-N 389.434 3.254 0 1 GGAF CCOC(=O)c1noc2nc(C)nc(N3CCN(c4cc(C)ccc4C)CC3)c12 21539100 ILLYUIKNSPLISV-UHFFFAOYSA-N 395.463 3.046 0 1 GGAF COc1cccc(OC)c1C(=O)N1C[C@H]2CN(c3nc4ccccc4o3)C[C@@H]2C1 116826677 GMRQPSLXKWCSAO-GJZGRUSLSA-N 393.443 3.053 0 1 GGAF Cn1c(O)c(C2=C[C@@H](C=Cc3ccccc3)NC(=S)N2)c(=O)c2ccccc21 2356816145 CYFONDVSOVEKHL-OAHLLOKOSA-N 389.480 3.145 0 1 GGAF Cc1nc(C2CCCC2)cc([C@@H]2CN3CC[C@H]2C[C@H]3CNC2CCOCC2)n1 2356852680 QSFXAQOYCNIYAD-SESVDKBCSA-N 384.568 3.389 0 1 GGAF O=C1CC[C@](c2ccccc2)(C2CCN(Cc3ccccc3F)CC2)C(=O)N1 26004464 UJOLPANGBUCHRV-QHCPKHFHSA-N 380.463 3.412 0 1 GGAF O=C1C[C@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3ccc(F)cc3)c2N1 1911573763 KFEMJVNVJVBJHN-HXUWFJFHSA-N 396.809 3.304 0 1 GGAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C/c2cccc(C(F)(F)F)c2)C(=O)O1 45495702 MRIHOUDOOGJIRL-MEVIEEELSA-N 386.366 3.356 0 1 GGAF CCOC(=O)c1[nH]c2ccc(OC)cc2c1C(=O)c1cc(O)c(OC)c(OC)c1 45316775 IQYOPSKKZDSBTF-UHFFFAOYSA-N 399.399 3.307 0 1 GGAF O=C1c2cc(Cl)ccc2N(Cc2ccccc2)C(=O)CN1CC1CCNCC1 95561605 QFAILMKROLLIDB-UHFFFAOYSA-N 397.906 3.329 0 1 GGAF COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)c(Cl)c(OC)c1C2=O 32177732 VOYKFNUPFUJNKL-GJEGPGMTSA-N 387.215 3.464 0 1 GGAF biogenic CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 299875924 DTKSZSPICJDKHO-GMLUQMLDSA-N 398.459 3.190 0 1 GGAF O=C(NCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccncc1 653706026 QEVIFCJESGLVMY-UHFFFAOYSA-N 393.318 3.331 0 1 GGAF O=C(Nc1ccn(S(=O)(=O)C(F)(F)c2ccccc2F)c1)c1ccccn1 653825934 UTQZESSHQPGOEC-UHFFFAOYSA-N 395.362 3.202 0 1 GGAF COc1cc(Br)cc(C=O)c1OCc1nc2c(Cl)ncnc2[nH]1 586979744 KEZNXJHKHSEMBS-UHFFFAOYSA-N 397.616 3.169 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cn2)OCCO3)N1 587779162 QMKYWSLAEAIEGM-XYZCENFISA-N 379.229 3.378 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)(C(F)(F)C(=O)O)N1 587701191 AOJPTNIGNRCWEX-NXSYQRQQSA-N 378.188 3.448 0 1 GGAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587201938 ZMGHKJVVRHBSCL-UHFFFAOYSA-N 388.468 3.475 0 1 GGAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4ccc(F)cc4[nH]3)cccc12 586942210 SZBWSAAVFTZUHV-UHFFFAOYSA-N 398.463 3.400 0 1 GGAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 587934022 ACBGZQJYTZRTAM-YCRPNKLZSA-N 380.492 3.160 0 1 GGAF C[C@@]1(CC(=O)NCc2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576784 IBZGMUVRHFRYCJ-UGKGYDQZSA-N 393.395 3.412 0 1 GGAF CCOC(=O)[C@H](C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(C)=O 587593499 DVWPALSLHFVLJM-FXCLAUTBSA-N 398.411 3.271 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)NC)c(OC)c1)CC2=O 587468254 CQAHUXNYRGYEOT-LJQANCHMSA-N 399.443 3.185 0 1 GGAF N=c1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c[nH]1 586962456 XASYZKAXAVILEI-BVGQSLNGSA-N 397.504 3.065 0 1 GGAF O=C(O)C1CCN(c2ccnc3ccc(I)cc23)CC1 957663678 SYBOSITVUVFCBI-UHFFFAOYSA-N 382.201 3.140 0 1 GGAF CC/C=C\C[C@H](O)[C@@H](O)/C=C/C=C/C=C\C=C\[C@H](O)C/C=C\CCC(=O)O 12495768 IKFAUGXNBOBQDM-QXRQGPNBSA-N 376.493 3.461 0 1 GGAF endogenous,in-man COc1cc2c(cc1OC)[C@@H]1O[C@@H](OC)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 15257518 STJFYCWYHROASW-JAXLGGSGSA-N 399.443 3.378 0 1 GGAF endogenous,in-man CN1c2ccsc2C(=O)[C@H](C(=S)Nc2ccc(Cl)cc2)S1(=O)=O 18086660 QQZXQMHUWOAUQB-CYBMUJFWSA-N 386.907 3.172 0 1 GGAF COc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCOCC2)cc1 201537640 RTKMZZGECNPMOW-UHFFFAOYSA-N 398.484 3.221 0 1 GGAF Nc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCC(F)(F)CC5)n4)c3c2)o1 203731705 VMTDEYJXDXLJNT-UHFFFAOYSA-N 397.389 3.493 0 1 GGAF Cc1ccc2c(c1)C[C@H](C)N2C(=O)c1ccc2c(n1)N(C1CC1)[C@@H](C)C(=O)N2C 1857642524 YBUMBAJJSBIYAF-GJZGRUSLSA-N 390.487 3.315 0 1 GGAF C[C@@]12C[C@@H](CC3=C1[C@@H](OC(=O)c1ccccc1)[C@@H](c1ccoc1)OC3=O)OC2=O 14929558 VMPUNXPSXDRNOX-SAJUPQAESA-N 394.379 3.125 0 1 GGAF biogenic CC[C@H]1[C@@H](c2ccccc2O)c2cc3c(cc2O[C@H]1N1CCOCC1)OCO3 17252825 MPGWMGUALYVDAX-JQOQJDEVSA-N 383.444 3.330 0 1 GGAF COc1cc2c(cc1OC)[C@@H](CCN1CCN(c3ccccn3)CC1)OCCC2 27723661 HKXNPLIJUKTWAC-HXUWFJFHSA-N 397.519 3.315 0 1 GGAF O=C1c2c(O)cc(O)c3c2[C@@H]2[C@@H](c4ccccc4O[C@H]2c2cccc(O)c2-3)[C@H]1O 29128816 JFOHOILWNMBZGW-QSABTFIQSA-N 388.375 3.342 0 1 GGAF in-vivo COc1c(-c2ccccc2)oc2cc(OC[C@H](O)CNC(C)C)ccc2c1=O 29556022 RVZDTYTTWWYWKG-MRXNPFEDSA-N 383.444 3.206 0 1 GGAF Cc1nc2cccnc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1 40937988 ZTQCIMYFBINBAT-UHFFFAOYSA-N 390.487 3.485 0 1 GGAF COc1ccc(C(=O)c2ncc(C(=O)O)c3cc(OC)c(OC)cc23)cc1OC 73170174 HVHFEULZTDYYQN-UHFFFAOYSA-N 397.383 3.198 0 1 GGAF CC(C)n1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@@H](C)CN2 82212169 MCZLGODQMGERGZ-NSHDSACASA-N 398.385 3.088 0 1 GGAF Cc1cccc2cc([C@H](C)Nc3nc(=O)[nH]cc3N)n(-c3ccccc3)c(=O)c12 88345971 BRHIZWRBMMHJEG-AWEZNQCLSA-N 387.443 3.138 0 1 GGAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)[C@H](C(N)=O)C[C@]4(C)[C@H]3CC[C@]12C 118920052 NSRFUDBYSKPHCF-RAMOTZESSA-N 375.509 3.241 0 1 GGAF CC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@H]3C(=O)O[C@H]4O[C@@H](O)[C@]12[C@H]43 139763186 SJUIUZNWNSLYJG-QVFLUTGASA-N 392.492 3.015 0 1 GGAF CN1[C@H](c2ccc(C(F)(F)F)nc2)c2ccc3cccnc3c2NS1(=O)=O 201626877 GOVRHLOWTUXXTQ-MRXNPFEDSA-N 394.378 3.340 0 1 GGAF O=c1cc(Nc2ccccc2)ccn1C[C@H](O)CN1CCc2ccccc2C1 209707648 JPWCFWRCXQIJQU-JOCHJYFZSA-N 375.472 3.011 0 1 GGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C(=O)O)cc4[nH]3)CC2)cc1 586954747 IGQFVXARVFFODE-UHFFFAOYSA-N 399.472 3.138 0 1 GGAF 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CC(C)COC(=O)N1CCCC[C@@H]1c1cc(C(=O)NCc2cccnc2)no1 61896090 VANUNFBEVNTAFK-QGZVFWFLSA-N 386.452 3.319 0 3 GGAF Cc1ccc2c(c1)CN(CC(=O)NC1CCOCC1)C[C@@H](c1ccsc1)O2 39360142 SEBPELBSSLLBSY-FQEVSTJZSA-N 386.517 3.287 0 1 GGAF O=C(O)c1cn(CCO)c2ccc(Cc3cccc(F)c3Cl)cc2c1=O 33817974 UKWKHQJMIGMBTM-UHFFFAOYSA-N 375.783 3.075 0 1 GGAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@H]21)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 71318996 TZWPFVYIIXJLMW-WTIFJBDBSA-N 394.552 3.059 0 1 GGAF COc1ccc(-c2cc(=O)c3c(O)cc(OC)c(OC)c3o2)c(OC)c1OC 14436525 VVTLTHFYNBAOIW-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(C)=O 95618069 FFCDTHIJWHJUQJ-YRCPKEQFSA-N 386.400 3.446 0 1 GGAF endogenous,in-man CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccc(F)cc1)[C@@H](N)CC2 142790268 BZRWQTBKAWCEII-RTWAWAEBSA-N 390.524 3.255 0 1 GGAF Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc3cccnc23)c(C)c1 95552236 MREWWHVDKKFFDF-HNNXBMFYSA-N 383.473 3.157 0 1 GGAF C[C@@H](NC(=O)c1cc(O)n(-c2ccccc2)n1)c1ccc2c(c1)OCCCO2 618020153 GFSGWBSNUQKBSA-CQSZACIVSA-N 379.416 3.230 0 1 GGAF COc1ccccc1N1CCN(CCCc2cn(-c3ccc(F)cc3)nn2)CC1 299840170 UUDQCIUOURNBBY-UHFFFAOYSA-N 395.482 3.170 0 1 GGAF CCOC(=O)Cn1cnc2c(NCc3ccc(Cl)cc3Cl)ncnc21 299841318 ZDVZPUFLSLITDN-UHFFFAOYSA-N 380.235 3.308 0 1 GGAF COc1cc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2cc1Cl 586926256 NADSBRSEKADOGA-UHFFFAOYSA-N 392.864 3.444 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1[C@H]3C[C@@H]4[C@H]5[C@H]3[C@@H]2[C@@H]5C(=O)[C@@H]41 587831293 WWYSVDIYKZGUEL-RHECJOBISA-N 388.280 3.275 0 1 GGAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc[nH]c(=N)c4[nH]3)CC2)cc1 586955559 QRNLAINWNRVDEC-UHFFFAOYSA-N 399.520 3.062 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(C=O)ccc3OC)[nH]c2c1 587787247 SVKQQRVPWDGSJT-UHFFFAOYSA-N 387.461 3.129 0 1 GGAF CCOc1oc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc1C 587867862 PKIBEUORQDHNHP-UHFFFAOYSA-N 396.325 3.356 0 1 GGAF COC(=O)C[C@H](C(=O)OC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107096 OXDHAHYOCGJSIJ-INIZCTEOSA-N 375.380 3.266 0 1 GGAF O=C(CCc1nc2ccc(F)c(F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 587024387 XZRNTVYGWHGJHN-UHFFFAOYSA-N 386.387 3.326 0 1 GGAF COc1cc2ccc(=O)oc2c([C@]2(C)NCCc3c2c(C(C)C)nn3C)c1OC 962914339 SSCOSYPDWFXKAJ-JOCHJYFZSA-N 397.475 3.076 0 1 GGAF COc1ccc2c(c1OC)[C@@H](c1cc[nH]c1)N(C(=O)c1ccccc1N)CC2 963137255 HDZFUWUAGJCGRN-HXUWFJFHSA-N 377.444 3.402 0 1 GGAF CN1C(=O)[C@@H](NC(=O)c2cccc(Cc3ccccc3)c2)COc2ccccc21 1772631904 IEZROSAHMNRZNO-FQEVSTJZSA-N 386.451 3.431 0 1 GGAF COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3oc(C)cc3C)C2)CC1 12320733 JJTPKEBDRFDZKF-IBGZPJMESA-N 397.519 3.332 0 3 GGAF COc1cc(O)c2c(=O)c3c(oc2c1)-c1c(O)cc(O)c2c1[C@H](C3)C(C)(C)O2 13373248 NMKFZSNRHNHWLX-JTQLQIEISA-N 382.368 3.396 0 1 GGAF endogenous,in-man COc1ccccc1-c1ccc(C[C@H](NC(=O)Cc2cccnc2)C(=O)O)cc1 13445231 TWMMGMRQAPUZDL-FQEVSTJZSA-N 390.439 3.112 0 1 GGAF COC(=O)CCCCC[C@H](CNS(=O)(=O)c1ccccc1)c1cccnc1 13730293 RCQHSAAMCKZBMQ-GOSISDBHSA-N 390.505 3.267 0 1 GGAF CN(C)c1ccccc1C[S@@](=O)c1nc2c(n1Cc1ccccn1)CCC2 13746216 FVIFIXHDUMWUNN-MHZLTWQESA-N 380.517 3.189 0 1 GGAF COCCN1CCN(c2nc(C(=O)Nc3ccc(F)c(Cl)c3)cs2)C1=O 206019808 TVTKIWXUVYJSHA-UHFFFAOYSA-N 398.847 3.076 0 3 GGAF Cc1nc(C(C)(C)NC(=O)c2ccc([C@@H]3CCCO3)c(OCC3CC3)n2)no1 206687053 ITQKLJTVQXSGEF-INIZCTEOSA-N 386.452 3.078 0 1 GGAF COCn1cc2c(n1)C(=O)N(C)C1(CC1)c1ccc(-c3ccc(F)nc3)cc1-2 1857586672 ZUMVAQQTFYFCPI-UHFFFAOYSA-N 378.407 3.430 0 1 GGAF CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccco3)C2)c1 4036100 UQWLRYJNAFQOHI-INIZCTEOSA-N 399.428 3.236 0 3 GGAF O=C(NCc1ccco1)c1ccc(CS(=O)(=O)Cc2ccc(F)cc2)o1 4077073 KDGJBVORAUBBMF-UHFFFAOYSA-N 377.393 3.057 0 3 GGAF CCN1CCC[C@@H]1Cn1c(-c2ccccc2)nc2c(NCCOC)nc(C)nc21 7991859 CTDDCOQCCOFKAQ-GOSISDBHSA-N 394.523 3.344 0 1 GGAF CC/N=c1\c(NS(=O)(=O)c2ccc(F)cc2F)c(O)oc2ccccc12 103673301 CIRMSRREHWPDHG-HKWRFOASSA-N 380.372 3.138 0 1 GGAF CC(=O)Nc1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1 113064926 BXMKQFJSSNEYSN-ZDUSSCGKSA-N 393.852 3.115 0 1 GGAF O=C(c1ccoc1)N(c1cnccn1)C1CCN(CCc2ccccc2)CC1 27740640 ALXPOMXFDQJTJA-UHFFFAOYSA-N 376.460 3.424 0 1 GGAF CCNC[C@@H]1[C@H]2C=C[C@H]3[N@]([C@H]2[C@@H](c2ccc(C=O)cc2)C2CCCCC2)[C@@]13O 2356366770 PZVOQJJAHWFYHS-IQBMLWJTSA-N 380.532 3.330 0 1 GGAF Nc1c(Oc2ccc(O)cc2)cccc1C(=O)CCNC(=O)c1ccc(O)cc1 13379116 XOHMSOOURABJGK-UHFFFAOYSA-N 392.411 3.475 0 1 GGAF biogenic Cn1ccc(C(=O)N(CC(=O)Nc2cc(F)cc(F)c2)C2CCCCC2)n1 72127888 ZFUWAXQBSVUONN-UHFFFAOYSA-N 376.407 3.112 0 1 GGAF NS(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4ccccc4)c3s2)cc1 40900326 VFKYFVARGWUQHK-UHFFFAOYSA-N 398.473 3.221 0 1 GGAF CN(C)C(C)(C)COC(=O)CNC(=O)c1coc(-c2ccc3ccccc3c2)n1 82084986 MWVJSQZLMHJBEQ-UHFFFAOYSA-N 395.459 3.108 0 1 GGAF Cc1ccccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(CO)n3C)c2O1 49089792 UUCUJQQVYFYOSR-SFHVURJKSA-N 379.460 3.142 0 1 GGAF CN1CCC[C@@H]1CCn1c(-c2cccnc2)nc2c(NCC3CC3)ncnc21 82181298 VAOLSROCTCOJIW-QGZVFWFLSA-N 377.496 3.195 0 1 GGAF COc1ccc([C@H]2NC(=S)N[C@H](c3ccc4c(c3)CCCC4)C2=O)cc1OC 49088063 LKCKVHMDLOUBCB-WOJBJXKFSA-N 396.512 3.412 0 1 GGAF Cn1c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc2ccccc21 45349062 OBGKLELCXBROAY-UHFFFAOYSA-N 375.398 3.309 0 1 GGAF CN(C)C(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21 49035801 UALCDYCEOQSUDI-HNNXBMFYSA-N 390.480 3.350 0 1 GGAF COc1ccc([C@H]2CC(=O)C[C@@H](CCn3cc(-c4ccncc4)nn3)O2)cc1 95603116 IRTHISARUVTSTH-TZIWHRDSSA-N 378.432 3.228 0 3 GGAF O=C1CCCN1CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144817476 FAUNEENRTBQNOA-LJQANCHMSA-N 377.362 3.466 0 1 GGAF Cc1ccnc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 95570910 TWKGQHLMXSJVQU-UHFFFAOYSA-N 381.427 3.323 0 1 GGAF CCCS(=O)(=O)Nc1ccc(-c2cn3c(C(=O)OCC)csc3n2)cc1 473114105 LZONCCPHZYVQGC-UHFFFAOYSA-N 393.490 3.391 0 1 GGAF Cc1cc2nc(CCNC(=O)c3ccc(-n4ccnn4)cc3Cl)[nH]c2cc1C 299861883 MBIZHZNYJDBOHP-UHFFFAOYSA-N 394.866 3.386 0 1 GGAF Nc1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)ccc1CC(=O)O 587250675 WCCRWKLPBFHJEA-UHFFFAOYSA-N 381.617 3.250 0 1 GGAF CCOC(=O)[C@H](N=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340747 VRVPHPNWQVTXES-KPFFTGBYSA-N 387.363 3.347 0 1 GGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 586931193 YBXXVJOHMHFVFS-UHFFFAOYSA-N 391.424 3.098 0 1 GGAF CCOC(=O)C1=C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc2O1 587454009 QSSDANWDUAGSAQ-IVZQSRNASA-N 378.380 3.178 0 1 GGAF CCOC(=O)Cc1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587174325 OHMCUBULVJTCRL-NRFANRHFSA-N 382.391 3.436 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(CCCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587435645 HOPOPZFDODGZNI-SBUREZEXSA-N 391.423 3.278 0 1 GGAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Cl)c(Cl)cc2[nH]1 586929507 DPUKYJWLQOVSLX-UHFFFAOYSA-N 386.260 3.405 0 1 GGAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 586959094 OOXUZIRKQSXNSJ-OAHLLOKOSA-N 385.367 3.051 0 1 GGAF CC(C)(C)OC(=O)N(Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)C[C@@H]1CCCO1 587196576 ACESMIFQLXIDBW-LBPRGKRZSA-N 393.415 3.316 0 1 GGAF CC1=C[C@]2(C=C(C(=O)O)N1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587757264 GRDSUNVQNOSPEB-HUTHGQBESA-N 381.245 3.135 0 1 GGAF COC(=O)c1cc(Br)c2nc(-c3ccc(N(C)C)cn3)[nH]c2c1 587195470 VZJYBVVCUCHSIC-UHFFFAOYSA-N 375.226 3.240 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc(C)nn1C)CC2=O 587474092 AYAOAKXRWPFAMR-NRFANRHFSA-N 386.448 3.201 0 1 GGAF C=C1C=C(C)N2NC([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)=NC2=N1 587794574 NGRUXUHDWCIASG-PSLIRLAXSA-N 390.260 3.169 0 1 GGAF O=C([C@@H]1Cc2ccccc2[C@@](c2ccccc2F)([C@H]2CCNC2)N1)C(F)(F)F 962769603 SJQLXTYYMVFXTJ-ADLFWFRXSA-N 392.396 3.325 0 1 GGAF O=C([C@H]1Cc2ccccc2[C@H](c2ccc(Sc3nc[nH]n3)o2)N1)C(F)(F)F 962729665 IXTFDYXSSPVQAD-BXUZGUMPSA-N 394.378 3.284 0 1 GGAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](NC[C@@H](C)O)(c1ccccc1)C(=O)N2 1772651856 PPMWZCIDGVNNEH-DMZKTXOQSA-N 377.444 3.125 0 1 GGAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](C(=O)NC[C@H]1CCCO1)[C@@H]2O 13681751 ACLJBHUSJJAZGD-BCMDCBOSSA-N 399.531 3.131 0 1 GGAF CC1(C)C(=O)N(c2cccc(S(C)(=O)=O)c2)[C@H]1c1cccc2nccnc12 169324154 VZRJDABCMLFURD-SFHVURJKSA-N 381.457 3.147 0 1 GGAF O=C(Nc1ccc(C(=O)N2CCC[C@@]23CCNC3)cc1)N1Cc2ccccc2C1 167171043 NADPGDAGPYRGIA-QHCPKHFHSA-N 390.487 3.202 0 1 GGAF CC(C)Oc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCNCC4)cc3)oc12 1857561962 MVWMZXXYCVLQRN-UHFFFAOYSA-N 396.443 3.068 0 1 GGAF COc1ccc(CN=c2ccc3ncc(-c4ccc(OC)c(OC)c4)n3[nH]2)cc1 1857613720 OCKCDDGAPCVLAD-UHFFFAOYSA-N 390.443 3.456 0 1 GGAF CCOc1ccc(F)cc1[C@@H](C)NC(=O)NS(=O)(=O)c1ccc(C)cc1 1857634994 GOUDJOOBCKGEDP-CYBMUJFWSA-N 380.441 3.282 0 1 GGAF CCCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc21 13839075 HTIAYMXQXVLMTO-UHFFFAOYSA-N 385.468 3.215 0 1 GGAF C[C@@H](O)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 19361058 AVTZVQMMLVOANB-QGZVFWFLSA-N 390.474 3.069 0 1 GGAF CSc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 26845120 FDJHVFPETOLMBE-SSTWWWIQSA-N 397.562 3.208 0 1 GGAF O=C(c1cnn2c1N[C@@H](c1ccccc1)C2)N1CCN(Cc2ccccc2)CC1 28704438 DJHMATLRCWOTQH-OAQYLSRUSA-N 387.487 3.008 0 1 GGAF Cc1cccc(N2CCN(C(=O)Cc3c(C(=O)O)[nH]c4ccccc34)CC2)c1C 34860346 KKROVRZUXWCMIN-UHFFFAOYSA-N 391.471 3.374 0 1 GGAF NC(=O)c1cccc(OCC2=CC[C@H](c3cc(F)c(F)c(F)c3)[C@@H](N)C2)c1 36310860 PJUMGRJRHXZNJN-QAPCUYQASA-N 376.378 3.413 0 1 GGAF COc1cc2ncn(-c3cc(OCc4ccco4)c(C(N)=O)s3)c2cc1OC 40410812 SXMLPHKEKWTISC-UHFFFAOYSA-N 399.428 3.375 0 1 GGAF O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSc3ccc(Cl)cc3)c2s1 58583256 BZWPLBUXCWTALE-AWEZNQCLSA-N 396.921 3.364 0 1 GGAF CCCN(C[C@H](O)Cn1c2cc(F)ccc2c2ccc(F)cc21)S(C)(=O)=O 149596084 VEBZYRVLVYZURX-HNNXBMFYSA-N 396.459 3.105 0 1 GGAF COc1ccc2c3c1O[C@H]1C(=O)C[C@H](c4ccccc4)[C@H]4[C@@H](C2)N(C)CC[C@@]314 169369220 QXZJMGDZMLKVKQ-VAABDQJSSA-N 375.468 3.327 0 1 GGAF COc1cccc(CC(=O)Nc2ccc(O)c(-c3cc(C(=O)O)ccn3)c2)c1 263620950 QSWJSOQQNWMPME-UHFFFAOYSA-N 378.384 3.342 0 1 GGAF in-vitro FC(F)(F)Oc1cc(Br)c2[nH]c(C[C@H]3COCCO3)nc2c1 586908576 CFXAWEDFXKPOET-QMMMGPOBSA-N 381.148 3.182 0 1 GGAF CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 586931709 KAGJEZGRSMJVIL-UHFFFAOYSA-N 388.493 3.085 0 1 GGAF CCOC(=O)C[C@]1(COC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346220 IARLYZUDDMXCRE-TZIWHRDSSA-N 388.391 3.229 0 1 GGAF CCOC(=O)C(C(=O)OCC)[C@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 587525173 SSBJWVYWGPMTOV-QFIPXVFZSA-N 388.460 3.422 0 1 GGAF COc1cc(C)ccc1OCc1nc2cc(I)cnc2[nH]1 587563619 GNXBRBOGKFFUFP-UHFFFAOYSA-N 395.200 3.459 0 1 GGAF CCOC(=O)C(=O)C[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599422 XHJWQIFXURXVNS-XMSQKQJNSA-N 398.411 3.271 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)n[nH]c2C(=O)O)N1 587704189 IKPFHXSBPUSRQD-GCXOYZPQSA-N 388.624 3.287 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1ccccc12 587765137 BMOSJXKQKHFVAG-MLCYQJTMSA-N 375.241 3.342 0 1 GGAF Cc1cc2c(cc1F)[C@@](c1nnc3c(Cl)nccn13)(C(F)(F)F)NCC2 962303083 UMCWSGNNURXDCN-OAHLLOKOSA-N 385.752 3.177 0 1 GGAF COc1ncc(C)cc1[C@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962661384 HVYDMQAPRHAFIM-XZOQPEGZSA-N 391.471 3.309 0 1 GGAF CCn1cc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C2CC2)n1 962982194 WPEZMZYYWZPTSX-GUYCJALGSA-N 381.810 3.400 0 1 GGAF Cc1ncc([C@H](CNC(=O)c2ccccc2Cl)N2CCC(F)CC2)cn1 1772575236 NKXKARQRCRKMSM-SFHVURJKSA-N 376.863 3.343 0 1 GGAF Cc1ccc(NC(=O)c2cc3n(n2)CCCN(C(=O)c2occc2C)C3)cc1 1772607453 LNEQJPKPNNUESQ-UHFFFAOYSA-N 378.432 3.391 0 1 GGAF CC(=O)Nc1ccc(CN2C[C@H](F)[C@H](OCc3nc4ccccc4n3C)C2)cc1 2356302144 MQPUHZKHKHRRCD-GHTZIAJQSA-N 396.466 3.271 0 1 GGAF COc1ccc2nc(C[C@@H]3CN(C(=O)C4CCCC4)CC[C@H]3CC(=O)O)[nH]c2c1 2356361322 YVIRFMXDCVGJNE-JKSUJKDBSA-N 399.491 3.244 0 1 GGAF CCCNC(=O)OC[C@@H]1C[C@H]2CCN1C[C@H]2c1cc(-c2cccs2)nn1C 2356830222 JFRRLYBBVBKSHJ-OWCLPIDISA-N 388.537 3.463 0 1 GGAF CCOc1cc(CCNC(=O)[C@]2(C)CON=C2c2ccccc2)ccc1OC 767834 OENCXFCFNUDMLA-JOCHJYFZSA-N 382.460 3.193 0 1 GGAF Cc1cc(OCCCN2[C@H]3CNC[C@@H]32)ccc1-c1nc2c(C)c(F)ccc2[nH]1 101346881 VSUUQRZGWLNIQQ-PMACEKPBSA-N 380.467 3.411 0 1 GGAF COc1cc([C@H]2c3cc4c(cc3N=C3COC(=O)N32)OCO4)cc(OC)c1OC 25994612 UMWGEUNNCILHOO-SFHVURJKSA-N 398.371 3.026 0 1 GGAF Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCN3CCOCC3)cc12 20583795 PKIQGIXLYNXLES-UHFFFAOYSA-N 391.515 3.368 0 3 GGAF COc1cc(O)c(Cl)c2c1C(=O)O[C@H](C)CC[C@H]1CC[C@@H](CC(=O)C2)O1 2356614614 AXZMULHUFVPQHT-WXHSDQCUSA-N 382.840 3.443 0 1 GGAF Cn1ccc(Nc2ncnc3ccc(Oc4ccccc4S(C)(=O)=O)cc23)n1 34641667 HNSNAZPWBJZUIR-UHFFFAOYSA-N 395.444 3.303 0 1 GGAF O=C(Nc1ccccc1)c1ccc(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 195150736 XZZJIUFSZHCKSM-NALHQMNBSA-N 398.462 3.492 0 1 GGAF O=C1NCc2ccc3c(c21)C[C@H](NCCCCc1c[nH]c2ccc(F)cc12)CO3 45348150 SDTOSYQWYBTBGQ-KRWDZBQOSA-N 393.462 3.466 0 1 GGAF CC(C)Oc1cc2c(-c3cc(N4C[C@@H]5CC[C@H](C4)O5)ncn3)n[nH]c2cc1F 221317391 XKOWZPPKFMQYNT-BETUJISGSA-N 383.427 3.314 0 1 GGAF CC1(C)Cc2cc(Cl)ccc2C(N[C@H](Cc2ccccc2)c2n[nH]c(=O)[nH]2)=N1 95602951 VFPDPDSUNOZPME-QGZVFWFLSA-N 395.894 3.406 0 1 GGAF CC(C)C[C@H]1COCc2cn(nn2)CC[C@@H](Cc2cccc(Cl)c2)C(=O)N1 95661069 SOHYHTLQVKWNGI-WMZOPIPTSA-N 390.915 3.242 0 1 GGAF O=C(NCCc1c[nH]c2ccccc12)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2=O 263590921 FYWFPWZAUIPSNV-VUBSUSDNSA-N 381.476 3.226 0 3 GGAF Oc1cc(C2CCOCC2)nc(-c2ccc(CN3CCN4CCC[C@H]4C3)cc2)n1 299872899 BFYFNQSAEDSJAI-FQEVSTJZSA-N 394.519 3.023 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(O)cc2)N1 587830914 FVJKXHRSBIFIDP-XLFHBGCDSA-N 380.213 3.156 0 1 GGAF COc1cc(C)c(N)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 587250048 RNERYLBETOULEB-UHFFFAOYSA-N 376.420 3.188 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccnn2C)N1 587757294 GYTNCUKSNLXUEV-AOSQPNEPSA-N 393.304 3.175 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4nccn4C)cc1)[C@@H](C2)C3=O 587430663 KSJVVYCSHMOVGZ-JTSKRJEESA-N 376.412 3.496 0 1 GGAF COC(=O)c1noc(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798909 XJRNSGNHKYMVON-QPFGOUBPSA-N 397.244 3.469 0 1 GGAF Cn1nccc1CS(=O)(=O)Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586922776 ZPLCZUDYFNVYLC-UHFFFAOYSA-N 392.790 3.084 0 1 GGAF CN(C)/C=C\[C@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578499 AKZYADVORVURDX-GUNAXGTHSA-N 391.427 3.058 0 1 GGAF COCCNC1=C[C@]2(CC(C)(C)C1)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962731232 QIWSKBAEGSSUHP-YLJYHZDGSA-N 396.453 3.468 0 1 GGAF Cn1cccc1CN1CCc2sccc2[C@H]1c1cn(Cc2cccnc2)nn1 962373410 LTRAVXHWLMXQTI-NRFANRHFSA-N 390.516 3.269 0 1 GGAF O=C1Nc2cc(F)c(C(=O)N[C@H](CO)c3ccccc3)cc2/C1=C/c1ccc[nH]1 1772655122 HNIZTLUFJRVMRW-SIBGDRKGSA-N 391.402 3.110 0 1 GGAF COc1ccc(-c2ccc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1 1772586113 HYSKSUIDGJWHSM-UHFFFAOYSA-N 392.415 3.493 0 1 GGAF COc1c(Br)cnc(C[S@@](=O)c2nc3cscc3[nH]2)c1C 13448688 CYVTULNNGPEPBB-NRFANRHFSA-N 386.296 3.407 0 1 GGAF COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(=N)N)cc2)cc1 13557993 BZSSZOSZIMPYSA-UHFFFAOYSA-N 388.427 3.484 0 1 GGAF CCOC(=O)c1ncn2c1CN(CCc1ccccc1)C(=O)c1ccccc1-2 13861405 AIWVKMGJBNDITH-UHFFFAOYSA-N 375.428 3.248 0 1 GGAF CCOc1ccc(N(CC(=O)N2CC(=O)Nc3cc(C)c(C)cc32)C(C)=O)cc1 1633598 BHOMENCYGJQALO-UHFFFAOYSA-N 395.459 3.040 0 1 GGAF O=c1nc(N(Cc2ccccc2)Cc2ccccc2)ccn1[C@H]1CC[C@@H](CO)O1 28219184 BYNTVUAKPALDHQ-RBBKRZOGSA-N 391.471 3.120 0 1 GGAF O=C1c2cccc3cc(S(=O)(=O)O)cc(c23)C(=O)N1Cc1ccc(F)cc1 103254270 BCOJIMNMDIAANH-UHFFFAOYSA-N 385.372 3.022 0 1 GGAF CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(Cl)c1OC 27757426 RKOOLDUPORRDLP-VIFPVBQESA-N 391.693 3.031 0 1 GGAF O[C@@H](c1ccc(OCc2ccc(OCCN3CCOCC3)cc2)cc1)C1CC1 66258585 XWOKQHRQUKECOH-HSZRJFAPSA-N 383.488 3.420 0 1 GGAF CCCCCC=CC[C@@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)NCCO 2356534487 DQLVVNIINUTUIU-NHCUHLMSSA-N 379.541 3.182 0 1 GGAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC[C@@H]3C(=O)OC[C@@H]3[C@]21CO 2356803074 WRNVUAQTKPLALF-XFFCGQAKSA-N 378.509 3.332 0 1 GGAF CCCN(CC[C@H](C)[C@H]1CC=C(C)CC1)Cc1ccc2c(c1)=[N+]([O-])C(C)(C)[N+]=2[O-] 66262917 MHOPYBVKHSVQDN-FPOVZHCZSA-N 399.579 3.399 0 1 GGAF Cc1ccc(CN2CCN(Cc3nc4c(s3)CCCC4)C[C@H]2CCO)cc1 36385850 HWOUBIQXUGGAOM-LJQANCHMSA-N 385.577 3.399 0 3 GGAF CCC[C@H](CC1(C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)CCCC1)C(=O)O 34803326 DXFWFDIVNNUBBJ-GVDBMIGSSA-N 380.529 3.201 0 1 GGAF CCC(=O)N(Cc1ccc2ccccc2n1)c1cc(F)cc(-c2nnn[nH]2)c1 84710802 FKRRXMRCOLITJW-UHFFFAOYSA-N 376.395 3.497 0 1 GGAF COc1cccc(NC(=O)N2[C@H](CO)[C@@H](c3ccccc3)[C@H]2CNC(C)C)c1 95895198 RLOBSZGUXAQKLP-NJYVYQBISA-N 383.492 3.054 0 1 GGAF COc1ccc(CN2C(=O)CC[C@]2(C)c2nnnn2-c2c(C)cccc2C)cc1 95599702 HBFDEWKWBGMFOH-JOCHJYFZSA-N 391.475 3.326 0 3 GGAF CC1(C)CC(=O)C[C@]1(C)c1ccc(C(=O)OCC[C@@](C)(O)CC(=O)O)cc1 473135931 WOXSROLDXSRULX-NHCUHLMSSA-N 376.449 3.106 0 1 GGAF O=S(=O)(Nc1ccccc1-c1nc2ncc[nH]c-2n1)c1cc(F)ccc1F 587141474 UXDFXIAKUCKCLD-UHFFFAOYSA-N 387.371 3.051 0 1 GGAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 586930093 LKPYRJZOSYSFSE-UHFFFAOYSA-N 385.367 3.117 0 1 GGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Cl)cnc2[nH]1 587121214 YARNPKNIQWQBSO-UHFFFAOYSA-N 396.760 3.035 0 1 GGAF O=C1C[C@]2(C=C(CN3CCCCC3)OCC2=O)Oc2c1ccc1c2CCCC1 587514792 PIXAQKVSTBTSEV-QHCPKHFHSA-N 381.472 3.239 0 1 GGAF Fc1cccc2c1[C@H](c1cnc(I)nc1)N1CCC[C@H]1C2 963096168 CSIMNLYSVOQPBK-WFASDCNBSA-N 395.219 3.330 0 1 GGAF CC1(C)OC(=O)N[C@@H]1[C@H]1CC[C@@H]([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)CC1 962898809 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28822694 LVXWALKAOMXUDJ-UHFFFAOYSA-N 376.196 3.420 0 1 GGAF CCOC(=O)Cc1cc(O)cc(O)c1C(=O)CCCC[C@@H](CC)OC(C)=O 2356822631 FXMOPLANHSGUCS-MRXNPFEDSA-N 380.437 3.288 0 1 GGAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)[C@H](c2cc4c(cc2O)OCO4)CO3)O1 14559500 AOFUWUOPIXODTE-LBPRGKRZSA-N 382.368 3.370 0 1 GGAF biogenic COc1ccccc1OCCNC[C@H](O)COCC12CC3CC(CC(C3)C1)C2 96939682 XVFGNLLUHQRAFB-QSVDNLTKSA-N 389.536 3.258 0 1 GGAF COc1ccc(C2=C[C@@H](c3oc(CO)cc(=O)c3O)c3ccccc3O2)cc1 299855251 AUKYUGQKSQROMH-QGZVFWFLSA-N 378.380 3.412 0 1 GGAF O=c1nc(O)cc(COCc2ccc(Cl)cc2)n1COCc1ccccc1 653850037 CGKYUJUYGXTCKM-UHFFFAOYSA-N 386.835 3.493 0 1 GGAF NC(=O)c1cccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586998676 ODVVWOAPDGBTKK-PLNGDYQASA-N 386.205 3.323 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]1OC1CN(C(=O)OC(C)(C)C)C1)O2 587397358 ZYEDPIOKQZKFPZ-UTKZUKDTSA-N 388.464 3.080 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cn1c(=O)oc2ccccc21 587587717 OCAKBILEQFFZMJ-RBUKOAKNSA-N 389.363 3.331 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3C[C@@H](O)[C@@H](C1)N3Cc1ccccc1)O2 587400047 OEELIFWFQVNJNM-UGTJMOTHSA-N 378.472 3.079 0 1 GGAF COc1cc2c3c(c1)O[C@](Cn1nc(C)cc1C)(c1cccc(N)c1)[C@@H](C2)C3=O 587433378 WZAAIRROZHYOAQ-WMZHIEFXSA-N 389.455 3.434 0 1 GGAF COC(=O)c1cc(Cl)c2[nH]c([C@]3(N)CCc4cc(OC)ccc4C3)nc2c1 587246650 IITOMGUPDSEEHE-FQEVSTJZSA-N 385.851 3.354 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2S(C)(=O)=O)N1 587845349 AIZKWVJDYBURSF-ZXIHIIQKSA-N 390.318 3.305 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(n1)OCCN3C(=O)C(C)(C)C)O2 587397369 AHZOXMBEOKFLKT-GOSISDBHSA-N 395.459 3.450 0 1 GGAF O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)C(F)(F)F)cc1 587651273 GJLVTLCIMYKGCM-UHFFFAOYSA-N 388.754 3.333 0 1 GGAF Cn1ccnc1[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577187 MPLCDUOIHTZYIK-AUSIDOKSSA-N 399.406 3.426 0 1 GGAF O=C1Nc2cc3c(cc2[C@]12c1c(F)cccc1C[C@@H]1CCCN12)OCCCO3 963102473 KHDWBQHWTKREAE-FPTDNZKUSA-N 380.419 3.203 0 1 GGAF 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388.405 3.133 0 1 GGAF CNc1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 653871767 VSKPQUNFGGVLJD-UHFFFAOYSA-N 376.416 3.054 0 1 GGAF CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(OCC(=O)O)=CO1 587832752 KTWRUVHTTFGYKZ-XLFHBGCDSA-N 398.228 3.194 0 1 GGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)nc4[nH]3)CC2)cc1 586955918 ZVZCMFKRPUONFU-UHFFFAOYSA-N 390.896 3.488 0 1 GGAF COc1cc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c2cc1C 587024103 NZPMDRVPFDFDBP-UHFFFAOYSA-N 375.454 3.091 0 1 GGAF Nc1c(F)cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1F 587135252 XDGFOQOXLSMCJD-UHFFFAOYSA-N 377.294 3.384 0 1 GGAF Cc1ccc2c(ccc3nc(-c4nccnc4I)[nH]c32)n1 587186308 HITCWELCEDXVTK-UHFFFAOYSA-N 387.184 3.481 0 1 GGAF CN(C)C(=O)c1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984948 WNZAZZDTCCFZJM-AWEZNQCLSA-N 387.281 3.270 0 1 GGAF CCOC(=O)C[C@]1(C2CCOCC2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962557565 AFGCFUSFGWTDHN-NYHFZMIOSA-N 391.508 3.155 0 1 GGAF CC(C)c1cc(CNC(=O)c2ccc(F)c(OC3CCN(C)CC3)c2)on1 1772635972 WIRGPHHBGZZDQJ-UHFFFAOYSA-N 375.444 3.340 0 1 GGAF C[C@H]1CN(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)C[C@@H](C)O1 1772640406 YPUOOMBJODHEOW-BETUJISGSA-N 375.432 3.356 0 1 GGAF COc1ccccc1CCNc1nc(CN(CCO)C(C)C)nc2ccccc12 11787379 QZKPLKDTSZUOJK-UHFFFAOYSA-N 394.519 3.496 0 1 GGAF NCCCCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 14967015 CXISKZTXKGURIN-OAHLLOKOSA-N 399.354 3.452 0 1 GGAF Cc1ncc(F)cc1[C@@H]1CCCN1c1ccn2ncc(C(=O)NC3(C)CC3)c2n1 169285409 OXVCBPXLNVQEGM-KRWDZBQOSA-N 394.454 3.196 0 1 GGAF COc1ccc(-c2cn(CC(=O)NC34CC5CC(CC(C5)C3)C4)nn2)c(C)c1 169310925 JWOOSDVCPTTWMU-UHFFFAOYSA-N 380.492 3.347 0 1 GGAF COc1ccc2cc3[n+](cc2c1OCCCCN)CCc1cc2c(cc1-3)OCO2 169321210 ADQHJFAMMJJPNX-UHFFFAOYSA-N 393.463 3.205 0 1 GGAF O=C(Nc1ccc(O[C@H]2CCN(C(=O)C3CC3)C2)cc1)N1Cc2ccncc2C1 166838316 SLHUTUPTISMNHP-FQEVSTJZSA-N 392.459 3.019 0 1 GGAF O=C1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)CCN1Cc1cccnc1 59288542 VFNFGBVXYFZQCM-UHFFFAOYSA-N 397.784 3.238 0 1 GGAF CN(C(=O)CCCCc1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1 26938330 FIDKQCGAJPGIAR-UHFFFAOYSA-N 382.508 3.123 0 1 GGAF COc1ccccc1C1CCN(c2[nH]c(=O)[nH]c(=O)c2Cc2ccccc2)CC1 28708023 OTNBHAGJVFDFBS-UHFFFAOYSA-N 391.471 3.047 0 1 GGAF Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@]1(C)C(=O)NCc1cccs1 61897161 VFOZBURCHZFTJG-KRWDZBQOSA-N 397.422 3.391 0 3 GGAF CCc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(C)CCC(C)C 61902944 LLFULTACDSXGQL-UHFFFAOYSA-N 396.539 3.396 0 3 GGAF C[C@]1(O)CCN(C(=O)c2ccccc2F)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356453360 VQMARVCSENKPEC-QTEQDKRBSA-N 396.462 3.059 0 1 GGAF NC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccc(Cl)c(Cl)c1 114344073 UALHJBCHHRMERK-CQSZACIVSA-N 376.247 3.147 0 1 GGAF c1ccc(CN2CC[C@@H]3CN(c4ncnc5oc(-c6cccnc6)nc45)C[C@H]32)cc1 28116004 MVBXUSCMBDMSDB-RTBURBONSA-N 398.470 3.391 0 1 GGAF Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3cnn(C)c3)cc2c1 66262218 UIOHNMVPCQUOFG-UHFFFAOYSA-N 376.416 3.006 0 1 GGAF O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2Cl)C1 95555628 CJJBKJQFJWSFBM-CYBMUJFWSA-N 379.865 3.492 0 1 GGAF CN(C)c1nc([C@@H](N)Cc2cccc(F)c2)nc2ccc(-c3cn[nH]c3)cc12 95591861 WISDSCBNPFMRSU-SFHVURJKSA-N 376.439 3.468 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(C(N)=O)c2)N1 587749992 QYAQLJHUPHPTBG-YYSFKGJASA-N 393.256 3.190 0 1 GGAF Clc1cccnc1-c1nc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cs1 587016922 FAVCGNIQEVOQIA-UHFFFAOYSA-N 380.824 3.378 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)(C(F)(F)C(=O)O)N1 587701195 AOJPTNIGNRCWEX-UOWDBTKRSA-N 378.188 3.448 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cc(Br)cnc1OC)[C@@H](C2)C3=O 587416401 AIQSJZJWCJHBKZ-ZBEGNZNMSA-N 376.206 3.350 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CN(C)N[C@@H]2C(F)(F)F)N1 587723278 WKHUHVLIXMEVLC-JWKJARAVSA-N 396.226 3.161 0 1 GGAF NC(=O)c1c(O)ncc2c1CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587105038 ZQDSINMPVCCBJN-UHFFFAOYSA-N 393.402 3.411 0 1 GGAF O=C1c2ccc(O)cc2O[C@](Cn2cncn2)(C2CC2)[C@H]1c1ccc(F)cc1 587343009 QWFMWDYBRCTIHZ-PZJWPPBQSA-N 379.391 3.331 0 1 GGAF COc1cccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 586953261 KVGBRUCIKLOLOB-UHFFFAOYSA-N 386.458 3.496 0 1 GGAF Cc1c(I)cnn1[C@@H](C)c1nc2ccc(Cl)nc2[nH]1 587181756 BXSYSLSOGGYYBN-ZETCQYMHSA-N 387.612 3.330 0 1 GGAF COc1ccc(-c2cc3c(=N[C@@H](CC(N)=O)c4ccccc4)nc[nH]c3o2)cc1 1772655935 XWRRGLKSBBKFNB-SFHVURJKSA-N 388.427 3.349 0 1 GGAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cc(C)on2)c1F 1772576264 BXJIJHBQNNJIMW-TVQRCGJNSA-N 381.835 3.311 0 1 GGAF COc1c(C)cnc(C[S@](=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1C 13451991 DINJNXVAXRKZEJ-AREMUKBSSA-N 381.404 3.493 0 1 GGAF COc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2Cl)ncc1Cl 169705156 YTCLLCSTOOHKSF-UHFFFAOYSA-N 383.235 3.008 0 1 GGAF CCC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@]3(OC)C[C@H]2[C@@H]1O 2356421063 XRRGBBOAMABCAA-MGVMNNGHSA-N 392.492 3.288 0 1 GGAF COc1cc(-c2cnc3[nH]cc(-c4cnc(N)nc4)c3c2)cc(OC)c1OC 68243579 GNZKXRXWADXJOQ-UHFFFAOYSA-N 377.404 3.295 0 1 GGAF COc1ccc(S(=O)(=O)N(C)[C@@H]2CCN3CCc4ccccc4[C@@H]3C2)cc1 29215152 JBBDMRVMRNCROY-UTKZUKDTSA-N 386.517 3.078 0 1 GGAF COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1 28818024 HVNNDZMWORMJPO-DEOSSOPVSA-N 396.531 3.374 0 1 GGAF COc1ccc2c(c1OC)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(OC)CCC(=O)C3 28224435 FVQWOGSGFWORSW-UEVCKROQSA-N 385.504 3.120 0 1 GGAF CC1(C)c2cc(OC[C@@H]3C[C@@H](O)CN3)ccc2C(=O)c2c1oc1ccccc21 114801995 GABBBLWSJNIOGL-UONOGXRCSA-N 377.440 3.405 0 1 GGAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@H]2C(=O)OCCc1ccccc1 36177062 WSTBUYSFCXEAIP-MLNNCEHLSA-N 393.483 3.481 0 1 GGAF COC(=O)C[C@H](CCCCc1ccc(NC(=N)N)cc1)c1cccc(C(=N)N)c1 38426587 FKTIPOLHKSMAHY-KRWDZBQOSA-N 395.507 3.336 0 1 GGAF CC[C@H](O)CC[C@@H](C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O 85629552 CBTSLSLFSWDSKP-OTWHNJEPSA-N 396.480 3.138 0 1 GGAF biogenic,in-vitro COc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)ccc1O 48999034 TVTOSNJQUDDNPC-UHFFFAOYSA-N 378.432 3.438 0 1 GGAF C[C@]1(c2cccc(C(=O)O)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589293 ULCCBJMOXZIQLN-DYESRHJHSA-N 377.352 3.362 0 1 GGAF COC(=O)c1ccnc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587588760 SBFVEVYKLOATDO-PGRDOPGGSA-N 391.379 3.451 0 1 GGAF CNC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570464 IYAJACCAVSEKDO-DENIHFKCSA-N 377.396 3.174 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C(OCC)OCC)CC2=O 587483226 PVNUSLSIPAHHHN-NRFANRHFSA-N 394.464 3.401 0 1 GGAF COC1=C[C@]2(C[C@@H](C(=O)O)C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587601359 SGWDBGWVHTVLDV-VVUGWJFESA-N 382.368 3.118 0 1 GGAF CCCCOc1cc2nc([C@H]3CSCC(=O)N3)[nH]c2cc1Br 587044590 ZMZYZIGSEZNZOO-GFCCVEGCSA-N 384.299 3.408 0 1 GGAF COc1ccc2c(C)c(CCc3nc4cc(N)c(N)cc4[nH]3)c(=O)oc2c1C 586918200 JZERUOUMNRPESC-UHFFFAOYSA-N 378.432 3.244 0 1 GGAF CCNc1n[nH]c2cc(NC(=O)N[C@H](c3ccc(F)cc3)C(C)(C)O)ncc12 1772590086 MDKJGLFIVFIFQG-MRXNPFEDSA-N 386.431 3.163 0 1 GGAF S=C(Nc1ccc2ccccc2c1)Nn1c(S)nnc1-c1cnccn1 1772614510 IKZDUTMHCNGGOQ-UHFFFAOYSA-N 379.474 3.118 0 1 GGAF Cc1c(CC2CCCCC2)n(COCCc2ccc(F)cc2)c(=O)n(O)c1=O 1772615876 AOWDMGKOKFATOY-UHFFFAOYSA-N 390.455 3.034 0 1 GGAF CCCO[C@@H]1CCCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1 12750910 KNMLICYMZXSYHF-CQSZACIVSA-N 379.844 3.333 0 3 GGAF CCO[C@@]12CCC(=O)C[C@@]13CCN(CC1CC1)[C@@H]2Cc1ccc(O)c(OC)c13 13742491 AEDDGWOMKKVLRS-UEVCKROQSA-N 385.504 3.207 0 1 GGAF Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3(C)CC3)c2n1 169285131 OXVCBPXLNVQEGM-QGZVFWFLSA-N 394.454 3.196 0 1 GGAF Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C[C@@H]12 206390781 WBPSRWKILRBCDW-QGZVFWFLSA-N 387.439 3.124 0 3 GGAF COc1cccc(NC(=O)[C@H]2CCCN2C(=O)NCc2ccccc2OC)c1 201450414 PDZODMHIKMKNJE-GOSISDBHSA-N 383.448 3.017 0 3 GGAF N[C@@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1 205245923 HYWSOTQNDXXXJB-MRXNPFEDSA-N 385.475 3.400 0 1 GGAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CNC(=O)c1ccc2nccn2c1 205801105 LQAPARJGASQPRL-INIZCTEOSA-N 384.480 3.101 0 1 GGAF CC(C)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)nnc1N1CCOCC1 1857637695 DWCONNWGXXJPNM-UHFFFAOYSA-N 384.524 3.135 0 1 GGAF c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 1857751133 HTYJHPPHBQRXGX-XZOQPEGZSA-N 379.500 3.456 0 1 GGAF CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4692538 HFKAIASGHCYYRR-NJCLLKAFSA-N 392.536 3.253 0 1 GGAF O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1sc(OCC2CC2)nc1C1CC1 103246953 CWEPPYUBHMHVTJ-JFBDTULISA-N 388.533 3.479 0 1 GGAF COc1ccc(OC)c(C2=NN(C(C)=O)[C@@H](c3ccc(OC)c(OC)c3)C2)c1 28825562 OXBZPBVNKLOVSG-GOSISDBHSA-N 384.432 3.419 0 1 GGAF CCC[C@@H](C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncncc23)c1F 113488303 SGFYJAJJLZZCEB-LLVKDONJSA-N 390.440 3.258 0 1 GGAF CCNc1nc2cc(Cl)c(CC(=O)CCC(=O)OC)cc2nc1NCC 115765058 DZMGVLPRBNFFRZ-UHFFFAOYSA-N 378.860 3.212 0 1 GGAF CC=CC=CC=CC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356398563 VYUGROORELIDOB-WENLIBGGSA-N 390.520 3.075 0 1 GGAF CCCc1c(COc2ccc(Cc3nnn(C)n3)cc2)ccc(C(C)=O)c1O 27999125 CCKAUHCWAKYDHV-UHFFFAOYSA-N 380.448 3.241 0 1 GGAF COc1ccc(NC(=O)[C@H]2Cc3c(-c4cccc(C(C)=O)c4)ccnc3O2)cn1 61930658 XMQUPSAXMPEZRI-LJQANCHMSA-N 389.411 3.297 0 3 GGAF COc1ccc2nc3n(c(=O)c2c1)-c1ccccc1C(=O)N[C@@H]3Cc1ccccc1 61949322 MSNFFVASSFQKJU-HXUWFJFHSA-N 397.434 3.422 0 3 GGAF CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(COCC)nc12 138120753 SCGMXMDBDVEBET-UHFFFAOYSA-N 395.442 3.059 0 1 GGAF COc1ccc2c(c1OC)CN1CCc3c(cc(OC)c(OC)c3OC)[C@@H]1C2 14765547 ODXIINJWIDRSBL-KRWDZBQOSA-N 385.460 3.385 0 1 GGAF biogenic CN1CCN(c2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)CC1 96935101 WKAURGYHUMYRIP-UHFFFAOYSA-N 387.296 3.241 0 1 GGAF Cc1nc(-c2ccccc2)sc1Cc1nc2cccc(S(N)(=O)=O)c2[nH]1 587011932 OMXCQGKRNQGLHD-UHFFFAOYSA-N 384.486 3.233 0 1 GGAF COC(=O)c1cc2[nH]c(C3(c4ccc(O)cc4)CCOCC3)nc2cc1OC 586912561 HGBZNFOKZWOKNK-UHFFFAOYSA-N 382.416 3.160 0 1 GGAF CCOC(=O)C(=O)[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587594754 INBGUTVGAMXZED-WTBBCNCBSA-N 396.395 3.025 0 1 GGAF CC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 586928450 BWRAXESMZJJGQB-UHFFFAOYSA-N 377.853 3.240 0 1 GGAF CCOC(=O)C(=O)[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587798586 PAZCSZWRXYFVNN-GDAOTKPNSA-N 398.272 3.250 0 1 GGAF COc1cc2c3c(c1)O[C@](CCN1CCOCC1)(c1ccccc1)[C@@H](C2)C3=O 587442377 IWONBDBRFOTEFT-WMZHIEFXSA-N 379.456 3.060 0 1 GGAF COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587797950 UAJZUAGDTHNCFM-LZVRBXCZSA-N 391.240 3.327 0 1 GGAF Brc1c[nH]c2nc(-c3ccnc4[nH]cc(Br)c34)nc-2n1 587002345 DHRDTJHQNSEJPO-UHFFFAOYSA-N 394.030 3.373 0 1 GGAF O=C1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1 1772643980 JXSSFUUDDCRPIK-UHFFFAOYSA-N 387.317 3.466 0 1 GGAF CCc1nc2cc[nH]c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13736746 AAIHSHZCQFBIQU-UHFFFAOYSA-N 397.442 3.182 0 1 GGAF COc1ccc2c(C(=S)N(C)CC(N)=O)cc(C)cc2c1Br 13823558 TZORGYCABWUUTQ-UHFFFAOYSA-N 381.295 3.012 0 1 GGAF C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 15623811 RNUJSDSRCZPJRV-MVWJERBFSA-N 398.793 3.220 0 3 GGAF Cc1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CNC5)ccc32)no1 201325577 ODWMQJJKTIPUHH-UHFFFAOYSA-N 376.376 3.203 0 1 GGAF CCc1c(Cc2cccc3ccccc23)n2c(nc1=O)SC[C@H]2OCCO 1657670 TVYUHQCANCYRBZ-LJQANCHMSA-N 382.485 3.163 0 1 GGAF Cn1c(CN2CCN(c3cccc(Cl)c3)CC2)ccc1CN1CCCC1=O 13449365 WDDZMYMPOOXFJZ-UHFFFAOYSA-N 386.927 3.123 0 1 GGAF Nc1ccc2cccc(OCCCNC(=O)Nc3ccc4c(c3)OCO4)c2n1 28383210 ZRMAXFSHDLUCCI-UHFFFAOYSA-N 380.404 3.136 0 1 GGAF COc1ccc(CN2C=CC=C3C2=Nc2ccccc2N(C)S3(=O)=O)cc1 28637918 BZYBKZPBOCRORE-UHFFFAOYSA-N 381.457 3.418 0 1 GGAF CCCC[C@H](OC)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 29486988 CTHDNCFMWDFCSN-RBYWMZSDSA-N 384.513 3.100 0 1 GGAF CCn1c(=O)c2c(nc(/C=C/c3cccc(C(F)(F)F)c3)n2C)n(CC)c1=O 33984794 NUIFAKZQWNPAII-MDZDMXLPSA-N 392.381 3.126 0 1 GGAF NC(=O)Nc1sc(-c2ccc(Cl)cc2)cc1C(=O)N[C@H]1CCCNC1 40394718 MZBVMTJFZZINAF-LBPRGKRZSA-N 378.885 3.041 0 1 GGAF in-vitro COc1ccc([C@@H](OCC(=O)N2CCSCC2)c2ccncc2Cl)cc1 45302747 SZPLCMOEHXHWKO-LJQANCHMSA-N 392.908 3.425 0 1 GGAF NC(=O)[C@H](CC(=O)c1csc([C@@H]2CCCNC2)n1)Cc1c[nH]c2ccccc12 73164866 YGCUUNIGCRTIFV-KGLIPLIRSA-N 396.516 3.008 0 1 GGAF Cn1/c(=N/c2ccccc2)[nH]c2cnc(Nc3ccc(S(C)(=O)=O)cc3)cc21 82082969 IKLLGMKIFXOEMM-UHFFFAOYSA-N 393.472 3.281 0 1 GGAF COc1ccc2c(c1)[C@@H]1NC(=S)N[C@@](C)(O2)[C@H]1C(=O)Nc1ccc(C)cc1C 100030876 SKGFNVJFCBPWOT-LQWHRVPQSA-N 397.500 3.194 0 1 GGAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(OC4CCOCC4)cc3)c3c(N)nccn32)C1 100619135 LRTJWMXQQLWFQQ-FVUUGDKNSA-N 394.475 3.165 0 1 GGAF CN1[C@@H]2CC[C@@H]1[C@@H]1COC(=O)CCSCCC(=O)Nc3ccc(cc3)[C@@H]1C2 101093933 LXDSBNMMECZLMT-FCGDIQPGSA-N 388.533 3.262 0 1 GGAF C[C@@H](O)COc1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 114337639 IHCQSKFOQWOBBA-OXQOHEQNSA-N 380.492 3.399 0 1 GGAF COC(=O)[C@H]1/C(=C/N2CCCc3ccccc32)NC(=O)N[C@@H]1c1ccc(F)cc1 169687448 ZRCLUFXBILLWMZ-HBDYDMGHSA-N 395.434 3.263 0 1 GGAF Cc1cnc(Nc2ccccc2)nc1-c1cc2c(o1)CCN(S(C)(=O)=O)C2 205917251 TVJNBKVDXCSXIF-UHFFFAOYSA-N 384.461 3.106 0 1 GGAF CC[C@H](c1nc2ccnc(OC)c2[nH]1)n1cc(I)c(C)n1 587185704 WNPJUKTUXGSDLZ-LLVKDONJSA-N 397.220 3.075 0 1 GGAF O=C(O)CCN(CCc1nc2c(F)cnc(Cl)c2[nH]1)Cc1ccccc1 587193406 JRFFCRTVWVCKHV-UHFFFAOYSA-N 376.819 3.270 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@H](C(=O)O)c3ccc(F)cc3)CC1)O2 587384751 OJRZOVDQLWETEJ-IBGZPJMESA-N 398.434 3.342 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1F)[C@@H](C2)C3=O 587427588 JXAPNJPRYXMFNI-AGKSTNPPSA-N 377.412 3.160 0 1 GGAF COc1cc2c3c(c1)O[C@](C)([C@@H]1CN(Cc4ccccc4)CCO1)[C@@H](C2)C3=O 587437865 LTHUNJAAZMTLRX-LEDOBFOHSA-N 379.456 3.102 0 1 GGAF CN(C)/C=C/[C@]1(c2ccn(C)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582578 PZBPBBULCGTGEG-XYLWYCRCSA-N 391.427 3.058 0 1 GGAF O=Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C=O)c1O 587608565 LPNKJPZXMQVZTC-XMSQKQJNSA-N 390.347 3.426 0 1 GGAF Cc1ccc2c(c1N)[C@]1(NCCc3nc4ccccn4c31)c1ccccc1C2=O 962981864 GISYETKYQIKCNI-XMMPIXPASA-N 380.451 3.207 0 1 GGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2cc(-n3ccnc3)cs2)N1 963218119 CARMECMDZYHWTJ-PKOBYXMFSA-N 376.441 3.170 0 1 GGAF CCOC(=O)c1c(N)oc(C)c1[C@]1(C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963630119 BQIUBTNSAWZGGX-MQJDWESPSA-N 388.464 3.162 0 1 GGAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)C1CCNCC1 1772613517 YELPRJIQGDXTPS-YBEGLDIGSA-N 382.439 3.201 0 1 GGAF COc1cccc(CN(C(=O)Cc2ccccc2)[C@@H](C(N)=O)c2ccccc2)c1 1772632027 VXYXSUISAPZQBL-HSZRJFAPSA-N 388.467 3.493 0 1 GGAF C[C@H](CO[N+](=O)[O-])C[C@@]12C[C@H]3C[C@@](N)(C1)C[C@@](C[C@@H](C)CO[N+](=O)[O-])(C3)C2 1857656218 QNZPCORZIYZMEK-SSDAWUQTSA-N 385.461 3.123 0 1 GGAF COc1ccc(CC(=O)N2N=C(c3ccccc3C)C[C@@]2(O)C(F)(F)F)cc1 1857751449 LYTVLGMQEUSUMM-LJQANCHMSA-N 392.377 3.434 0 1 GGAF COc1ccc2nc(C[C@H]3CN(C(=O)CC(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356328487 VXXRVINVYYKRET-CABCVRRESA-N 387.480 3.100 0 1 GGAF CCN(CC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@H]2[C@H]1O 2356536688 QESXGMPOBFHENL-XASOAROUSA-N 392.584 3.209 0 1 GGAF CC1CCC(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1 12479755 SSMIPXUSAGLZAX-UHFFFAOYSA-N 383.469 3.372 0 3 GGAF COc1ccc(NC(=O)N2CCC(CO)(C[C@H]3CCCCO3)CC2)c(OC)c1 13596585 KHAZYODIMXBPFG-QGZVFWFLSA-N 392.496 3.269 0 3 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCC(C)(C)CO 770931 KUPJLBGRSUDPBM-CTNGQTDRSA-N 396.487 3.312 0 1 GGAF O=C1Nc2ccc(-c3cnco3)cc2/C1=C/Nc1ccc2c(c1)CS(=O)(=O)C2 8552693 FTQYGMLRLRXBPT-IDUWFGFVSA-N 393.424 3.175 0 1 GGAF in-vivo CC(C)OC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2 101108911 QWDITFKPXOAYGE-FPCVCCKLSA-N 399.272 3.467 0 1 GGAF CCC=CCC=CC[C@H]1[C@H](C=C[C@H](O)CC=CCCC(=O)O)[C@@H](O)C[C@H]1O 2356312724 HLOKCEDYFAXGRQ-IFLJBQAJSA-N 378.509 3.375 0 1 GGAF CCC(=O)N1[C@H](CN(CC)C(=O)c2ccc(F)cc2)[C@H](c2ccccc2)[C@@H]1CO 95895423 BFKGWLLXKNNDRP-URVUXULASA-N 398.478 3.053 0 1 GGAF CN1C(=O)CC[C@H]1COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 143443938 SHASPRRXWFWZEL-BUXKBTBVSA-N 377.362 3.465 0 1 GGAF O=C1NCN(c2ccccc2)C12CCN([C@H]1CCOc3cccc(F)c31)CC2 473119549 AZWXMFKNAMIHKS-SFHVURJKSA-N 381.451 3.078 0 1 GGAF C[C@@H]1NC(=O)Nc2nc3c(-c4ncccn4)cc(-c4cncc(F)c4)cc3n21 299841112 XZGWARYWNCFXAI-SNVBAGLBSA-N 375.367 3.348 0 1 GGAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)cc1 587786426 QOAWQGBIKZCQOH-RTBURBONSA-N 390.487 3.258 0 1 GGAF COc1cc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2cn1 586985648 XNZYJFRCIZBIQU-AWEZNQCLSA-N 389.253 3.149 0 1 GGAF Cc1cc(F)c2[nH]c(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)nc2c1 587121084 REGGRDFLQBJFAM-UHFFFAOYSA-N 393.344 3.434 0 1 GGAF COCCc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587584889 BMZCOESODVOZPB-GHTZIAJQSA-N 378.384 3.074 0 1 GGAF COC1=C[C@]2(C[C@H](C(=O)O)C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587806982 BUFLUOKXARMWNN-JHXNIKBNSA-N 384.245 3.343 0 1 GGAF Cc1c(C)c2ccc(O[C@@H](C)c3ccc4c(O)nc(O)nc4n3)cc2oc1=O 587562599 HHAKJSOENTYCNJ-NSHDSACASA-N 379.372 3.299 0 1 GGAF CC(=O)N(C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(C)=O 587339098 RHBXDLYYQXKXDK-CTNGQTDRSA-N 385.391 3.044 0 1 GGAF Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N3C[C@H](C)C[C@@H](C)C3)sc2n1 752893 QENSWSUIVAQTCN-CHWSQXEVSA-N 388.537 3.263 0 1 GGAF COC[C@@H](C)Oc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)ncc12 1772650438 ANFCAHFZTVTPAQ-VXGBXAGGSA-N 387.415 3.393 0 1 GGAF COc1cccc(CN2CCC[C@]3(CCN(Cc4ccccn4)C3)C2=O)c1OC 11821232 SIIYHYBXCTXFAJ-HSZRJFAPSA-N 395.503 3.114 0 1 GGAF COc1ccc(NC(=O)N2CCC[C@H](C(=O)NCCc3ccccc3)C2)cc1 12472207 WLCJRYRDQZJYPS-SFHVURJKSA-N 381.476 3.298 0 3 GGAF CCN(CC)C(=O)c1[nH]c2c(c1C)C[C@H]1CN(C)CC[C@]1(c1cccc(O)c1)C2 13606303 DLMLWLMTUDAVSC-MHECFPHRSA-N 395.547 3.499 0 1 GGAF O=C(NCCCCCCNC(=O)N1Cc2ccc(F)cc2C1)c1cccnc1 166973311 MDKVBSMIEASQON-UHFFFAOYSA-N 384.455 3.236 0 1 GGAF CC(C)C(=O)N1CC[C@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 168009340 KONWNNYUEMJZFS-FQEVSTJZSA-N 394.475 3.265 0 1 GGAF CO[C@@H]1O[C@H]2CCN(C(=O)OCc3ccccc3)[C@H]2[C@H]1OCc1ccccc1 6403209 CKBNYTXRUSOIJZ-DOIPELPJSA-N 383.444 3.354 0 1 GGAF C[C@H](c1ccc(Oc2ccccc2)cc1)N(C)c1ncc2c(=N)[nH]c(=N)nc-2[nH]1 1857558897 BJGPUQYDPHZEKB-CYBMUJFWSA-N 387.447 3.186 0 1 GGAF COc1ccc([C@H](O)CCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 1857745510 NWFHEKGJBBFSSM-LJQANCHMSA-N 387.476 3.203 0 1 GGAF CCCCc1nc2c(=N)[nH]c3cc(C(=O)OC)ccc3c2n1CCCCC(=O)O 1857745523 SCAXCOLYCZYNNY-UHFFFAOYSA-N 398.463 3.381 0 1 GGAF Cc1c(C(=O)NC2CC2)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc12 2459823 QEUBHGFCPXABIR-BETUJISGSA-N 390.505 3.300 0 1 GGAF COc1ccc(C(=O)c2c(F)n(CCN3CCOCC3)c3ccccc23)cc1 26835423 ZCKOKLRUGHBMIS-UHFFFAOYSA-N 382.435 3.352 0 1 GGAF Brc1ccc([C@@H]2C=C(c3ccc4c(c3)OCO4)Nc3nnnn32)cc1 101071702 NBSXILOMFUKURC-AWEZNQCLSA-N 398.220 3.220 0 1 GGAF O=C1CN2Cc3cc(OCCCC(=O)n4ccc5ccccc54)ccc3N=C2N1 26940221 PVROMFIPQMSUMW-UHFFFAOYSA-N 388.427 3.074 0 1 GGAF COCCNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)cs2)CC1 61903219 WVFFGGTZUXFJOX-KRWDZBQOSA-N 386.517 3.420 0 3 GGAF COc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]2)cc1OC 64511957 PZIPKZZOBVAUMC-UHFFFAOYSA-N 398.415 3.351 0 1 GGAF Cc1cccc(N2CCN(C(=O)COc3noc4nc(C)cc(C)c34)C[C@@H]2C)c1 61935675 BKCAQRNMUSHHJI-KRWDZBQOSA-N 394.475 3.264 0 3 GGAF CC(C)c1ccc(CC(C)(C)NC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)cc1 45298986 NUVMTNRDBTVIOF-IBGZPJMESA-N 398.503 3.491 0 1 GGAF O=C(NCc1ccccc1)[C@@H]1CNC[C@H]1C(=O)Nc1cccc(-c2ccccc2)c1 84728485 DEBBKQGGUOMJOS-DHIUTWEWSA-N 399.494 3.444 0 1 GGAF CC(=O)Nc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1 147810494 YRPRQTIMNWFXBO-CXAGYDPISA-N 390.443 3.159 0 1 GGAF COc1cc2cc(NC(=O)CCN(C)Cc3ccccc3)c(=O)oc2cc1OC 95595734 DTBUKCANUGWOCS-UHFFFAOYSA-N 396.443 3.271 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1 587871728 BVJDWMMOBPUJHI-OAGGEKHMSA-N 389.471 3.473 0 1 GGAF Fc1ccc(Br)c(-c2nnc(CCc3nc4ncc[nH]c-4n3)o2)c1 587157216 JBDJJPNDGRRKCD-UHFFFAOYSA-N 389.188 3.041 0 1 GGAF O=S(=O)(c1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1)C(F)(F)F 586917362 CLGIMMOFNYTUMS-AWEZNQCLSA-N 384.335 3.369 0 1 GGAF OCc1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 586895779 YLXWSMOTJAUNKP-UHFFFAOYSA-N 385.592 3.375 0 1 GGAF NC(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 587173025 QGHPKMODKZRONU-UHFFFAOYSA-N 380.354 3.257 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)CCO)nc2)N1 587739930 IOOAZQSFEJNRBY-ZMZPIMSZSA-N 394.288 3.035 0 1 GGAF O=C(O)c1ccc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1F 962975870 ZFKXFBZLSLXHTF-SWLSCSKDSA-N 385.725 3.144 0 1 GGAF Cc1[nH]nc(O)c1C(c1ccc(OCc2ccncc2)cc1)c1c(O)n[nH]c1C 1772570421 HSQRCMCFCODCBI-UHFFFAOYSA-N 391.431 3.315 0 1 GGAF COC[C@@H]1CCCN(C(=O)[C@H]2CCCN(c3nc(C)c4ccc(C)cc4n3)C2)C1 11966405 LEIOYXDWDVPTCB-MOPGFXCFSA-N 396.535 3.348 0 1 GGAF CCCc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1 13449329 VFYIFYPQQPJZIN-UHFFFAOYSA-N 394.563 3.422 0 1 GGAF C[S@](=O)(CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1)=NC#N 204948029 IHUSDVVWAWWCBX-NDEPHWFRSA-N 395.444 3.490 0 1 GGAF CC1(C)C[C@@H]1N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 148586501 ZMAZCCGSJZVPEH-YWZLYKJASA-N 386.517 3.216 0 1 GGAF CC(C)S(=O)(=O)N[C@H]1CCC[C@@H]1c1ccc(I)cc1 13473546 HIEFOCVVJHTIMX-KGLIPLIRSA-N 393.290 3.255 0 1 GGAF Cc1ccc(-n2nc3c(c2NC(=O)Cc2ccc(F)cc2)C[S@](=O)C3)cc1 4105666 OMAJBLTWQAVOPI-HHHXNRCGSA-N 383.448 3.263 0 1 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H](C)CN(C)C 4151868 QYEQWAMLFYUAEE-BUKVSMQUSA-N 395.503 3.243 0 1 GGAF CCOc1c2ccc(C(=O)NCc3ccc(OC)cc3)cc2nn1CCOC 8762969 QVFBFJBVJQMDOB-UHFFFAOYSA-N 383.448 3.020 0 3 GGAF C/C=C/[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](CC(C)C)C(=O)N1 103265345 VVKOOWXMBMVFLN-NCWIEVAOSA-N 385.439 3.412 0 1 GGAF O=C(NC1CC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1 114868501 UIKPTRHFTPOLFD-UHFFFAOYSA-N 390.487 3.085 0 1 GGAF O=C1NC(=S)N/C1=C/c1cc2cc(-c3ccc4c(c3)COC4=O)ccc2o1 101464028 NJEMBJLUIKUGLA-LZYBPNLTSA-N 376.393 3.115 0 1 GGAF Cn1c(CO[C@@H]2CN(Cc3ccc4c(c3)OCCO4)C[C@@H]2F)nc2ccccc21 2356299335 GPGGCUBFGFNWGY-HRAATJIYSA-N 397.450 3.084 0 1 GGAF CCCCCCN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356507789 HHJJCXLDMWYKPN-CBPXPLCBSA-N 383.536 3.214 0 1 GGAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 2356509053 AIJGDFIPPIWACF-SCTDSRPQSA-N 397.485 3.487 0 1 GGAF COc1ccc(CN2C(=O)[C@](O)(c3ccc4c(c3)OCO4)c3ccccc32)cc1 71334032 SOZRMAQKNZDHCN-QHCPKHFHSA-N 389.407 3.207 0 1 GGAF CCOC(=O)C(=O)Nc1ccc2nc(NC(=O)c3ccc(OC)cc3)sc2c1 1911574921 GPISEAOWVFXTCR-UHFFFAOYSA-N 399.428 3.059 0 1 GGAF CN(C)CCCOc1ccc(CCNC(=O)c2ccc[nH]2)cc1Br 43075215 GBYFCAGWTKHNJS-UHFFFAOYSA-N 394.313 3.080 0 1 GGAF Cn1cc(N2C(=O)c3[nH]ncc3[C@@H]2c2ccc(Cl)cc2)cc(Cl)c1=O 220340193 WMLLDTCULACFBH-HNNXBMFYSA-N 375.215 3.165 0 1 GGAF O=C(Nc1ccccc1)OCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1 95579210 ATULJSMRIAVHMJ-SFHVURJKSA-N 394.431 3.269 0 1 GGAF Cc1cc(N)nc(CCc2cccc([C@H](CN)Cc3cc(C)cc(N)n3)c2)c1 98209387 ZFHITWHLDPDYFG-IBGZPJMESA-N 375.520 3.328 0 1 GGAF in-vitro CN1CCC(NC[C@H](O)COc2ccc3cc(Br)ccc3c2)CC1 96903467 JIRODWLZHQDZBM-SFHVURJKSA-N 393.325 3.026 0 1 GGAF CC[C@@H](NC(=O)c1cc(C(=O)N(CC)CC)n2c1COCC2)c1ccccc1 146129105 HTPUBHYKCRGUNT-GOSISDBHSA-N 383.492 3.381 0 1 GGAF COc1ccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c(OC)c1C 587786755 GDMNTEVBUWGPEL-UHFFFAOYSA-N 378.432 3.311 0 1 GGAF N=c1nc2c(c[nH]1)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333767 ICTYMNJPSPOROE-UGKGYDQZSA-N 391.402 3.325 0 1 GGAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cnncc4[nH]3)cc2)cc1F 587148077 ZFTRONQLCYBNJG-UHFFFAOYSA-N 375.407 3.500 0 1 GGAF Cc1ncc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(C)c1Br 586979602 RIKAFPYFHNAGSB-UHFFFAOYSA-N 382.239 3.251 0 1 GGAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(I)cnc3[nH]1)O2 587175019 VKBYDUMHOZOTDJ-LBPRGKRZSA-N 381.148 3.378 0 1 GGAF Ic1cncc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587184039 AZJMJKWZLUVEBR-UHFFFAOYSA-N 393.184 3.391 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(=O)O)nc2)N1 587767482 BBIYAWNASJFQNX-XYZCENFISA-N 379.229 3.479 0 1 GGAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)C1CCCC1 587226483 QRCKAMVQBHMJBY-INIZCTEOSA-N 383.456 3.295 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CC(=O)O)nc1-c1ccccc1)O2 587389694 CHJNRHPQBFXGTL-GOSISDBHSA-N 377.400 3.232 0 1 GGAF COc1ccc2c(c1)OC(C)(C)C[C@@]21N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963524207 JTGKDSUXJYRAPI-KSFYIVLOSA-N 383.444 3.113 0 1 GGAF O=C(O)c1ccc2c(c1)[C@@]1(C(=O)N2)c2cccc(F)c2CCN1[C@H]1CCSC1 962716830 WNKZKPJVFNARBL-YEJXKQKISA-N 398.459 3.083 0 1 GGAF CC(C)(C)CC(=O)Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 13476884 UXVCFMQMDYXTHZ-SFHVURJKSA-N 382.460 3.487 0 1 GGAF O=C1Cc2c(n(Cc3ccc(Br)cc3F)c(=O)c3ccccc23)O1 13601444 YJRSMRJKMMKHOC-UHFFFAOYSA-N 388.192 3.413 0 1 GGAF Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3cccnc3N(C)C2=O)c1 13732975 ZOQCSOFSLFDFSK-FQEVSTJZSA-N 399.454 3.352 0 1 GGAF N[C@H](COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1c[nH]c2ccccc12 14962176 XKFSQFMROSGGGZ-KRWDZBQOSA-N 384.443 3.450 0 1 GGAF COC(=O)C1=C(C)N2CCS[C@@]2(C)[C@@H](C(=O)OC)[C@@H]1c1cccc(Cl)c1 17220880 HTOPLRWJQODIPS-MDZRGWNJSA-N 395.908 3.438 0 1 GGAF CC(C)n1c(=O)nc(Nc2ccc(C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O 200509944 NZRBAYNKFGYVJA-UHFFFAOYSA-N 395.850 3.303 0 1 GGAF Cc1c(C(=O)N2CCC(C(C)(C)C)CC2)cnn1-c1nc(O)c2c(n1)CCC2 1857610344 TVCAELKSNLMUNF-UHFFFAOYSA-N 383.496 3.063 0 1 GGAF C[C@]12C[C@H](c3ccccc3O1)[C@@H](C(=O)NC13CC4CC(CC(C4)C1)C3)C(=O)N2 6009961 RHWLBKOVCMUYOM-OTOWEJHASA-N 380.488 3.100 0 1 GGAF CSc1nc(CCO)cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 28653422 LAGZKWCWYMBZJR-UHFFFAOYSA-N 398.454 3.079 0 1 GGAF COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@](C)(O)C(C)C)c(F)c1 29128579 PVZLGDZOZMXDFG-NRFANRHFSA-N 391.414 3.442 0 1 GGAF COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=S)Nc1ccc(Cl)cn1 26575462 FBRXNRZIRPAUDG-HNNXBMFYSA-N 388.880 3.287 0 1 GGAF CCOC(=O)c1cc2c3n(c1=O)-c1ccccc1[C@@]31CCN3C[C@@H](CC)[C@H]2C[C@H]31 2356514530 IBDFFSJHPFBKGZ-NDJZIXSNSA-N 390.483 3.215 0 1 GGAF CCNC(=O)N1CC[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1 28896473 WUFVFWHZRSJNAV-GFCCVEGCSA-N 384.871 3.494 0 1 GGAF COC(=O)[C@@H]1C[C@H](F)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 64539702 MPJYQVPXSUIDAH-CEFSSPBYSA-N 392.423 3.407 0 1 GGAF COc1c(O)cc(O)c(-c2coc3cc(O)ccc3c2=O)c1CCC(C)(C)O 14762959 DZZKNTCXUSMJIR-UHFFFAOYSA-N 386.400 3.289 0 1 GGAF biogenic CN(C)CCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72178682 YXHSZZPOIVFHSD-ZDUSSCGKSA-N 395.347 3.457 0 1 GGAF O=C(Nc1ccc(N2CCOCC2)nc1)c1nc(-c2ccccc2)oc1Cl 73167218 QRBGHYWWUNTFCH-UHFFFAOYSA-N 384.823 3.479 0 1 GGAF CC(=O)Nc1ccc(Cc2noc(CCC(=O)Nc3ccc(F)cc3)n2)cc1 40918874 IWEIBYMIDSGTER-UHFFFAOYSA-N 382.395 3.329 0 1 GGAF COc1ccccc1CCN1C=CC=C2C1=Nc1ccccc1OS2(=O)=O 40848167 KUEPBTBDOOQNTM-UHFFFAOYSA-N 382.441 3.403 0 1 GGAF Cn1nc(C(=O)NC2CCCC2)c2c1-c1nc(Nc3ccccc3)ncc1CC2 43075886 JBZSHFMYVGCDBI-UHFFFAOYSA-N 388.475 3.392 0 1 GGAF O=C(OCc1cccs1)c1cnn2c1[nH][n+](=O)c1cc(C(F)(F)F)ccc12 377825220 LMNWPNUIVKGMNX-UHFFFAOYSA-O 395.342 3.167 0 1 GGAF COc1cc(-c2oc3c(OC)c(OC)ccc3c(=O)c2OC)c(OC)cc1O 59762552 VNLGPDWLUGVAHO-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF biogenic CC1=C(C(N)=O)[C@H](c2ccsc2)N2NC(SCc3ccccc3)=NC2=N1 473135977 MDWYQXLNNVOBKX-HNNXBMFYSA-N 383.502 3.028 0 1 GGAF C=C1C=C(C)N2NC([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)=NC2=N1 587796233 PQOFYUZQGDJXCW-VFZGTOFNSA-N 390.260 3.169 0 1 GGAF CC[C@@H](c1nc2cccc(O)c2[nH]1)n1cc(I)c(C)n1 587184317 IHANRCQBWHFPAR-NSHDSACASA-N 382.205 3.377 0 1 GGAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(O)nccc2[nH]1 587180616 IJSUJKQCBLTFCI-SSDOTTSWSA-N 383.193 3.103 0 1 GGAF CS(=O)(=O)[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587606883 IZNGZJMINLKJLL-DUXSXAKTSA-N 388.441 3.080 0 1 GGAF COc1ccc2c(c1OC)[C@H](c1ccc3nccnc3c1)NCC21CCOCC1 963187607 ISRBJKQZOXTXOF-NRFANRHFSA-N 391.471 3.388 0 1 GGAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1ccccc1NS(C)(=O)=O 963060735 WKDITLDJQRLDKL-OAQYLSRUSA-N 397.500 3.024 0 1 GGAF Cc1ccc(C)c([C@@]2(CCC(=O)O)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963020218 DSJINMSPYBIZQK-HJPURHCSSA-N 378.472 3.465 0 1 GGAF CN1Cc2c(C3=CCN(CC(=O)O)CC3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772630916 DOAYWLKCUCRUGU-UHFFFAOYSA-N 392.434 3.493 0 1 GGAF COC(=O)C1=C(C)N2CCCO[C@]2(C)[C@@H](C(=O)OC)[C@H]1c1cccc(Cl)c1 5757480 AEIJDYWCBYHIFL-SQGPQFPESA-N 393.867 3.112 0 1 GGAF CCc1ccc(CN(C)Cc2nc(Cc3ccc(OC)c(OC)c3)no2)nc1 11665156 WLTNGCRTMLWLHU-UHFFFAOYSA-N 382.464 3.267 0 3 GGAF CCOC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1cccc(C(=N)N)c1 13558696 JEVDJZVOIXYJFV-HXUWFJFHSA-N 389.455 3.028 0 1 GGAF COc1ccc(CNc2ncncc2-c2ccc(C(=O)N(C)C)cc2)c(OC)c1 4265740 BUGPDHRXVIQYQH-UHFFFAOYSA-N 392.459 3.475 0 1 GGAF COc1cc(Nc2ncc3c(n2)N(C)C2(CC2)CO3)ccc1-n1cnc(C)c1 1857580157 HJOVHXDSQZWCLA-UHFFFAOYSA-N 378.436 3.084 0 1 GGAF Cn1ccc(-c2n[nH]c3ccc(NCc4cc(F)ccc4S(C)(=O)=O)cc23)n1 1857608347 YTFMVOGDUWRAJU-UHFFFAOYSA-N 399.451 3.118 0 1 GGAF Cc1ncc(CO)c2cc(-c3nnc(NCc4ccc(F)cc4)s3)c(=O)oc12 2955434 UPCJRRHROPTVPL-UHFFFAOYSA-N 398.419 3.258 0 1 GGAF CCC=CC[C@H](O)C=CC=CC=CC=C[C@@H](O)[C@H](O)CC=CCCC(=O)O 2356342282 OIWTWACQMDFHJG-PWRODBHTSA-N 376.493 3.461 0 1 GGAF COc1ccccc1/C=C1\CNCC2=C1NC(=S)N[C@H]2c1ccccc1OC 101679956 NUTLVBUFAKSDNT-GLHYLFFDSA-N 393.512 3.164 0 1 GGAF C[C@]1([C@H](O)CO)C=C[C@@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@H]2[C@](C)(CO)C[C@H](O)C[C@@]23C)C1 2356578404 QJZOWGAARKUAKT-NUNNDHKASA-N 392.580 3.134 0 1 GGAF CS(=O)(=O)Nc1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 113333644 VYDWBAYBPOUUPX-LJQANCHMSA-N 399.520 3.011 0 1 GGAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]3O[C@@H]([C@@H]21)[C@](C)(O)CCCC[C@]3(C)O 2356850607 PRMSBBJFDDZXRS-HADRDDKBSA-N 382.541 3.450 0 1 GGAF COc1nc2ccc(F)cc2nc1NC(=O)N1CCN(c2cccc(C)c2)CC1 38225194 ZPAJPJGPEMLZNB-UHFFFAOYSA-N 395.438 3.440 0 1 GGAF Cc1nc2sc([C@@H](c3cccc(F)c3)N3C[C@H](C)O[C@@H](C)C3)c(O)n2n1 36383559 IEVXCZBUXQZCHV-ZIBATOQPSA-N 376.457 3.143 0 1 GGAF Cc1ccc(NCC(=O)N2CCCN(Cc3nc4ccccc4[nH]3)CC2)cc1 49089084 WNEKPYDQDASEIX-UHFFFAOYSA-N 377.492 3.018 0 1 GGAF CC(=O)O[C@H](CO)[C@@](C)(O)CC[C@]1(C)C2=CCC[C@](C)(C(=O)O)[C@H]2CC[C@H]1C 238768536 WWBKEPMWUHTSAJ-UHCISDNVSA-N 396.524 3.305 0 1 GGAF CCOC(=O)[C@H](C)Oc1ccc([C@H]2NC(=S)N=C(C)/C2=C(\O)OCC)cc1 621475180 OGRVEOPDZQGRKM-NOMVRPMISA-N 392.477 3.213 0 1 GGAF COc1cc2c3c(c1)O[C@](C)([C@@H]1[C@@H]4C[C@H]1N(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587440646 BPFZTEXVWLDABA-VTCVJBQDSA-N 385.460 3.457 0 1 GGAF CCOC(=O)C[C@]1(c2n[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440658 PTUIOWVPCXWPII-QRQCRPRQSA-N 392.411 3.168 0 1 GGAF Nc1ncccc1Cc1nc2c(Br)cnc(Br)c2[nH]1 587254513 KPWCEAOZPVVYLZ-UHFFFAOYSA-N 383.047 3.051 0 1 GGAF CCCc1c(O)ccc2c1O[C@H](c1cnc3c(C(=O)OCC)cnn3c1)CC2=O 587480758 FIJCQNSGSVYPHK-SFHVURJKSA-N 395.415 3.271 0 1 GGAF CCN(CC)c1ccc2cc(-c3ccc4c(O)nc(O)nc4n3)c(=O)oc2c1 587370908 YQQBUEJSMGRWIJ-UHFFFAOYSA-N 378.388 3.056 0 1 GGAF O=S(=O)(c1cccc(-c2cc3c4c(cccc4n2)CC3)c1)N1CCOCC1 587216645 IMUZNAPLVWHJFQ-UHFFFAOYSA-N 380.469 3.021 0 1 GGAF CCOC(=O)C1=CN(C2CC2)C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587518385 HDXHHNBKRDUDKW-HSZRJFAPSA-N 395.455 3.111 0 1 GGAF C[C@@]1(Cn2c(=O)oc(=O)c3ccccc32)CC(=O)c2ccc3c(c2O1)CCCC3 587518498 JMMCXRHXAIBBGO-QHCPKHFHSA-N 391.423 3.258 0 1 GGAF COc1ccc(OC)c([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1 962668810 OURHQHRLJAZKMR-REWPJTCUSA-N 392.455 3.440 0 1 GGAF CCOc1cccc2cc([C@]3(C)NCCc4nc5ccccn5c43)c(=O)oc12 962984660 FLADSOXAVUIADP-QFIPXVFZSA-N 375.428 3.249 0 1 GGAF CCOc1cccc2cc([C@@]3(C)NCCc4nc5ccccn5c43)c(=O)oc12 962984658 FLADSOXAVUIADP-JOCHJYFZSA-N 375.428 3.249 0 1 GGAF CCOCc1n(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)cc[n+]1C 13651156 UIFFEJMYSUMSAG-NRFANRHFSA-N 391.491 3.151 0 1 GGAF CCCNC(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 15075901 NKSZRWLZVNOZDG-UHFFFAOYSA-N 399.495 3.047 0 3 GGAF Cc1ccc(CN2CCN(CC(=O)N[C@H](C)CCc3ccccc3)C2=O)cc1 4668147 YKWPQAFIYPOHOY-LJQANCHMSA-N 379.504 3.370 0 3 GGAF COc1ccc2c(OCc3nnc4ncc(-c5ccccc5)nn34)ccnc2c1 200644855 DYQKJQPOOQEANS-UHFFFAOYSA-N 384.399 3.322 0 1 GGAF C[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2O)C1=O 1857620605 RHMYPZYXJBYMPC-SFHVURJKSA-N 380.488 3.221 0 1 GGAF COc1ccccc1CCCC(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1 1857753738 MXPDKRLVARQBJR-UHFFFAOYSA-N 384.432 3.158 0 1 GGAF COC(=O)c1ccc2nc(CO[C@@H]3CN(Cc4ccccc4C)C[C@@H]3F)[nH]c2c1 2356299294 FABFUYUARHPDBZ-FXAWDEMLSA-N 397.450 3.397 0 1 GGAF COC(=O)CC[C@@H]1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O 103283042 MZMBGTKDNDGXBQ-SNVBAGLBSA-N 376.206 3.254 0 1 GGAF COC(=O)[C@](NC(=O)CC(C)C)(Nc1nc2c(s1)CCCC2)C(F)(F)F 8590609 ZSZUKAFVJIPBNX-HNNXBMFYSA-N 393.431 3.028 0 1 GGAF CCCCC[C@@](C)(O)/C=C/[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CC=C=CCCC(=O)OC 22001641 GNIYHUSSKSFYBD-AHYAFMAJSA-N 380.525 3.286 0 1 GGAF in-man CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCCC(F)(F)F)O3)c1 61907145 JRRIUGMMHAVYQD-INIZCTEOSA-N 378.350 3.323 0 3 GGAF CC(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)n(O)c1=O 66066048 RZDOVUKLYABCAV-UHFFFAOYSA-N 380.444 3.136 0 1 GGAF O=C(Nc1cccc(-c2cnc[nH]2)c1)c1ccc2cc3n(c2c1)CCCNC3=O 73221281 LZAHKCVOJMJNFW-UHFFFAOYSA-N 385.427 3.417 0 1 GGAF CCOC(=O)[C@@H]1CC(C(=O)c2cc(Cl)ccc2N)=NN1Cc1ccccc1 42889508 CDIVBNAPQCWONJ-SFHVURJKSA-N 385.851 3.299 0 1 GGAF COCCCN(Cc1ccccc1-c1ccc(CN2CCNCC2)cc1)C(C)=O 40918257 XVCHPVCHWGZUEI-UHFFFAOYSA-N 395.547 3.144 0 1 GGAF C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1cccc2cccnc12 40950216 OQRZZLYZUMRNNK-LLVKDONJSA-N 387.848 3.424 0 1 GGAF C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)C[C@]3(O)OCC(C)=C3C[C@H]2[C@@]1(C)OC(C)=O 238755286 JHTLQVLEKIVDRK-XGYFUJNFSA-N 392.492 3.432 0 1 GGAF NC1=N[C@]2(CO1)c1cc(-c3ccccc3F)ccc1OC1(CCC1)C21COC1 149411585 PQPCAOQHCPZEDG-JOCHJYFZSA-N 380.419 3.365 0 1 GGAF O=C(O)CCn1cc(-c2cnc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 144892224 YRQUIKDOWWKJJP-GOSISDBHSA-N 389.333 3.198 0 1 GGAF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 253619059 SDSTWQKFZBIDEK-NQFMHKJYSA-N 390.520 3.462 0 1 GGAF O=C(Nc1ccc(N2CC[C@H](C(=O)O)CC2=O)cc1)c1cc2ccccc2[nH]1 653837580 AKTUQVQCQAUQPO-AWEZNQCLSA-N 377.400 3.248 0 1 GGAF C[C@@H](Cc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1)n1cccn1 587923726 IGLCQWFQFPQDFP-ZDUSSCGKSA-N 376.507 3.206 0 1 GGAF COC(=O)C[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587773260 PXYQWEASUVLZKY-VOJFVSQTSA-N 393.256 3.324 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(C(N)=O)c2)N1 587749991 QYAQLJHUPHPTBG-NIVTXAMTSA-N 393.256 3.190 0 1 GGAF O=C(O)[C@H]1[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@H]1C(=O)O 587971246 XGGOPEUTKRJYHD-QKDCVEJESA-N 379.397 3.338 0 1 GGAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 586925835 KIHBAAHIPAPUPX-UHFFFAOYSA-N 397.378 3.196 0 1 GGAF O=C(N[C@@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)C(=O)O)OCc1ccccc1 587201668 ASBCEDMRWIFDMB-AWEZNQCLSA-N 391.786 3.278 0 1 GGAF CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399382 JOXQLBBDRVBUOR-SIKLNZKXSA-N 397.427 3.090 0 1 GGAF CC1=C(c2ccc3nc(/C=C/C(=O)Nc4ccc(F)cc4)[nH]c3c2)NNC(=O)C1 587167388 SERWSHSDFRPLMQ-CMDGGOBGSA-N 391.406 3.109 0 1 GGAF Nc1ccc(C2=COc3cc(O)ccc3[C@@]23NCCc2nc4ccccn4c23)cc1 962987443 WKXMOZPOPPXUJP-XMMPIXPASA-N 396.450 3.445 0 1 GGAF CCOP(=O)(C[C@@]1(CC)NCCc2ccc(C(=O)N(C)C)cc21)OCC 962925365 MEKFRNIWDUUXLE-LJQANCHMSA-N 382.441 3.406 0 1 GGAF CC(=O)O[C@@H]1C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@](C)(CCC2=CCOC2=O)[C@@H]1C 14446318 BZHFASODQUVSNS-KALBJQTESA-N 388.460 3.107 0 1 GGAF C[C@]1(C(=O)NCCC(F)(F)F)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 1857584483 XSNHNQIBYYRLSX-GOSISDBHSA-N 394.349 3.240 0 1 GGAF CCC(CC)CN=c1c(C(N)=O)c[nH]c2ccc(-c3ccc(CO)nc3)cc12 1857617946 UBSRTPHETWULEN-UHFFFAOYSA-N 378.476 3.158 0 1 GGAF O=C1N[C@H](C(=O)O)Cc2cccc(c2)OCC=CCOc2ccc(Cl)c1c2 1857742711 PRQVABJPYZFCOM-SFHVURJKSA-N 387.819 3.093 0 1 GGAF COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2C)C[S@](=O)C3)cc1 2724941 LONXMPWNXOAKRL-NDEPHWFRSA-N 395.484 3.133 0 3 GGAF CC(C)(C)n1nc2c(c1NC(=O)COc1ccc(Cl)cc1)C[S@@](=O)C2 2724942 NLOSZGIREUKBHE-VWLOTQADSA-N 381.885 3.071 0 1 GGAF O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F 4055235 ULRAOCBHQOOPAD-WBVHZDCISA-N 397.233 3.333 0 1 GGAF O=C(NC1CCCCC1)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55228592 PSGYLQPLAMSYHR-UHFFFAOYSA-N 386.471 3.198 0 1 GGAF COCOc1cccc(CN2CC[C@]2(C)C(=O)Nc2ccc3c(c2)OCO3)c1 61908783 ZIRGCEYSSCSSLE-OAQYLSRUSA-N 384.432 3.001 0 3 GGAF CC(=O)Nc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)cc1 2356302145 MQPUHZKHKHRRCD-RXVVDRJESA-N 396.466 3.271 0 1 GGAF CC(C)=CCOc1ccc(C[C@H]2NC(=O)[C@@H](Cc3ccccc3)N(C)C2=O)cc1 2356488286 HPWYMFOCBYZVLU-FGZHOGPDSA-N 392.499 3.142 0 1 GGAF CC(C)N1CCn2c(nc3cc(C(=O)NCc4cc(F)ccc4F)ccc32)C1=O 65172513 XSAJIQWLACSCHL-UHFFFAOYSA-N 398.413 3.109 0 1 GGAF O=S(=O)(c1cccc(C(F)(F)F)c1)c1cn([C@@H]2CCNC2)c2ncccc12 28862199 ZCQPOBYGONRNAP-CYBMUJFWSA-N 395.406 3.422 0 1 GGAF CC(C)CCO[C@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272687 QRPDFYUCGZWKPH-KRWDZBQOSA-N 380.876 3.481 0 1 GGAF C=CC(=O)Nc1cccc(C2=C(c3cn(C)c4ccc(F)cc34)C(=O)NC2=O)c1 1911586553 FQBYEIKVYPMREP-UHFFFAOYSA-N 389.386 3.009 0 1 GGAF CCCCOCCOC(=O)CN(C)C(=O)c1csc(Nc2ccccc2)n1 82085859 OBGPIXUKNPQFLE-UHFFFAOYSA-N 391.493 3.319 0 1 GGAF NC(=O)c1ccc(-c2cn(-c3ccc4c(c3)OCCO4)c(-c3ccccn3)n2)cc1 43080484 FKGUZVLJNLTMBK-UHFFFAOYSA-N 398.422 3.471 0 1 GGAF CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1coc(-c2ccccc2C)n1 82070503 YXQXKLYSVXCVRC-MRXNPFEDSA-N 387.480 3.091 0 1 GGAF COc1ccc(-n2cc3nc(C)nc(NC(=O)NCc4ccccc4)c3n2)cc1 95583002 NADMEPSVAJJVBO-UHFFFAOYSA-N 388.431 3.454 0 1 GGAF COc1nc(-c2cc3ccc(F)cc3[nH]2)[nH]c(=NCCc2ccc(F)cc2)n1 473162798 NGSGGUGQARCJDE-UHFFFAOYSA-N 381.386 3.383 0 1 GGAF CCCCOc1c(NCC[C@H](C)Nc2cc(OC)cc3cccnc23)c(=O)c1=O 653692022 JHJHAOCFNHZEGM-AWEZNQCLSA-N 397.475 3.321 0 1 GGAF Cc1ccc2c3c(c(CC(=O)O)c(CCC(=O)O)nc13)-c1ccccc1C2=O 587100305 GDPVNYQXZYOMPV-UHFFFAOYSA-N 375.380 3.399 0 1 GGAF CCOC(=O)CCC[C@@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436931 VLMWVXVKGIDXAD-OPAMFIHVSA-N 381.428 3.467 0 1 GGAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](N)C(C)(C)C)[nH]c2c1 587259617 XWGABHVGMGAMEG-QGZVFWFLSA-N 388.493 3.418 0 1 GGAF CN(C)c1ccc2c(c1)N(C)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587518689 NGMBFDCBLNAYPW-QHCPKHFHSA-N 376.456 3.469 0 1 GGAF COCCc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587772236 DZYJOHKLGYMSJC-QGHHPUGFSA-N 380.261 3.191 0 1 GGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C(=O)OC)ccc3[nH]2)cc1 586939026 MPHALHBARVISNQ-GFCCVEGCSA-N 387.461 3.093 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(C)c1OCC(F)(F)F)[C@@H](C2)C3=O 587421650 QKOMQJAQXQOBPO-MEDUHNTESA-N 382.338 3.167 0 1 GGAF CC1([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)COCOC1 963177408 JQTBOFCRCMSJIL-MEDUHNTESA-N 393.789 3.184 0 1 GGAF CCOC(=O)c1cnn(-c2ccc([C@@H]3NCCc4ccc(F)c(C)c43)cn2)c1 962148181 RJODEASLBCNJLJ-FQEVSTJZSA-N 380.423 3.127 0 1 GGAF COc1cccc([C@]2(c3ccc(F)c(F)c3)NCCc3nc4ccccn4c32)n1 962998249 UAYDLPKRUDNOMW-QFIPXVFZSA-N 392.409 3.454 0 1 GGAF CCN1c2ncccc2C(=O)Nc2c(COCc3ccccc3)cc(=O)[nH]c21 12354059 WRJFIKUTCXERPD-UHFFFAOYSA-N 376.416 3.210 0 1 GGAF CN1C[C@H](c2cn(C)cn2)[C@@H]([C@@H](OC(=O)c2ccccc2)c2ccccc2)C1=O 14953263 VEEGOOQCXICNQB-GIVPXCGWSA-N 389.455 3.190 0 1 GGAF biogenic CN1CCN(c2nccn3c(-c4cccc(NCc5ccccc5)n4)cnc23)CC1 169701240 WMBRSJLGZPMBFK-UHFFFAOYSA-N 399.502 3.155 0 1 GGAF COc1ccc(N2N=C(C)[C@@H](C(=O)Nc3cccc(C(C)(F)F)c3)C2=O)cn1 1857539062 QWGHASDPDLQLAP-INIZCTEOSA-N 388.374 3.179 0 1 GGAF Cc1cccc(COc2ccc(NC(=O)c3ccncc3)cc2-n2cnnn2)c1 1857556736 OXYGDTQBSJNXNR-UHFFFAOYSA-N 386.415 3.197 0 1 GGAF Cn1c(CN2C[C@@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)nc2ccccc21 2356312092 YEKJVLYUYHTRNY-YJBOKZPZSA-N 393.422 3.070 0 1 GGAF O=C(NC[C@@H]1O[C@@H](Cc2cc(-c3ccccc3)on2)CC[C@H]1O)c1ccccc1 2356486628 YNSJHBJTCSDWNJ-SJBKTWHCSA-N 392.455 3.223 0 1 GGAF CC[C@@H](C(=O)NC[C@@H]1CCCO1)n1nc(C)c2sc3ccccc3c2c1=O 6799303 JFFQPYAEEVGZGD-ZFWWWQNUSA-N 385.489 3.166 0 3 GGAF CCCC[C@@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)CO 27765580 KDTHGDDWZLKYMK-NBSNGRDHSA-N 380.525 3.118 0 1 GGAF CCCCC[C@@H](O)/C(F)=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 26022422 FPWBUVYXSURCBY-YYZXONCZSA-N 386.504 3.429 0 1 GGAF O=C1N[C@@H](C(=O)O)Cc2ccccc2OCCCCOc2ccc(Cl)c1c2 103258312 PDACXFQBPUKEST-QGZVFWFLSA-N 389.835 3.317 0 1 GGAF CC1(COc2ccc(S(=O)(=O)[C@H]3SC(=O)NC3=O)cc2)CCCCC1 29214377 ZNSPMWGVRCKWFV-OAHLLOKOSA-N 383.491 3.119 0 1 GGAF CCN(CC)C(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1 28526113 YTNBKHZLNOMKDO-UHFFFAOYSA-N 376.420 3.116 0 1 GGAF COc1ccc2c(c1)CC(=O)NN1C(c3ccccc3)=NO[C@@]21c1ccccc1 29489983 UXZKAOHOTMBSHC-QHCPKHFHSA-N 385.423 3.178 0 1 GGAF COc1cc(OC)c(/C=C/[S@](=O)Cc2ccc(OC)c(N)c2)c(OC)c1 71334386 PTLMUODWSDJPNR-DIJOXEGBSA-N 377.462 3.223 0 1 GGAF C[C@H](C(=O)NCc1ccc(C2CC2)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 73220474 AKXKHUJXVDJZEQ-ZDUSSCGKSA-N 390.480 3.495 0 1 GGAF CCCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 82196189 VHWUVVIEXSHDNK-UHFFFAOYSA-N 382.464 3.377 0 1 GGAF CN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2ccc3c(c2C1)C(=O)NC3 45338603 XTSOIKPIGSXYHG-KRWDZBQOSA-N 393.462 3.419 0 1 GGAF Clc1ccc2ncnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 40954798 GXBSCRQTCWBYRA-UHFFFAOYSA-N 382.851 3.334 0 1 GGAF O=C(N[C@@H]1CCC[C@@H]1C(=O)O)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 95597060 OPOPYFWSNGVSOW-UONOGXRCSA-N 391.855 3.067 0 1 GGAF COc1ccccc1N1CC2(C1)CN(c1ncnc3c1cnn3-c1ccccc1)C2 653719021 CSGQFQMCESGGNS-UHFFFAOYSA-N 398.470 3.151 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2CCS(=O)(=O)CC2)N1 587845738 RZLHNHSRUGBWFA-QLJPJBMISA-N 390.318 3.162 0 1 GGAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(N)c(N)cc2[nH]1 587112133 HKJWJPDQFDRQSX-KRWDZBQOSA-N 377.370 3.146 0 1 GGAF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ncc[nH]c-2n1 587140376 DZRMZXFUYOREJQ-CYBMUJFWSA-N 397.863 3.163 0 1 GGAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN[C@H](C(=O)O)[C@@H]1C4)-c1ccccc1C2=O 587096138 HAKCCISURCIQMT-JJJFATQHSA-N 384.435 3.142 0 1 GGAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2c(I)cnc(Cl)c2[nH]1 587963025 LGHSBXIWFCPMGR-BQBZGAKWSA-N 389.624 3.374 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cc(OC)ncc1Br)[C@@H](C2)C3=O 587420109 WKTZIFUJIKRLNU-APPDUMDISA-N 376.206 3.350 0 1 GGAF CCOc1cc(C(C)=O)c(OCC)n1-c1cc(C(=O)O)ncc1Br 587939770 LNOLQKNECVRODY-UHFFFAOYSA-N 397.225 3.333 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1cnc(N4CCCCC4)nc1C)[C@@H](C2)C3=O 587440607 BMKMOZAXYOYNNO-AOMKIAJQSA-N 379.460 3.447 0 1 GGAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cn1 587245826 ZDFVECXBXHINCU-UHFFFAOYSA-N 393.491 3.442 0 1 GGAF Cc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cc1Cl 586932267 YSZHPJRZSZNTHJ-UHFFFAOYSA-N 379.869 3.354 0 1 GGAF FC(F)(F)c1nc2ccncc2cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587115864 CMXMYALUFSKFDK-UHFFFAOYSA-N 382.309 3.168 0 1 GGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C(=O)O)=NN(C)c2ccccc21 587489301 TZACZLIJOLGXLD-NRFANRHFSA-N 380.400 3.096 0 1 GGAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(S(=O)(=O)O)cc1 587661205 LNVNRCBLZBHBSU-UHFFFAOYSA-N 396.399 3.439 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc3c(c1)CCC(=O)N3)O2 587401224 QTVRFSIQHKNZIV-QFIPXVFZSA-N 394.427 3.187 0 1 GGAF O=C1c2ccc(O)cc2O[C@@](Cn2cncn2)(C2CC2)[C@@H]1c1ccc(F)cc1 587342956 QWFMWDYBRCTIHZ-CTNGQTDRSA-N 379.391 3.331 0 1 GGAF CSc1ncc([C@@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)[nH]1 962645934 SGBZVYKIFAKGRL-WOJBJXKFSA-N 382.489 3.042 0 1 GGAF CCCC(=O)N1CCC(C(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1 1772606617 UKGFSZNPFOERLC-UHFFFAOYSA-N 386.414 3.369 0 1 GGAF CCN1C(=O)[C@@H](C(=O)Nc2ccc(OC)cc2)[C@@H]2C[C@@]1(C)Oc1ccccc12 13147522 BQEZBUXYCIGWAY-SFGWALBWSA-N 380.444 3.395 0 1 GGAF CC[C@@H](C)C(=O)N1CC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 166839684 GRKBRUQQJDPCCN-OAHLLOKOSA-N 394.475 3.265 0 1 GGAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(-c3nnc(C)o3)c12 209363202 LRHRZAOJPDXFKN-SNVBAGLBSA-N 393.407 3.208 0 1 GGAF COC(=O)[C@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)OC 26248091 KMNLLFDNNVDQOA-IBGZPJMESA-N 384.432 3.074 0 1 GGAF COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(C)cc4)CC3)OC2=O)cc1 29413695 ZXYPLEFCKYWPPE-NRFANRHFSA-N 396.487 3.312 0 1 GGAF O=C(OCCc1ccccn1)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085537 DMRYTTXZCFJRBH-INIZCTEOSA-N 397.456 3.189 0 1 GGAF O=C1CCCN1CCCn1c(-c2ccccc2)nc2c(NCC3CC3)ncnc21 82180097 BAKFQZAIXXTMOH-UHFFFAOYSA-N 390.491 3.328 0 1 GGAF CN1CCC(Nc2ccc3ncc(-c4cccc(NC(=O)C5CC5)c4)n3n2)CC1 96907643 IXQHPSGHQLDGHU-UHFFFAOYSA-N 390.491 3.251 0 1 GGAF CCOCCN(C(=O)Nc1nccs1)c1ccc(OC(C)(C)C(=O)O)cc1 103243922 ACRWYPXPOAJWPT-UHFFFAOYSA-N 393.465 3.460 0 1 GGAF CCS(=O)(=O)c1ccc(NCC2CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 146407186 ZQRYCQNBELIIBM-UHFFFAOYSA-N 385.489 3.149 0 1 GGAF COc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1 147815315 VAZMBEVRNVUFAD-UHFFFAOYSA-N 386.411 3.378 0 1 GGAF Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)NCc2ccccc2)cc1 169303704 BGQYERLECBQCIN-UHFFFAOYSA-N 381.457 3.121 0 1 GGAF COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@]4(Nc5ccccc5)[C@@H](C2)N(C)CC[C@@]314 169372993 QMZAHWGFWQZOLK-OTUUDDROSA-N 390.483 3.168 0 1 GGAF C[C@H](Nc1ccc(-c2ccnn2C)nc1)C(=O)Nc1ccc(-c2cccnc2)cn1 221185167 YBVCMIZESQAPMG-HNNXBMFYSA-N 399.458 3.378 0 1 GGAF COc1cc2c(cc1[C@@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]13)OCO2 238734949 CXRGUJLWMNJJDZ-HLNGLMCHSA-N 384.384 3.228 0 1 GGAF CCn1c(NC2CCCC2)nc2c(CCCN3CCOCC3)csc2c1=O 299836129 MPBPSOQOXUQMKQ-UHFFFAOYSA-N 390.553 3.097 0 1 GGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN1CCN(C)CC1 587858789 BFAKMMHWTOEHHH-UHFFFAOYSA-N 397.306 3.143 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CN2CCC[C@@H]2CO1 587864089 XBHBZRDBMUJZMQ-MLGOLLRUSA-N 395.381 3.081 0 1 GGAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(S(C)(=O)=O)cc4[nH]1)(C3)C2 587951718 YRIJCQVEUQNMKR-LWYUSKRHSA-N 388.489 3.120 0 1 GGAF CN1CCC(SC(=S)NCCCCNC(=O)Oc2ccccc2)CC1 1857583400 OEWMIQZSAMGQTP-UHFFFAOYSA-N 381.567 3.257 0 1 GGAF O=C(CCCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cc(F)cc(F)c1 203474909 CQHSQTGCTWFZLF-BIPCEHGGSA-N 388.414 3.271 0 3 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NC[C@H](O)CC 770378 OFOIALDYHPDZDC-BSIFCXSSSA-N 382.460 3.064 0 1 GGAF COCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 2373621 BTQHUBANESWOGV-VQTJNVASSA-N 379.456 3.408 0 1 GGAF COC(=O)[C@@H](Cc1ccccc1)N1O[C@]12CCCC[C@@H]2NC(=O)OC(C)(C)C 6002278 FHGQYJRGXRTTCZ-QNADOQGOSA-N 390.480 3.182 0 1 GGAF CC(C)C[C@@H](CN)CC(=O)O[C@@H](C)CCOC(=O)CC1(CN)CCCCC1 26504940 ZGALBOGENJIMGG-ZWKOTPCHSA-N 384.561 3.162 0 1 GGAF CSc1ccc(NC(=O)Nc2ccc(Cn3cnc(O)c3C(N)=O)cc2)cc1 118151554 KIWYITURIQBKTL-UHFFFAOYSA-N 397.460 3.102 0 1 GGAF O=C1COc2ccc([C@@]3(O)c4ccccc4C(=O)N3c3ccccc3F)cc2N1 116261041 ZWMKDNCUCVQBHY-JOCHJYFZSA-N 390.370 3.010 0 1 GGAF C[C@]1(C(=O)O)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]13C[C@@H](Nc4ccccc41)C(=O)C[C@@H]32 2356584827 UESFHRIHCVPQCD-LTYGDTASSA-N 383.488 3.360 0 1 GGAF Cn1c(O)c(C2=C[C@H](C=Cc3ccccc3)NC(=S)N2)c(=O)c2ccccc21 2356816144 CYFONDVSOVEKHL-HNNXBMFYSA-N 389.480 3.145 0 1 GGAF COc1cc([C@@H]2c3cc4c(cc3C=C3COC(=O)[C@H]32)OCO4)cc(OC)c1OC 13371276 HMOQGLNIZXPXJE-WOJBJXKFSA-N 396.395 3.143 0 1 GGAF biogenic COc1ccc(N2c3ccc(Cl)cc3S(=O)(=O)c3c(N)n[nH]c32)cc1 40939615 PVBTVTJYLFAZIN-UHFFFAOYSA-N 376.825 3.270 0 1 GGAF COc1ccc([C@@H]2C3=C(COC3=O)Nc3ccc4[nH]c(=S)[nH]c4c32)cc1O 71317644 BGRCYIDKLIACSX-AWEZNQCLSA-N 381.413 3.308 0 1 GGAF CCN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(=O)c(OC)cc21 40764004 IDHSHVKZKDMWGM-INIZCTEOSA-N 385.460 3.345 0 1 GGAF COCC(=O)NC1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 146813689 DMVPZMMEBRRFJX-UHFFFAOYSA-N 388.899 3.145 0 1 GGAF COc1cc(O)ccc1C(=O)C[C@@H]1c2ccc(O)c(OC)c2C[C@H]1C(C)(C)O 238787307 JFKSSNYNQWSGSN-NVXWUHKLSA-N 386.444 3.415 0 1 GGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@@H]2CN(C(=O)C2CC2)C(C)C)cc1 95667222 SBSDHNVYUZGYBZ-LTIOOTENSA-N 398.547 3.432 0 1 GGAF COc1nc(-c2cncc3ccccc23)nc(=NCCc2ccc(F)cc2)[nH]1 473179629 ZJIZWLLLFOVVLC-UHFFFAOYSA-N 375.407 3.311 0 1 GGAF CCCCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)SC[C@@H](N)C(=O)O 299853805 QFKIYSGYJHNORJ-IAGOWNOFSA-N 397.537 3.387 0 1 GGAF Cc1nc2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2cc1Br 587129399 XVYPHMVDTHFLRY-UHFFFAOYSA-N 380.156 3.071 0 1 GGAF CC(=O)NC1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CCC(C)CC1 587234606 RLBZIRMJHWXYBJ-UHFFFAOYSA-N 394.479 3.164 0 1 GGAF O=S(=O)(c1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1)N1CCC1 586954946 JLJMWODEGXTXCX-UHFFFAOYSA-N 391.836 3.006 0 1 GGAF C[C@@]1(/C=C/N2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342711 GTDCSHHQDPETDE-XGTLJDLRSA-N 383.419 3.495 0 1 GGAF CNS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533823 WHVATPAYQRAKKD-OAQYLSRUSA-N 385.485 3.354 0 1 GGAF O=[S@](Cc1nc2c(O)nc(S)nc2[nH]1)C(c1ccccc1)c1ccccc1 586960948 REDLHJXHVMQKGT-HHHXNRCGSA-N 396.497 3.386 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(NCC2)C(=O)Nc2ccc(-c3ccccc3)cc21 962928481 YOYLHCBEFMIJMV-VWLOTQADSA-N 397.478 3.397 0 1 GGAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](CCCC2OCCO2)N1 962699315 IOEHIXIJMSWILP-ZIAGYGMSSA-N 377.334 3.028 0 1 GGAF CCOc1n[nH]c2c(F)c(NC(=O)N[C@H](COC)c3ccc(F)cc3)ncc12 1772627578 BFAAQJQJKQRSBW-CYBMUJFWSA-N 391.378 3.144 0 1 GGAF COc1cc2nc(N(C)C3CCC3)nc(NC3CCN(C)CC3)c2cc1OC 1772579341 NDEREOOBAVLGBN-UHFFFAOYSA-N 385.512 3.142 0 1 GGAF Cc1cc(C)c(C(=O)N2CCCn3nc(C(=O)Nc4ccccc4)cc3C2)o1 1772627760 HUZFNAZUGWIARW-UHFFFAOYSA-N 378.432 3.391 0 1 GGAF COc1ccc2c(c1)c1nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)nc1n2C 13116486 TWPCNTBDKYFQRE-BETUJISGSA-N 399.520 3.407 0 3 GGAF aggregator Cc1c(C)c2c(c(C)c1O)[C@@H](CN1CCN(c3ncccn3)CC1)C(C)(C)O2 13651878 DHRNREPVBFASHU-QGZVFWFLSA-N 382.508 3.184 0 1 GGAF CC(C)Nc1ncc2c(n1)CN(C(=O)NCc1ccc(F)c(Cl)c1)CC2 169326151 HIKUZKHUGJNFDZ-UHFFFAOYSA-N 377.851 3.357 0 1 GGAF COc1cccc2nc(C[C@@H]3CN(Cc4ccccn4)CC[C@@H]3CC(=O)O)[nH]c12 2356302650 KQVCQWMUIAIDOK-HZPDHXFCSA-N 394.475 3.122 0 1 GGAF CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(c2ccccc2)CN1C 103209450 CPWJALVXAJINRA-UHFFFAOYSA-N 387.871 3.412 0 1 GGAF O=C(NCc1cccnc1)c1cc([C@@H]2CCCN(C(=O)c3cccs3)C2)on1 61904385 QZCXHBOFQNRFSP-OAHLLOKOSA-N 396.472 3.081 0 3 GGAF COc1ccc(/C=C(\CO)c2cc(/C=C/CO)cc(OC)c2OC)cc1OC 103265890 YXJBUBNTOBPWBL-SIYSGNLUSA-N 386.444 3.259 0 1 GGAF CCN(Cc1cccc(-c2nc3c(c(=O)[nH]2)CCCC3)c1)Cc1nccn1C 23506225 SUPRWOGJIQSDGT-UHFFFAOYSA-N 377.492 3.071 0 1 GGAF Cn1nccc1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl 116444835 HZGWIIRICBLSOI-ZDUSSCGKSA-N 392.887 3.241 0 1 GGAF CC1=C[C@@H]2C3=C(C)CCC[C@H](O)C3=CC(=O)O[C@]23C(=O)N[C@H](CC(C)C)[C@@H]3[C@H]1C 2356512817 FYDJLDITTIQVBM-PPCUTDEVSA-N 399.531 3.443 0 1 GGAF COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Cc1c[nH]c2ccccc12 2356764537 OQTQCTAIEKWQPB-AVRDEDQJSA-N 383.536 3.450 0 1 GGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccs1 72141759 ZEIISZBJUUYKKV-QGZVFWFLSA-N 377.487 3.292 0 3 GGAF Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(-c4cccnc4)cc3c12 36242936 ANFPYGBSFPVDQM-UHFFFAOYSA-N 382.427 3.166 0 1 GGAF COCCN1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 1911582892 HGQQAJVSLKGUMR-GOSISDBHSA-N 375.266 3.439 0 1 GGAF Cc1nc2cnc(Nc3ccnc(SCC(C)(C)C(N)=O)n3)cc2n1C(C)C 222728614 UCZUTCUHEHGTJN-UHFFFAOYSA-N 399.524 3.458 0 1 GGAF CCOC(=O)c1c(-c2ccccc2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 40379420 BRHZSLZKEOOOLJ-UHFFFAOYSA-N 379.199 3.257 0 1 GGAF O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccccc2F)cs1 82193438 QXGYUKGFHRBQRV-DYVFJYSZSA-N 375.469 3.213 0 1 GGAF COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC[C@H]3CCCO3)n2)cc1 82193486 DWGIIEDPYLSSIP-AEFFLSMTSA-N 387.505 3.083 0 1 GGAF O=S(=O)(c1ccccc1)c1cc(-c2cn[nH]c2)c2oc3c(c2c1)CNCC3 143596315 AYPNFVDXMJISBO-UHFFFAOYSA-N 379.441 3.301 0 1 GGAF Cc1cc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc2c[nH]nc12 473145728 BLXPQTMNYUXYSP-UHFFFAOYSA-N 384.480 3.344 0 1 GGAF Cc1nn(-c2ccccc2)c2nc(CNc3ccc(C(=O)O)cc3)nc(O)c12 653821715 XQKYJDYADZREHN-UHFFFAOYSA-N 375.388 3.140 0 1 GGAF CCOC(=O)c1cn(CC)c2cc(-n3cc(-c4ccccc4)nn3)ccc2c1=O 653793276 QDUVUJZXGRBMQH-UHFFFAOYSA-N 388.427 3.446 0 1 GGAF CC(=O)Nc1ccc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587390670 PPTQVPLLZFGQDI-OAQYLSRUSA-N 382.416 3.261 0 1 GGAF COC(=O)c1ccc(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587392074 WKEQEWDUACLYOT-OAQYLSRUSA-N 382.416 3.117 0 1 GGAF CNC(=O)Oc1cccc2c1OC(C)(C)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431421 GEBRRHKMHFPTIY-JLCFBVMHSA-N 395.411 3.227 0 1 GGAF COc1nc(=N)[nH]c(N2CCCC2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514297 NDOXKIAMNZUEOI-KRWDZBQOSA-N 394.475 3.083 0 1 GGAF CC(C)(C)OC(=O)N(Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)C[C@H]1CCCO1 587196575 ACESMIFQLXIDBW-GFCCVEGCSA-N 393.415 3.316 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Br)ccc(F)c21 587387283 QAIXNKASYGOFLY-KRWDZBQOSA-N 391.196 3.292 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2c(O)cccc2C(=O)c2cccc(O)c21 587403067 DPNVIMCXKKKVNE-UHFFFAOYSA-N 387.391 3.442 0 1 GGAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)n1 587079917 OXRTXPCAZKHBHJ-SNVBAGLBSA-N 381.889 3.301 0 1 GGAF COc1ccc([C@]2(C)NCCc3c(OC)ccc(Cl)c32)c(OCC(=O)O)c1 963257127 HQZGHIJRICOAEC-FQEVSTJZSA-N 391.851 3.230 0 1 GGAF CN1C(=O)[C@@H]2[C@H](C1=O)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 2047320 DKILHSLDAKXHHE-ASQNABRVSA-N 383.873 3.063 0 1 GGAF in-vitro COC(C)(C)CCc1[nH]c2ccccc2c1CC(=O)NCCc1cncn1C 13219768 IVBJGZCJIPBHBU-UHFFFAOYSA-N 382.508 3.160 0 1 GGAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2N=C(SCCCC(=O)OC)C[C@@H]21 169292885 TUOQTRVLPKMMDB-NWAZQCMHSA-N 383.554 3.338 0 1 GGAF in-man CO[C@@H]1O[C@@H]([C@@H]2c3cc4c(cc3CCN2C)OCO4)c2ccc3c(c21)OCO3 1857577518 UYKOVOXFSYCDFP-QKNQBKEWSA-N 383.400 3.090 0 1 GGAF COc1cc(C(=O)c2cnn(-c3cc(C)cc(C)c3)c2N)cc(OC)c1OC 1857653638 VLICKJWTCLTCHA-UHFFFAOYSA-N 381.432 3.328 0 1 GGAF COc1ccc2c(OCc3nnc4sc(-c5ccncc5)nn34)ccnc2c1 1857768402 ZGBGRDYSKCEMRX-UHFFFAOYSA-N 390.428 3.384 0 1 GGAF O=S(=O)(Nc1nnc2c3ccccc3cnn12)c1ccc(Cl)cc1S 1650663 AAVLSVZUEVDXAO-UHFFFAOYSA-N 391.865 3.020 0 1 GGAF F[C@@H]1CN(Cc2ccc3ccccc3n2)C[C@H]1OCc1nc2cnccc2[nH]1 2356300429 WMMUAJITRDXVIO-OXQOHEQNSA-N 377.423 3.245 0 1 GGAF CCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(F)cc1 6721047 FVHQDQQCMCDZAR-DLBZAZTESA-N 397.479 3.370 0 1 GGAF O=C(C1CCOCC1)N1CCCN(c2nc3cc(Cl)ccc3s2)CC1 59283595 DFUDAFOVJNRXNE-UHFFFAOYSA-N 379.913 3.415 0 1 GGAF Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)C[C@@H](C)C3=O)cc2)cc1C 101029705 FGRZALALLQOFRH-OAHLLOKOSA-N 379.412 3.243 0 1 GGAF Cc1c(Cl)cccc1NC(=O)COC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 102329240 PYQXFNXTTREXNP-NILVNCKXSA-N 377.868 3.461 0 1 GGAF COc1ccc(S(=O)(=O)Oc2ccccc2NC(=O)Cc2ccncc2)cc1 29408739 OKYOMAXQCXFRLT-UHFFFAOYSA-N 398.440 3.039 0 1 GGAF COc1cc(C(=O)c2cc(N)ccc2-c2csc(N)n2)cc(OC)c1OC 64564745 NHQCAHQZEGJJNG-UHFFFAOYSA-N 385.445 3.231 0 1 GGAF CCOC(=O)CC(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1F 21639267 WCTUDNBNGBFDTO-GOSISDBHSA-N 383.379 3.035 0 1 GGAF COc1cc([C@H]2[C@@H]3Nc4ccccc4[C@@H]3C[C@@H]3CCC(=O)N32)cc(OC)c1O 26488030 MZSKXOJALGTISZ-ZGWIAZKPSA-N 380.444 3.423 0 1 GGAF O=C(O)c1cn(Cc2ccc(-c3cccnc3)nc2)c2c(F)cccc2c1=O 45336479 DFYWPDHCDVVDOY-UHFFFAOYSA-N 375.359 3.344 0 1 GGAF COc1ccc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)cc1 139833205 ZWOJHDCGAXERAD-UHFFFAOYSA-N 385.427 3.268 0 1 GGAF CCCCNC(=O)N1Cc2c(NC(=O)c3ccccc3)nn(C(=O)C3CC3)c2C1 95577905 NAPQODBHNMFVJN-UHFFFAOYSA-N 395.463 3.011 0 1 GGAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(=O)n(-c2ccccc2Cl)[nH]1 95554574 GTOJQNMTWHWUID-HNNXBMFYSA-N 399.834 3.073 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(CCc1ccc(OCC(=O)O)cc1)[C@@H](C2)C3=O 587442632 RMHRXHBUFXXXJO-JTSKRJEESA-N 382.412 3.298 0 1 GGAF COC(=O)[C@]1(c2c[nH]c3ccc(OC)cc23)CC(=O)c2cc(C)cc(N)c2O1 587397429 VJMXLMABBNHVHP-OAQYLSRUSA-N 380.400 3.101 0 1 GGAF CNC(=O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582320 ZPQTWFXISHDXKG-NFBKMPQASA-N 389.407 3.385 0 1 GGAF COC(=O)C[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587770518 AKABCSAPLFPAIT-VOJFVSQTSA-N 393.256 3.324 0 1 GGAF COC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 587774503 VXVXXONWQOVHKJ-JDNHERCYSA-N 379.229 3.393 0 1 GGAF Cc1cc(=NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]o1 587740643 DRLOZRZXQRWXNQ-XYZCENFISA-N 396.260 3.085 0 1 GGAF COc1ccc(Oc2ncc3ncc(=O)n(Cc4ccc(F)cc4)c3n2)cc1 4238468 FHEKACCHBCZANO-UHFFFAOYSA-N 378.363 3.175 0 1 GGAF Cc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1 1857744989 JASWUFHRYZRUKX-UHFFFAOYSA-N 394.496 3.404 0 1 GGAF CCOC(=O)c1cc2cc([C@@H]3Nc4ccccc4C(=O)N3C)cc(C)c2oc1=O 1857745151 IPPDXQCRSWMUTR-LJQANCHMSA-N 392.411 3.474 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N(C)C 773229 VYYUOPAQKDLUCL-PZJWPPBQSA-N 398.459 3.283 0 1 GGAF Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCc4cccnc4)cc[nH]c3=O)nc12 28893851 KMBRBXVSEQBPJL-UHFFFAOYSA-N 397.442 3.419 0 1 GGAF COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 100632752 ZAKOAAGMLYVQEK-CXAGYDPISA-N 382.485 3.369 0 1 GGAF O=C(NCc1ccc(F)cc1)c1c(O)c2ncccc2n(C2CCCC2)c1=O 102908602 ZOLYFZFUUZDGKY-UHFFFAOYSA-N 381.407 3.286 0 1 GGAF CN(C)CCC1CCN(Cc2ccc(-c3nc4c(c(=O)[nH]3)CCC4)cc2)CC1 20481305 JHKAPZCJHNCPQV-UHFFFAOYSA-N 380.536 3.089 0 1 GGAF O=C(O)c1ccc2c(c1)C[C@H](CCNS(=O)(=O)c1ccc(Cl)cc1)C2 27406283 FMJOLGVWTLFNLG-GFCCVEGCSA-N 379.865 3.122 0 1 GGAF COc1ccc(OC)c([C@H]2COC[C@]3(C2)OCCN[C@H]3c2ccc(F)cc2)c1 26507388 MQBYITUBYNOORJ-XGRCMKMKSA-N 387.451 3.447 0 1 GGAF C[C@H](Cc1ncc(CCCC(=O)O)s1)NC[C@@H](O)c1cccc(Cl)c1 26375925 LULIDPWYMOAXGN-MLGOLLRUSA-N 382.913 3.458 0 1 GGAF CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@H]2CN(Cc3cccnc3)CCN21 2356710225 URMYYFPCVQRXNC-HXUWFJFHSA-N 398.938 3.156 0 1 GGAF COc1cc(OC)nc(Nc2nc([C@H](N)Cc3ccc(F)cc3)cs2)n1 61928344 BWDNXNJYGPUKSS-GFCCVEGCSA-N 375.429 3.076 0 3 GGAF C[C@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 40602002 LILMACHWEDUPFV-XZOYJPPVSA-N 392.499 3.239 0 1 GGAF CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 143406267 FUZUCHDVPZXYLX-CQSZACIVSA-N 384.402 3.462 0 1 GGAF COCCCNC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1 143086772 FSHWYSWVXJHBAE-UHFFFAOYSA-N 381.432 3.390 0 1 GGAF Cc1ccc(C(=O)N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1 96168908 ASJRRLNHGJBBBS-UHFFFAOYSA-N 381.476 3.363 0 1 GGAF CC[C@@H](c1nnnn1C(C)(C)C)N1CCC(n2c(O)nc3ccccc32)CC1 95604079 QOKHIGDVODVHRM-INIZCTEOSA-N 383.500 3.272 0 3 GGAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2cccnc2)[C@@H]1c1ccc(F)cc1 587337674 MGXVINYTMVTYNS-NQIIRXRSSA-N 379.343 3.265 0 1 GGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc([C@@H](N)N=O)cc4[nH]3)cc12 587038088 QEZAQDSPQNEEFL-PSLIRLAXSA-N 397.464 3.034 0 1 GGAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 586964082 ULWGALQALAZJGG-GFCCVEGCSA-N 388.449 3.406 0 1 GGAF COc1ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c2c1 587183182 WGJUCWVNRVRWAU-VIFPVBQESA-N 382.205 3.290 0 1 GGAF CCCN=c1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 587754150 JFPCPFQFHPQAGF-HWPZZCPQSA-N 379.277 3.246 0 1 GGAF Cc1cncc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 587169924 KXOJWXXEUBALKA-LJQANCHMSA-N 396.447 3.473 0 1 GGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(F)cc2[nH]1 586936478 NIFMHUOYAVVXNP-HNNXBMFYSA-N 379.482 3.475 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(NC[C@@H]3CCCO3)nc1)CC2=O 587470397 MIXLEXDBVLIDTE-IFXJQAMLSA-N 383.448 3.432 0 1 GGAF CS(=O)(=O)/C=C/c1nc2c(Br)ccc(Br)c2[nH]1 586923234 GVUSYSGGTFRXAW-SNAWJCMRSA-N 380.061 3.103 0 1 GGAF COc1ccc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1OC 587925786 HTESNHYYXFYMOR-UHFFFAOYSA-N 391.431 3.230 0 1 GGAF N[C@H](Cc1ccc(I)cc1)c1nc2cccc(O)c2[nH]1 587185517 KNYPJMYWFQEUCO-LLVKDONJSA-N 379.201 3.116 0 1 GGAF COc1ccccc1-c1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O 587944712 IGLARCDRWQWQNN-UHFFFAOYSA-N 384.411 3.484 0 1 GGAF CC(=O)Cn1c(=O)n(-c2ccccc2F)c(=O)c2c3c(sc21)C[C@@H](C)CC3 957643980 NBQHOXUILXYXDS-NSHDSACASA-N 386.448 3.067 0 1 GGAF CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@]23N[C@H](C(=O)O)Cc2cc(F)ccc23)C1 962918661 JLKBRLPHJXICNH-NDXORKPFSA-N 390.455 3.041 0 1 GGAF Cc1c(O)ccc2c1[C@H](c1cc(C(F)(F)F)cnc1Cl)N[C@H](C(=O)O)C2 963474610 WXVVBOPQTPXVEG-FZMZJTMJSA-N 386.757 3.456 0 1 GGAF CCOC(=O)[C@]1(c2ccc(Cl)c(F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962907101 SOYJDFGMQVDNHQ-HNAYVOBHSA-N 395.789 3.024 0 1 GGAF c1cncc(CN2CCc3sccc3[C@@]2(c2cccnc2)[C@H]2CCNC2)c1 963018690 XXBLJJSDLWEHKT-SIKLNZKXSA-N 376.529 3.450 0 1 GGAF COc1ccc([C@@]2(c3cc(OC)cc(OC)c3)c3c(cnn3C)CCN2C)cc1 963953541 AVFLPKFOYZYGAK-HSZRJFAPSA-N 393.487 3.226 0 1 GGAF CCn1cccc1[C@@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963153620 WPTBXLCIISXZDK-ZIAGYGMSSA-N 377.466 3.300 0 1 GGAF COc1ccccc1[C@@H]1CN(CC(=O)N2CCSCC2)Cc2ccccc2O1 14964606 ISDXNNOLPVDHSR-NRFANRHFSA-N 398.528 3.206 0 1 GGAF CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCC2)CC1 19446039 RXMIHCPPBJJSCO-FQEVSTJZSA-N 386.519 3.118 0 3 GGAF Cc1ccc(-c2noc(C3(N)CCC3)n2)cc1NC(=O)c1cnc2ccccn12 206113520 KZDMOSVLZIBBNH-UHFFFAOYSA-N 388.431 3.283 0 1 GGAF COc1ccc(-n2nc(C)c3c2OS(=O)(=O)C[C@H]3c2ccc(F)cc2)cc1 1857547505 ROXGKKDJWRFFRF-KRWDZBQOSA-N 388.420 3.183 0 1 GGAF COc1cc(/C=C2\C(=O)Nc3ccc(C)cc32)ccc1OCCN1CCOCC1 1857564629 LQGTZROXOSGDKH-RGEXLXHISA-N 394.471 3.207 0 1 GGAF NC(=S)c1cccc(-c2cn(C[C@@H](O)C(F)(F)F)c3cc(CO)ccc23)c1 1857604638 PJRPMXLQGBXPFE-QGZVFWFLSA-N 394.418 3.358 0 1 GGAF Fc1ccc([C@@H](CN2CCN(c3cnccn3)CC2)NCc2ccccc2)cc1 116237851 HYIBFLUSMGETIK-JOCHJYFZSA-N 391.494 3.269 0 1 GGAF COCCCn1c(S[C@@H]2CCOC2=O)nc2c(sc3ccccc32)c1=O 2961929 NMZCOEFULKFHAO-CYBMUJFWSA-N 390.486 3.055 0 1 GGAF Cc1cc2cc(CCNC(=O)c3cc4ccccc4oc3=O)c(=O)[nH]c2cc1C 4032772 FAZBOHJTOLXHPS-UHFFFAOYSA-N 388.423 3.224 0 1 GGAF COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N3CCCC[C@@H]23)cc1OC 6769436 OFHDXPSNQZQZDF-PXNSSMCTSA-N 380.444 3.434 0 1 GGAF O=C(NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1)n1c(=O)[nH]c2ccccc21 100649638 LISZRGLNFQGDBY-QZTJIDSGSA-N 376.460 3.083 0 1 GGAF O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)C12C[C@@H]3CC1C[C@H](C3)C2 100840442 ATJGTJMAQUFMFP-TWTVVONZSA-N 387.955 3.405 0 1 GGAF NC[C@H](Cc1ccccc1)c1ccc2c(c1)CN(S(=O)(=O)CC1CC1)CC2 116860967 VQFROBTWUQSFMY-NRFANRHFSA-N 384.545 3.070 0 1 GGAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](C(N)=O)C(=O)O)cc1 29561533 ZXILSYIHBWBPKO-GOSISDBHSA-N 394.427 3.000 0 1 GGAF C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1c(-c2ccc(F)cc2)noc1C(=O)O 2356468548 HMJSDTLCVDYGDE-JTQLQIEISA-N 398.346 3.399 0 1 GGAF C[C@@H]1CCCC[C@@H]2C(=O)CC[C@@H]3OC(C=CC=CC=CC(=O)O)=C(C(=O)O1)[C@H]32 2356677060 FXWZJHIHNQQRDJ-OHRYMORCSA-N 386.444 3.494 0 1 GGAF Cc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccc(Br)cc2)cc1 60494351 POZWYAGBFLOBOO-IZZDOVSWSA-N 380.263 3.276 0 1 GGAF CN(CCc1ccccc1)CC[C@@H]1CC[C@@H](O)[C@@H](C(=O)Nc2ccccc2)O1 2356834331 KAYSPKCQKRVLJW-BDTNDASRSA-N 382.504 3.098 0 1 GGAF Cn1cc(-c2cnn3c(NC4CCCCC4)cc([C@@H]4CCCNC4)nc23)cn1 66100200 YFUPVKKUYMTHFV-OAHLLOKOSA-N 379.512 3.341 0 1 GGAF Cc1cc(Nc2ccc(C(F)(F)F)cc2)n2nc(OCCN(C)C)nc2n1 73294401 LZLBSAIMYJZMMV-UHFFFAOYSA-N 380.374 3.136 0 1 GGAF C/C=C(\C)C(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(C)=O 85979746 UGPGHYBHAGRUHW-KNXUDURGSA-N 386.400 3.446 0 1 GGAF COC1CCN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)CC1 95577758 HKIOIZJYDNUAIP-UHFFFAOYSA-N 376.844 3.020 0 1 GGAF CC(C)c1ccc(N2C(=O)N[C@H]3CCN(C(=O)c4ccccc4)[C@@H]3C2=O)cc1 25411092 CSULCJICBLHNIO-OALUTQOASA-N 377.444 3.150 0 1 GGAF biogenic COc1cc2c(cc1OC)C(=O)[C@@H](CCCN[C@H]1CCCc3[nH]c(=O)ccc31)C2 95582764 YRUMQPNKBVCHLC-KSSFIOAISA-N 396.487 3.195 0 1 GGAF CCCSc1nc(NC)ccc1C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 95576783 RVUNIPZUTBSHTG-SQBWKFEKSA-N 375.538 3.295 0 1 GGAF CC(C)N1CCC(Oc2ccc3c(c2)CCN([C@H]2CCN(C(C)C)C2)C3=O)CC1 653767611 GVSNTQYPFWTBAZ-FQEVSTJZSA-N 399.579 3.419 0 1 GGAF N=C(N)c1ccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2c1 587259192 YLXHNQVFBPDHQN-KRWDZBQOSA-N 386.459 3.419 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 587438416 PAJUJFYGPZWROO-HTAPYJJXSA-N 379.412 3.224 0 1 GGAF CNC(=O)[C@H]1C[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587235871 RLCJEKZUHZZEOD-BQBZGAKWSA-N 378.148 3.074 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2c1 586908877 UHMLBPBIEFHKPX-UHFFFAOYSA-N 399.472 3.232 0 1 GGAF Fc1cccc2c(-c3nc4ncc(I)cc4[nH]3)n[nH]c12 587176828 ULPDDAVFQSPIGG-UHFFFAOYSA-N 379.136 3.245 0 1 GGAF CCOC(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436681 AFTMOVKFPLJJHS-IVZQSRNASA-N 377.396 3.383 0 1 GGAF Cc1[nH]c([C@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)c1C(=O)O 962957555 BXTFRXRBRGAZTL-ADLMAVQZSA-N 398.793 3.124 0 1 GGAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@]2(CCCCc3c[nH]cc32)N1 962635002 NNDMGBFOKYPVGF-RDTXWAMCSA-N 380.366 3.482 0 1 GGAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2cc(Cl)cc3c2OCOC3)N1 963228384 RPZNZPHRKJCZST-MOPGFXCFSA-N 396.830 3.443 0 1 GGAF COc1cc(Br)c(C[C@H]2C[C@H]2C(=O)O)c(Br)c1OC 1772594131 JYYXECVMEBTPHQ-RNFRBKRXSA-N 394.059 3.492 0 1 GGAF Cc1ccccc1-c1nc(CN2CCC[C@H](C(=O)NC[C@@H]3CCCO3)C2)c(C)o1 5055737 IIXBLWVBOZKUMB-OALUTQOASA-N 397.519 3.466 0 1 GGAF Cc1ccc(-c2nc(CN3CCC[C@@H](C(=O)N4CCOCC4)C3)c(C)o2)cc1 12469593 NXTLQVDCLTXYSV-LJQANCHMSA-N 383.492 3.029 0 3 GGAF CC(=O)O[C@@]1(C)C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(COC(=O)C1)O2 13456003 RQLCYKFHKADHTG-MBDOPNELSA-N 392.492 3.349 0 1 GGAF biogenic,in-vitro CC(C)c1cc(Nc2nc(N[C@@H](CO)C3CCCCC3)nc3n[nH]cc23)[nH]n1 169702559 ISQKTZJQIVTQSH-HNNXBMFYSA-N 384.488 3.296 0 1 GGAF COCCCOc1cccc([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1 169726016 YBDNSPCVDPDNBZ-ROUUACIJSA-N 380.469 3.333 0 1 GGAF CC(C)(O)[C@@](C)(N=c1nc(-c2ccncc2)[nH]c2cnccc12)C(F)(F)F 1857606497 GSVWCAAXRHTWGQ-QGZVFWFLSA-N 377.370 3.013 0 1 GGAF COc1ccc(Cn2cc(C)c3c(Oc4cc(CN)ncn4)cccc32)cn1 1857612481 PJFRCVPRIBWJFH-UHFFFAOYSA-N 375.432 3.443 0 1 GGAF CCN1CCN(c2ncnc3oc(-c4ccccc4C(F)(F)F)nc23)CC1 1857747029 YLDRJTZUBJKMSS-UHFFFAOYSA-N 377.370 3.446 0 1 GGAF CCC(=O)N(CC)Cc1nc2c(=N)[nH]c3cc(-c4cc[nH]n4)ccc3c2n1CC 1857768277 NYBLTNWFYNMALG-UHFFFAOYSA-N 391.479 3.166 0 1 GGAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4215395 VJOFKDRWNYBCIW-TYPHKJRUSA-N 385.508 3.438 0 1 GGAF COCCn1c(CCC(=O)NCCc2ccc(Cl)cc2)nc2cccnc21 9407821 WUTCSWNEORXWFI-UHFFFAOYSA-N 386.883 3.023 0 1 GGAF COCn1c(=O)c(C(=O)N(C)c2ccccc2)c(O)c2cc(SC)ccc21 100992966 HPHZWQSREYBOAQ-UHFFFAOYSA-N 384.457 3.310 0 1 GGAF CNC(=O)Nc1c(OCCCN2CCCC2)c(OC)c2occc2c1OC 29402535 PQICNBOUFJFMAA-UHFFFAOYSA-N 377.441 3.066 0 1 GGAF O=C(C1CCCCC1)N1[C@@H]2C[C@@H]1CN(S(=O)(=O)c1cccc3ccccc13)C2 101213093 DMYLIFKDVYIQAM-RTBURBONSA-N 398.528 3.394 0 1 GGAF COc1cc(-c2cn(-c3c(O)c(F)cc(F)c3F)nn2)cc(OC)c1OC 28568428 ZFRUTXOFNIQQQY-UHFFFAOYSA-N 381.310 3.083 0 1 GGAF C[C@]12CC[C@H]3[C@H](CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 26174944 GZTBIVVIIVOAGD-IYRCEVNGSA-N 392.565 3.009 0 1 GGAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(N3C(=O)OC[C@H]3C(C)C)c2)nc1 113541878 CRIFTXSXGVVTJH-YWZLYKJASA-N 397.475 3.149 0 1 GGAF Cc1cc(/C=C/C(=O)O)cc(C)c1NC(=O)c1cccc(NC2=NCCN2)c1 29253467 NGLDQEAARWHFFU-VOTSOKGWSA-N 378.432 3.025 0 1 GGAF CC(C)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O 217115504 ZMGKMQGDBAABBN-LWZKNFMGSA-N 383.532 3.427 0 1 GGAF Nc1nc(N)c2c(Cl)c(S(=O)(=O)Cc3ccc(Cl)cc3)ccc2n1 32152740 FEGZRGCPFSFXKD-UHFFFAOYSA-N 383.260 3.075 0 1 GGAF CCOC(=O)CN1C(=O)[C@]2(OCCC=C[C@H]2C)c2c(Br)cccc21 36381894 IMSSLLLODLZGLT-KZULUSFZSA-N 394.265 3.167 0 3 GGAF Cc1ccc(CNc2ncc(C(=O)N3CCOCC3)c(-c3ccccc3)n2)o1 82132371 FUABVDRNODFWKF-UHFFFAOYSA-N 378.432 3.130 0 1 GGAF COC[C@@H](C)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O 45287341 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CCOC(=O)c1nc2cnc(Nc3ccccc3)nc2n(-c2ccccc2)c1=O 29125380 CIZZUEUKGNBQPP-UHFFFAOYSA-N 387.399 3.096 0 1 GGAF Cn1cc(-c2ccc(N3CCC(n4ncc5ccc(F)cc54)CC3)nn2)cn1 103241867 DFAAZTGEFUDAJO-UHFFFAOYSA-N 377.427 3.207 0 1 GGAF COc1ccc(S(=O)(=O)Oc2ccccc2NC(=O)c2ccccn2)cc1 29405198 NWPNLNZIVKSWOU-UHFFFAOYSA-N 384.413 3.110 0 1 GGAF CCC=CC[C@H]1[C@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)CC[C@H]1O 2356682576 NWLLUBUSXVWCKJ-CEDBRAGKSA-N 398.503 3.413 0 1 GGAF NC(=O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)C3Cc4ccccc4C3)[C@H]2C1 26158879 XMDZQTWKEARRJU-LSQAQDSDSA-N 395.543 3.308 0 1 GGAF Cc1c(C(=O)N2CCc3c(ncnc3-c3cnccn3)C2)cccc1C(F)(F)F 219401609 LYSAKHBQGFOSBC-UHFFFAOYSA-N 399.376 3.459 0 1 GGAF COc1ccc(CN2CCC([C@@]3(c4ccccc4)CCC(=O)NC3=O)CC2)cc1 40424196 SCFDELZSHXDBOX-DEOSSOPVSA-N 392.499 3.282 0 1 GGAF O=C(Nc1ccccc1)c1c2c(c3n1CCC3)c(=O)nc1n2C(=O)c2ccccc2-1 45289938 NKTZEWILDIYFCV-UHFFFAOYSA-N 396.406 3.065 0 1 GGAF CCC[C@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 82196293 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O=S(=O)(/C=C/c1nc2c(F)cnc(Br)c2[nH]1)c1ccccc1 586924024 FDFCRECZRCPATP-VOTSOKGWSA-N 382.214 3.304 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(S(C)(=O)=O)c(C)c1)CC2=O 587487378 NXPBPDHAEGSRAA-QGZVFWFLSA-N 375.446 3.158 0 1 GGAF COc1ccc(CCCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(OC)c1 587928305 BTOPMVRCSITIBA-UHFFFAOYSA-N 376.434 3.002 0 1 GGAF NC(=O)COc1ccc(Br)cc1[C@@H]1NCCc2cc(Cl)ccc21 963390356 HYZQKDNUFXJAEN-QGZVFWFLSA-N 395.684 3.202 0 1 GGAF Cc1c(O)ccc2c1[C@](CCC(=O)O)(c1ccc(Cl)s1)N[C@H](C(=O)O)C2 963487901 FHFLWWMIXQPLJI-VOJFVSQTSA-N 395.864 3.123 0 1 GGAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2nccc3cc[nH]c23)N1 962697086 KWGXURRIQWGJTA-UKRRQHHQSA-N 379.313 3.409 0 1 GGAF O=C(O)CCSCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 13488397 GYDHQUSXESKSIV-VKJZPDJHSA-N 391.533 3.125 0 1 GGAF Cc1ccc(-n2ncc(C(=O)O)c2NC(=O)c2cc3ccccc3oc2=O)cc1 1857775206 OTQGQKDGUXBDAW-UHFFFAOYSA-N 389.367 3.238 0 1 GGAF COc1ccc(OCCN2CCN(C(=O)c3cc4ccccc4n3C)CC2)cc1 205777449 LOOPVARSTUYIDY-UHFFFAOYSA-N 393.487 3.024 0 1 GGAF C[C@]12CCOC[C@@H]1[C@]1(COC(N)=N1)c1cc(-c3cncc(Cl)c3)ccc1O2 103253279 RDZAVTLTLVWTMX-IHPCNDPISA-N 385.851 3.130 0 1 GGAF COc1cc(S(=O)(=O)c2cccc(O)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 100633117 CNJVPMHSADONCW-SJKOYZFVSA-N 398.484 3.075 0 1 GGAF O=C1N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3c(=O)n2-c2ccccc21 61949283 HGQMJTMJFMBRAN-LJQANCHMSA-N 383.407 3.119 0 3 GGAF Cc1ccc(NC(=O)c2ncn(CC(=O)NC[C@H](C)c3ccccc3)n2)cc1C 61945195 CPAWJELSSYRAIS-KRWDZBQOSA-N 391.475 3.067 0 3 GGAF O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCCC2)cc1F 216252495 DFHIWKWFFNWARQ-UHFFFAOYSA-N 381.469 3.494 0 1 GGAF COc1ccc(CN2CC[C@H]3CC(=O)N(Cc4cccnc4)CC[C@H]3C2)cc1 15673126 WIPTWKVSXSRXNC-SFTDATJTSA-N 379.504 3.351 0 1 GGAF biogenic CN(C)CCNc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12 40848310 QYSDZDWFJBQSFW-UHFFFAOYSA-N 390.535 3.022 0 1 GGAF CN(c1cccc(Cl)c1)c1c(C(N)=O)cnc2ccc(S(C)(=O)=O)cc12 40914703 FBXJKKPXYGNOFK-UHFFFAOYSA-N 389.864 3.159 0 1 GGAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@@H]1[C@]3(C)CCC[C@]21CO[C@@H]3O 199072038 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Cc1csc([C@](O)(Cc2nc3cc4c(cc3[nH]2)OCCCO4)C(F)(F)F)n1 587094749 UWYXXHFVKFBFLJ-MRXNPFEDSA-N 399.394 3.482 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2NC(=O)c3ccccc3N2)N1 587792953 IYCZQMSOLXDLJQ-RSKJOKDDSA-N 390.256 3.345 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)c4cnn(C)c4)cc1)[C@@H](C2)C3=O 587432108 NBIPDFQDHVXEMB-UWJYYQICSA-N 390.395 3.137 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(=O)c3ccnn3C)cc1)O2 587392879 WPRVYLJKNMMKMK-LJQANCHMSA-N 377.400 3.236 0 1 GGAF COc1cc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cc1OC 587093004 COJTWVIANHQUDL-OAHLLOKOSA-N 387.383 3.338 0 1 GGAF O[C@H]1C[C@H](c2nc3cc(I)cnc3[nH]2)c2ccccc21 586905088 YMHRCLUQWQKQSP-AAEUAGOBSA-N 377.185 3.132 0 1 GGAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587071009 UXIKISKFZAYBFE-QGZVFWFLSA-N 384.911 3.334 0 1 GGAF CN(Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169593 CZJOZFWNSZCVAF-UHFFFAOYSA-N 389.786 3.454 0 1 GGAF O=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(C3CCCCCC3)CC2)CC1 12442176 ACHTVAWNTNIJDM-QFIPXVFZSA-N 391.600 3.181 0 3 GGAF COc1ccc([C@@H]2OC(=O)C[C@@H]2C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1OC 13110940 BICWFCHKXAYWKE-GSGIUTRGSA-N 375.465 3.249 0 3 GGAF O=C(O)CN1C(=O)S/C(=C\c2cccc(OCCc3ccccc3)c2)C1=O 1857548826 HAZZNZZMORFHGM-ATVHPVEESA-N 383.425 3.429 0 1 GGAF O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4051632 CNVWIPAUAMJMCG-URVUXULASA-N 390.439 3.091 0 1 GGAF COc1ccc([C@H](C(=O)NC2CCCCC2)N2CCC3(CC2)OCCO3)cc1 59888542 RAOHKEJBOQABAB-HXUWFJFHSA-N 388.508 3.024 0 3 GGAF O=C(O)[C@H]1C/C(=C2/CC(=O)N(c3ccccc3)C2=O)c2ccc(Cl)cc2N1 28823021 IBCPWDLVCKHIMP-IAOULYHDSA-N 382.803 3.326 0 1 GGAF O=C(Cc1ccncc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccc(F)cc2)cc1 100109152 TZFNMUJHHAXWOB-ACHVPNTGSA-N 387.458 3.397 0 1 GGAF CCN(CC)C(=O)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 29124242 LGGMMHAKUGQHSN-OAQYLSRUSA-N 396.487 3.046 0 1 GGAF COc1cccc([C@](C)(O)c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1 61906420 RQHRXXNPEMLLBX-IBGZPJMESA-N 389.498 3.478 0 3 GGAF COc1cc2c3c(c1OC(C)=O)[C@]1(C=C[C@H](OC(C)=O)CC1)C[C@H]3N(C)CC2 2356469428 NDNMVOQTUROVEV-JKSBSHDWSA-N 385.460 3.073 0 1 GGAF COC(=O)N1CCc2cc(O)c(OC)c3c2[C@H]1Cc1cc(OC)c(OC)cc1-3 2356588076 HUNDOXNVOAEPPU-CQSZACIVSA-N 385.416 3.307 0 1 GGAF O=C1CO[C@H]2CN(Cc3ccccc3)C[C@@H]2N1Cc1cccc(C(F)(F)F)c1 2356736786 NSMXETXALDTOHD-OALUTQOASA-N 390.405 3.317 0 1 GGAF O=C(CCCN1c2ccccc2[C@H]2C[C@H]3CNCCN3C[C@H]21)c1ccc(F)cc1 28872189 IIYOGQVRYCSVTF-XKCSPQBFSA-N 393.506 3.439 0 1 GGAF CCc1ccccc1NC(=O)CN1C(=O)[C@H]2CCCN2c2ncc(Cl)cc21 20388200 QUECLWJASNJNRZ-MRXNPFEDSA-N 384.867 3.252 0 3 GGAF CCC(=O)N(Cc1ccco1)[C@H](C(=O)NCc1ccccc1)c1cccnc1 2356818297 DSJRFMXXTKWLDC-NRFANRHFSA-N 377.444 3.471 0 1 GGAF CCc1nc2ccc(C(=O)NCCC(C)C)cn2c1N(CCN(C)C)CC1CC1 61907167 UGJJSTUZDXNKTQ-UHFFFAOYSA-N 399.583 3.451 0 3 GGAF CN1CCN(CCCOc2ccc3c4c(nccc24)-c2ccccc2C3=O)CC1 71335340 LOIVFJYITDDQIW-UHFFFAOYSA-N 387.483 3.463 0 1 GGAF CCC(=O)N1CCC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218972160 WEBSKLAXHVKIKB-LZBHBKQYSA-N 398.547 3.482 0 1 GGAF C[C@@H](O)C(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 40879815 DGZBCKSHKIBZKD-SNVBAGLBSA-N 392.242 3.071 0 1 GGAF CC(C)(CO)Cn1c(NCc2ccccc2Cl)nc2cc(C(N)=O)ccc21 49066751 IXCSRVOEYHWPRG-UHFFFAOYSA-N 386.883 3.419 0 1 GGAF Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)NCc4ccco4)C3)co2)cc1 82069336 ZKFUVKGVFZUKJA-KRWDZBQOSA-N 393.443 3.412 0 1 GGAF CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1n[nH]c2ccccc12)C1CC1 139050277 GXMIIJMWFQTOOM-LJQANCHMSA-N 391.475 3.219 0 1 GGAF C[C@H](CO)NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 142655876 YLAUVZCWSMNZAX-GFCCVEGCSA-N 387.823 3.080 0 1 GGAF CN1CCN(CCCCn2c(C(F)(F)F)cc(=O)c3cc(F)ccc32)CC1 96910142 AWUQCXFBXXYCOP-UHFFFAOYSA-N 385.405 3.187 0 1 GGAF CN1[C@H]2CC[C@H]1[C@H](C(=O)OCc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 253638858 CODRVQGKDHKTDZ-TUFLPTIASA-N 379.456 3.438 0 1 GGAF O=C1[C@@H]2[C@@H]3C[C@H]4[C@H]5[C@@H]3[C@@H]1[C@@H]5[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H]42 587603545 NFYLWRKQZDBMMC-WJSXNPKASA-N 386.403 3.049 0 1 GGAF CCC[C@@]1(CC(=O)C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594312 GJUSCGKPGVJRIG-GCJKJVERSA-N 398.411 3.415 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(N)=O)N1 587749058 MSXSKWWPOVQOFF-XTZNXHDOSA-N 393.256 3.076 0 1 GGAF CCOC(=O)/C(=C\N(C)C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568218 BADMFXCZMRRTHR-RBEDAYOQSA-N 397.427 3.121 0 1 GGAF N[C@@]1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C[C@H]1c1ccccc1F 587154012 BLKZCXDXUCYHJQ-ZBEGNZNMSA-N 399.369 3.337 0 1 GGAF CNS(=O)(=O)c1cc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)n(C)c1 586947249 KPHXOKBYOUURGO-UHFFFAOYSA-N 396.472 3.056 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(N3CCC(O)CC3)ccc1N)O2 587392722 CDMGJVVOLKTAKU-JOCHJYFZSA-N 381.476 3.001 0 1 GGAF CC(C)C(CC(=O)OC[C@@]1(CO)C/C(=C\c2ccccc2O)C(=O)O1)C(C)C 13704233 JMFMLMIFLPJDAR-IXNCKXOBSA-N 390.476 3.315 0 1 GGAF COc1cc2c3c(c1OC)-c1ccccc1[C@H](OC(C)=O)[C@H]3N(C(C)=O)CC2 14635285 LHFZBPLGDRPNMH-SFTDATJTSA-N 381.428 3.434 0 1 GGAF biogenic CCc1c(C)nc2nc(NCc3cc(Br)ccc3OC)nn2c1O 15669006 XZHQJUAVPMIVER-UHFFFAOYSA-N 392.257 3.084 0 1 GGAF COC(=O)[C@@H](Cc1ccccc1)[N@]1O[C@]12CCCC[C@@H]2NC(=O)OC(C)(C)C 1857623820 FHGQYJRGXRTTCZ-ISFWSWAHSA-N 390.480 3.182 0 1 GGAF CCOc1ccc2c(c1)NC(=O)Nc1cnc(C#N)c(n1)OCCC=CCO2 253660011 LVVJTXOBRLBWIB-UHFFFAOYSA-N 381.392 3.108 0 1 GGAF CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1cc(OC)ccc1OC 4437319 FBQKXKGDCFEGLT-VLIAUNLRSA-N 382.460 3.316 0 3 GGAF O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)[C@H]1CC(=O)N(c2ccccc2)C1 103193670 CXFKMCBHHLKGBU-ZDUSSCGKSA-N 382.807 3.382 0 1 GGAF COc1cc(C[C@H](C)NCC2CC2)c(OC)cc1I 26016258 DGTQYSIECYTXFX-JTQLQIEISA-N 375.250 3.239 0 1 GGAF NCc1ccc(-n2c(-c3cccnc3N)nc3cc(Br)cnc32)cc1 118266382 OMQZNKIQMWDSNI-UHFFFAOYSA-N 395.264 3.286 0 1 GGAF Cc1ccc(-n2nc3c4cc(CCc5ccccn5)ccc4nc(O)n3c2=O)cc1 66252849 GHSIAOXULGTYFC-UHFFFAOYSA-N 397.438 3.228 0 1 GGAF N[C]1Sc2ccccc2N1CC(=O)c1ccc(I)cc1 2356820215 PBAFORBLDVNENG-UHFFFAOYSA-N 395.245 3.492 0 1 GGAF N=C(N)c1cccc(OCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1 26380532 CHZYPZGOCKQSGD-UHFFFAOYSA-N 394.475 3.004 0 1 GGAF O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2C[C@H]1Cc1ccccc1 49125608 NLFUWFNEKPIFHZ-QGZVFWFLSA-N 387.892 3.421 0 1 GGAF COc1cc2c(cc1Oc1c3c(cc(OC)c1OC)CCN(C)C3)CCN(C)C2 14824600 UOYCGRPJZBGZHR-UHFFFAOYSA-N 398.503 3.481 0 1 GGAF biogenic CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]3[C@@H]4O[C@@H](/C=C(/C)[C@H](O)CC[C@]4(C)OC[C@@H]2C)[C@@H]31 42877320 QQUBMUOPSYDXCO-RDUQAZOVSA-N 378.509 3.100 0 1 GGAF CCOc1ccccc1-c1nc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cs1 82069142 SRNVMTDVXLLELV-INIZCTEOSA-N 395.484 3.035 0 1 GGAF O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 82193414 HVBOKZXLZUGYFK-RDJZCZTQSA-N 375.469 3.213 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1 249838670 RQFWPUMZXCDQRH-PMUMKWKESA-N 384.517 3.411 0 1 GGAF N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NC(=O)c2cccc3ccccc23)CC1 257873065 OGWARBNUWZYESR-WFXMLNOXSA-N 379.504 3.078 0 1 GGAF CCS(=O)(=O)c1ccc(-c2cc3c(Nc4ccncc4)ncnn3c2)cc1 299825330 CBTNAWWDNNWUHR-UHFFFAOYSA-N 379.445 3.329 0 1 GGAF Oc1ccc(C2(c3nc4cc(I)cnc4[nH]3)CC2)cc1 586899075 SEEDLIDRMVKPJR-UHFFFAOYSA-N 377.185 3.348 0 1 GGAF CCOC(=O)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587704296 JCLIAWKFYJEGKW-WPPNPWJKSA-N 384.167 3.443 0 1 GGAF CC[C@@H](c1nc2cncc(C)c2[nH]1)n1cc(I)c(C)n1 587184400 JAUHFMPTVWPLIV-LBPRGKRZSA-N 381.221 3.375 0 1 GGAF COC(=O)c1noc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587222 MXLCLTCYCYJSLZ-IIBYNOLFSA-N 395.367 3.352 0 1 GGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(O)nn1 587858069 CNTSXBPZJPRVCR-UHFFFAOYSA-N 379.203 3.440 0 1 GGAF COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cccnc1 587623780 PEFWERRYZUQFJA-UHFFFAOYSA-N 399.204 3.219 0 1 GGAF O=C(O)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587117794 GWPHABVUZCZKRC-UHFFFAOYSA-N 377.282 3.180 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2cnn(C)c2)N1 587764416 PNTVOQWZJZXRJG-BMLIUANNSA-N 380.261 3.344 0 1 GGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(Cl)nc2[nH]1 587121091 RNRGXYBWHARUQN-UHFFFAOYSA-N 396.760 3.035 0 1 GGAF CCOC(=O)CNc1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 587227654 RFZFYLYIQUUUBO-UHFFFAOYSA-N 375.226 3.362 0 1 GGAF CC[C@H](O)[C@@]1(CC)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963140975 JADCJGXZMMLLHK-CVDCTZTESA-N 398.503 3.361 0 1 GGAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1CC[C@H]1CCCO1 963155873 ZLDSJOPZXXLWPP-BNOWGMLFSA-N 382.482 3.390 0 1 GGAF CCCCn1c(=O)n(C[C@H](O)c2ccccc2)c(=O)c2c1ncn2C1CCCC1 13152671 WZQGJYPJXKOBJV-SFHVURJKSA-N 396.491 3.009 0 3 GGAF O=C(O)Cc1nn(Cc2cc(-c3ccccc3)ns2)c(=O)c2ccccc12 13449082 RQSXAKYHCNGAIH-UHFFFAOYSA-N 377.425 3.195 0 1 GGAF CCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC)OC(=O)CCCCC 13760013 FPAQPGHMQIVIBS-CQSZACIVSA-N 382.390 3.365 0 1 GGAF COc1cc(NC(=O)C[C@@]2(C)N=C(c3ccccc3C)N(C)O2)cc(OC)c1 205233744 QBVPRZUGXOCGIL-NRFANRHFSA-N 383.448 3.381 0 3 GGAF Cc1c(C(=O)N2CCC(C3CC3)CC2)cnn1-c1nc(O)c2ccsc2n1 1857599806 NNLBQKKBBLNWHG-UHFFFAOYSA-N 383.477 3.153 0 1 GGAF CC1(C)OC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2C(=O)C[C@H]2C[C@H]4C[C@@]23CC[C@]4(O)CO)O1 2356323359 BFMJDQAEEZUQAJ-OXDYCDMGSA-N 392.536 3.063 0 1 GGAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)[C@@H](c2ccc4c(c2O)OCO4)CO3)O1 2356333765 VRSWDWNMAMDGTG-GFCCVEGCSA-N 382.368 3.370 0 1 GGAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4216321 DJGARSHNWDGLPW-UHOSZYNNSA-N 375.469 3.031 0 1 GGAF CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)c1ccco1 4546728 UHIBVKMQCGHNAF-QZTJIDSGSA-N 394.512 3.002 0 1 GGAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1[C@H]2CCC[C@@H]1C[C@H](C(N)=O)C2 101136201 VSBPAZLSKLWBGS-BNFBLXTJSA-N 378.900 3.294 0 1 GGAF CCCC[C@@H](NC(=O)c1ccc(/C=C/C(=O)O)cc1)C(=O)NCc1ccccc1 26744372 FZEPCXZLFRPIBN-IZLCOFNUSA-N 394.471 3.389 0 1 GGAF CCCCN(CCCC)C(=O)C[C@@H]1[C@H](O)CC[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@@]12C 2356683149 JBZRBJLHXOKMBR-SZAWYWIZSA-N 397.600 3.352 0 1 GGAF COC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(C)C[C@@H](c3ccccc3)N(C)CCN12 2356834550 KCKDVBHHSKMPEC-REWPJTCUSA-N 392.503 3.397 0 1 GGAF C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(N)=O)ccc2c1)n1ccnc1)N(C)C 28332488 OZXGHWIQASWJQX-IERDGZPVSA-N 394.519 3.466 0 1 GGAF COc1c(C(=O)O)c(O)c(S(=O)(=O)Nc2ccc(Cl)cc2)c2occc12 64553204 ZJMMBAPVBRCDAR-UHFFFAOYSA-N 397.792 3.299 0 1 GGAF CO/C=C(/C(=O)OC)c1ccccc1CSc1nc2nc(C)cc(C)n2n1 35328650 IKXPWJBFCKIHDZ-MHWRWJLKSA-N 384.461 3.194 0 1 GGAF NCCC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)C1 72108966 HKVUXIPTUHZJDC-UHFFFAOYSA-N 397.429 3.263 0 1 GGAF CCC(=O)N1CCc2cc(S(=O)(=O)N3CCCC[C@H]3c3cccnc3)ccc21 34858502 OZDLOWZHYMHSMD-FQEVSTJZSA-N 399.516 3.297 0 1 GGAF COc1c(OC)c(OC)c2c(=O)c(-c3ccc4c(c3)OCO4)coc2c1OC 14437447 HWBCSFORKNCICS-UHFFFAOYSA-N 386.356 3.223 0 1 GGAF biogenic,in-vitro Cc1c2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc2nn1C 1911571673 NJFSTRIFWJDZKD-UHFFFAOYSA-N 390.274 3.202 0 1 GGAF C/N=c1\[nH]c2cnc(Nc3ccc(OC)c(OC)c3)cc2n1Cc1ccco1 82082909 PERKBOFFKJIONU-UHFFFAOYSA-N 379.420 3.297 0 1 GGAF CSc1nn(-c2ccccc2)c2cc(N3CCN([C@@H]4CCNC4)C3=O)ccc12 147344952 WCFRHSMOXDFMTP-QGZVFWFLSA-N 393.516 3.351 0 1 GGAF O=C(Nc1ccn(-c2ccccc2)n1)c1ccc2cc3n(c2c1)CCCNC3=O 147853137 DIXSQYRGYUUWJO-UHFFFAOYSA-N 385.427 3.213 0 1 GGAF O=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2CO)c1)c1c(Cl)cccc1Cl 96928702 VPWDVXYZRVBPPK-ONGXEEELSA-N 380.231 3.208 0 1 GGAF CC(C)CCNc1ccc(-c2cnc3ccc(NC4CCNCC4)nn23)cn1 96907657 XRTNQCXDGCEFCK-UHFFFAOYSA-N 379.512 3.413 0 1 GGAF N#Cc1ccc(S(=O)(=O)Nc2cc(OC(F)(F)F)cc3cccnc23)cn1 141818989 OESVQYBQQPEVNE-UHFFFAOYSA-N 394.334 3.201 0 1 GGAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cccc(Cl)n1 299840677 YLQGRTBVNWBSAB-UHFFFAOYSA-N 385.203 3.158 0 1 GGAF O=C(Nc1ccc2c(c1)C=C(C(=O)N1CCCCC1)S2(=O)=O)c1ccccc1 473154472 HVXBTZPBFHZGAE-UHFFFAOYSA-N 396.468 3.080 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(F)cccc12 587737957 ILJKQCNMIUXXKA-WNWIJWBNSA-N 379.204 3.457 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1cn(CC(=O)O)nc1-c1ccccc1)[C@@H](C2)C3=O 587432134 NTCCKICBQTVGOD-OYHNWAKOSA-N 390.395 3.132 0 1 GGAF Nc1ccc(-c2ccc3nc(-c4cnc5ncnn5c4C(F)F)[nH]c3c2)cc1N 587128432 NCRXIBOXIHLKCY-UHFFFAOYSA-N 392.373 3.437 0 1 GGAF Cc1cc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2cc1Br 586944297 JSJNQZIBTJCBTF-UHFFFAOYSA-N 398.282 3.251 0 1 GGAF COc1ccc2c(C)c(CCc3nc4ccc(C(N)=O)cc4[nH]3)c(=O)oc2c1C 586917641 DYMWDEINXAMKLQ-UHFFFAOYSA-N 391.427 3.179 0 1 GGAF O=C(NCCc1nc2c(F)cnc(Br)c2[nH]1)OCc1ccccc1 587228761 XVZGMHIEJLLXTH-UHFFFAOYSA-N 393.216 3.328 0 1 GGAF Cc1ccc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2c1 586946857 UCRLGVOGVDZGNB-HNNXBMFYSA-N 385.489 3.304 0 1 GGAF CCOC(=O)COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587438831 IBVDEOHRXQIVEM-QRQCRPRQSA-N 398.411 3.134 0 1 GGAF COc1cccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c12 587185560 LNJXQBTVBTWHLR-LBPRGKRZSA-N 393.228 3.419 0 1 GGAF CC(C)Oc1ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1 586931667 IOLJKDBOAAIBIW-UHFFFAOYSA-N 389.477 3.179 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(C(F)(F)F)ccc41)[C@@H](C2)C3=O 587421479 LEPJPZPRFLHOGG-SGTLLEGYSA-N 375.302 3.309 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587398692 GMZVIMCHATYSLU-JOCHJYFZSA-N 381.428 3.269 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2cnn(C)c2)N1 587760979 ROIGPAFDGIOYDY-HUTHGQBESA-N 390.260 3.335 0 1 GGAF OC1(CNC[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)CCCCC1 1772636369 GCGVYFWUCMRVNF-WKILWMFISA-N 382.512 3.164 0 1 GGAF CC[C@H](C)[C@H]1COCCS(=O)(=O)N1Cc1ccc(Br)cc1 15937276 VFHMIHVAXPIEQX-SWLSCSKDSA-N 376.316 3.026 0 3 GGAF Cc1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccc2c(n1)N(C1CC1)[C@H](C)C(=O)N2C 1857642525 YBUMBAJJSBIYAF-HUUCEWRRSA-N 390.487 3.315 0 1 GGAF O=C(CCc1ccc(I)cc1)OCCCc1c[nH]cn1 13747354 ASQUEGTXNJDXRT-UHFFFAOYSA-N 384.217 3.123 0 1 GGAF CC(C)C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](COC(C)(C)C)C(=O)N21 1656501 NFTGGKHBTWDPAV-OTWHNJEPSA-N 397.519 3.322 0 1 GGAF O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2s1 2461466 ZNJIQUDIHMJMAZ-UHFFFAOYSA-N 390.364 3.289 0 1 GGAF O=C(NCCCN1CCCC1=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 2478468 WCAUFLMGUZTQTE-UHFFFAOYSA-N 397.406 3.483 0 1 GGAF Cc1nc2nc(N3CCCC3)nn2c(-c2ccc(Cl)cc2Cl)c1CN 58502196 ZDFLBTOOJQTNSU-UHFFFAOYSA-N 377.279 3.465 0 1 GGAF COC(=O)c1ccc2nc(CO[C@H]3CN(Cc4ccccc4C)C[C@@H]3F)[nH]c2c1 2356299295 FABFUYUARHPDBZ-PXNSSMCTSA-N 397.450 3.397 0 1 GGAF Cc1cnc2c(N[C@H](C)CO)nc(SCc3cccc(F)c3F)nc2n1 29128596 VTXVSDWMIQHUGV-SNVBAGLBSA-N 377.420 3.091 0 1 GGAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](c1ccccc1)(N1CCNCC1)C(=O)N2 219377320 IPVRGYVWHTWOHB-HSZRJFAPSA-N 388.471 3.059 0 1 GGAF CC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)SC[C@@H]2CCCN32)C(=O)O1 40566937 ODVIRJNZADJDSP-AAEUAGOBSA-N 381.498 3.162 0 1 GGAF O=C1CCc2ccc(OP(=O)(O)O)c(c2)Oc2ccc(cc2)/C=C\CO1 43022895 ZNWODBOIMZBRLP-UPHRSURJSA-N 376.301 3.453 0 1 GGAF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)O)sc(C)c1C 195403320 YFKSAVBJECMZLF-GBOPCIDUSA-N 377.462 3.393 0 1 GGAF CCCN1CCN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)CC1 221157518 HIQZZCFQCCFITR-UHFFFAOYSA-N 380.496 3.339 0 1 GGAF Cc1nn(-c2ccccc2)cc1-c1cnc2ccc(NC3CCN(C)CC3)nn12 96937457 JPXJLUJWJQEPJL-UHFFFAOYSA-N 387.491 3.397 0 1 GGAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CN1CCCC1 143874348 JFFUDDCLCYYQOY-YBEGLDIGSA-N 382.439 3.298 0 1 GGAF COc1cccc(NC(=O)N2[C@H](CO)[C@H](c3ccccc3)[C@H]2CNC(C)C)c1 95895197 RLOBSZGUXAQKLP-NJDAHSKKSA-N 383.492 3.054 0 1 GGAF Cc1cn2cc(C(=O)Cc3ccc(F)c([C@]4(C)CCSC(N)=N4)c3)ncc2n1 96172062 YSGNNBXDQGADFL-FQEVSTJZSA-N 397.479 3.269 0 1 GGAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4nc(Br)c[nH]c-4n1)(C3)C2 587949591 IGQYNLSAGKHGND-HLASGMPESA-N 391.269 3.221 0 1 GGAF COc1ccc([C@@]2(C[C@H](C)C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587443197 PHDUQDATQUZXPX-UZWKXWHHSA-N 382.412 3.458 0 1 GGAF CCOC(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454544 UHAIWAHQGJFDSN-QRQCRPRQSA-N 396.395 3.020 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-n2c1nc1ccccc1c2=O 587394412 GOYVEQJTBIBSKD-DEOSSOPVSA-N 395.418 3.499 0 1 GGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(Cl)ccnc2[nH]1 587121109 SKZJNWXZFOFVQL-UHFFFAOYSA-N 396.760 3.035 0 1 GGAF CNC(=O)[C@H]1C[C@H]1c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 587234298 DVZKCUDHKGHPKP-NEPJUHHUSA-N 382.395 3.082 0 1 GGAF COC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 587770942 KZDGXAKWKFAXCB-XXFAHNHDSA-N 379.229 3.393 0 1 GGAF CCOC(=O)c1nn(C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587762762 FXNXBQFRAWEXFI-PSLIRLAXSA-N 396.260 3.122 0 1 GGAF COC1=C[C@]2(C[C@H](C(=O)O)C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587601356 SGWDBGWVHTVLDV-CNBXIYLPSA-N 382.368 3.118 0 1 GGAF O=C(NCc1nc(NCCCc2ccccc2)c2ccccc2n1)[C@H]1CCCO1 14981906 PIVBJKFOQAHDGY-HXUWFJFHSA-N 390.487 3.470 0 1 GGAF CN(C)CCCCNC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166855623 NQFPPXUZJZIZOF-UHFFFAOYSA-N 398.482 3.445 0 1 GGAF CCN(CC)CCCOc1ccc(Nc2nccc(N3CCOCC3)n2)cc1 1857590193 FVRNGPAHVWTRRX-UHFFFAOYSA-N 385.512 3.168 0 1 GGAF Cc1c(C(=O)CSc2nc3ccccc3[nH]2)c(=O)n(-c2ccccc2)n1C 1632334 PFQPCYGHPXCKFR-UHFFFAOYSA-N 378.457 3.336 0 1 GGAF O=C(Nc1ccccc1)N1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1 3955789 SGODQWIOWBOYKT-UHFFFAOYSA-N 385.489 3.005 0 1 GGAF Cc1ccccc1-n1cc(CNC(=O)CN2Cc3ccccc3O[C@H](C)C2)cn1 12078492 JIDAKQVWEXOEDA-GOSISDBHSA-N 390.487 3.080 0 1 GGAF COc1cnc(C[S@](=O)c2nc3cc(OC(F)F)ccc3[nH]2)c(C)c1OC 13451972 WTHPKXVBOMLIIH-HHHXNRCGSA-N 397.403 3.193 0 1 GGAF COc1cc([C@H]2c3cc4c(cc3O[C@](C)(O)[C@H]2C)OCO4)cc(OC)c1OC 17174558 QSGVFQHJEFDOAR-MPZARTNMSA-N 388.416 3.310 0 1 GGAF FC(F)(F)c1cccc(N2CCN(CCCCN3C[C@H]4CCCN4C3)CC2)c1 19332321 NVCBGFXSGMDPNR-HXUWFJFHSA-N 396.501 3.345 0 1 GGAF COC(=O)/C=C\c1ccccc1-c1ccc2oc(N3CCOCC3)cc(=O)c2c1 28562986 CQFQQHKTOFMXTI-CLFYSBASSA-N 391.423 3.483 0 1 GGAF CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1cccc(F)c1 29130507 CNAHRPLBYREXJE-UHFFFAOYSA-N 383.467 3.258 0 1 GGAF O=S(=O)(N[C@@H]1[C@@H]2CC[C@@]1(CO)Cc1ccccc1C2)c1ccc(Cl)s1 34010457 GYBDFFZMKZVVPY-XWIAVFTESA-N 397.949 3.236 0 1 GGAF Cc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)cc1 43152953 BOQIBRQHNFTPDW-UHFFFAOYSA-N 396.487 3.207 0 1 GGAF Cc1ccc(CN2CCN(C[C@H](O)COc3ccc4c(c3)CCC4)CC2)cc1 45201174 KWDRLGSVLOIDMT-QHCPKHFHSA-N 380.532 3.041 0 1 GGAF COC(=O)C1CCC(COc2ccc(/C=C3\SC(=O)NC3=O)cc2)CC1 45366823 PSYKMFLSDVUOFK-YBEGLDIGSA-N 375.446 3.369 0 1 GGAF Nc1[nH]nc2nc(N3CCCCC3)c3c(c12)CCN(CCc1ccccc1)C3 84466209 SQJZPVCNOWLFPM-UHFFFAOYSA-N 376.508 3.131 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5ccncc54)ccc31)[C@H]1CC[C@H](C2)N1 100632901 VBADCNLCNDVGHG-RHSMWYFYSA-N 392.484 3.114 0 1 GGAF O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)C12C[C@@H]3C[C@H]1C[C@@H](C3)C2 100840440 ATJGTJMAQUFMFP-OKTNOGNMSA-N 387.955 3.405 0 1 GGAF COc1cc(O)cc(N(CCCO)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1 204148332 PRQYUAHLKCIUTM-UHFFFAOYSA-N 391.431 3.255 0 1 GGAF C[C@@H](NC(=O)Nc1cc2n[nH]c([C@H](N)C(F)(F)F)c2cn1)c1ccccc1 219772608 BSNHYYQFUCCNLF-PSLIRLAXSA-N 378.358 3.403 0 1 GGAF O[C@H](CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)C1CCOCC1 261106361 HNHKGQUPTFIUQU-QGZVFWFLSA-N 381.398 3.040 0 1 GGAF COc1cc2nc(N3CCCC3)nc(NCCCCCN(C)C)c2cc1OC 299833505 PCZVELLZUFJMOM-UHFFFAOYSA-N 387.528 3.391 0 1 GGAF O=C1N=c2ccccc2=C1C=C1C=CN(Cc2ccc(Br)cc2)C=C1 377466643 RAUFNOZLUNEYLG-UHFFFAOYSA-N 391.268 3.229 0 1 GGAF CC[C@@]12CCN(C(=O)[C@H]3COc4ccccc4O3)[C@H](Cc3ccc(O)cc31)C2 473233280 MBPCLMQATZONBH-VZPUWSDOSA-N 379.456 3.427 0 1 GGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cncc(Cl)c4[nH]3)CC2)cc1 586955219 MYJRJGZEBJSLFQ-UHFFFAOYSA-N 390.896 3.488 0 1 GGAF Cc1cc2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc2c(C)n1 587024403 YMRIXWIQUPZSJJ-UHFFFAOYSA-N 379.449 3.060 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)nnn3C)N1 587757706 HNMNTMGWJIZLSS-VVVCHXIZSA-N 375.245 3.494 0 1 GGAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1cccs1)(c1ccc(CN)s1)NCC2 962928965 UYOJWWVNDZXNQI-OAQYLSRUSA-N 397.569 3.408 0 1 GGAF COc1cc2c(cc1OC)[C@@](C)(CCCCC(=O)O)NCC21CCOCC1 963189421 PBDDTLLECVJZBH-HXUWFJFHSA-N 377.481 3.215 0 1 GGAF NS(=O)(=O)c1cccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c1 1772571893 ITOJSNQMABUYST-UHFFFAOYSA-N 395.408 3.277 0 1 GGAF CC(=O)c1ccc(-c2cccc(NC(=O)CCc3cccc4c3COB4O)c2)cc1 1857534762 BSVRKGIBCCSVOT-UHFFFAOYSA-N 399.255 3.345 0 1 GGAF CCCc1nn(C)c2c(N(C)C)nc(-c3cc(OC)c(OC)c(OC)c3)nc12 1857535338 VEQODNIBQZJURF-UHFFFAOYSA-N 385.468 3.075 0 1 GGAF Fc1ccc(/C=C/c2nc3ccccc3c(=NCCCN3CCOCC3)[nH]2)cc1 1857557797 LEGCDBUGEYYCLP-DHZHZOJOSA-N 392.478 3.495 0 1 GGAF CC1=C(C(=O)OC(C(F)(F)F)C(F)(F)F)[C@H](c2ccsc2)NC(=O)N1 1857592827 RJIZGZFPNVUVSE-QMMMGPOBSA-N 388.289 3.412 0 1 GGAF O=c1nc(C(F)(F)F)ccn1C[C@@H]1C[N@@]1Cc1cc2ccccc2nc1Cl 1857742863 SSSKQXYXMURXBW-ZBSNKRKSSA-N 394.784 3.348 0 1 GGAF CCOC(=O)[C@](NCc1ccc(F)cc1)(NC(=O)c1ccccc1)C(F)(F)F 19943470 BVMQRGWSPWXESZ-SFHVURJKSA-N 398.356 3.167 0 3 GGAF aggregator COc1ccc(CCNC(=O)c2cc3cc(Cl)ccc3nc2N)cc1OC 95570323 SDJVLESBTRRWII-UHFFFAOYSA-N 385.851 3.460 0 3 GGAF CNC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758623 DJTDWMHSGQOPDV-GOSISDBHSA-N 399.466 3.411 0 1 GGAF CC1(C)OC(=O)C(Oc2cccc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1 841674 NSOLEUGGZJTHNS-UHFFFAOYSA-N 376.405 3.355 0 1 GGAF CC[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1 101161473 XNPQHVAEYPMNED-LBPRGKRZSA-N 399.472 3.058 0 1 GGAF CC(C)c1cc(C(=O)N2Cc3cccc(OCCN(C)C)c3C2)c(O)cc1O 58651203 IVIKKSNFTPZPFF-UHFFFAOYSA-N 384.476 3.318 0 1 GGAF O[C@@H](CCN1CCN(c2ccc(F)cc2)CC1)COc1ccc(Cl)cc1 29482341 NJQXYNMDTIVKQQ-IBGZPJMESA-N 378.875 3.431 0 1 GGAF CNC(=O)Nc1ccc(-c2nc(N3C[C@H]4CC[C@H](C3)O4)c3sccc3n2)cc1 101306750 ITYGQBOCBCGBAV-HUUCEWRRSA-N 395.488 3.477 0 1 GGAF Fc1ccc(CNC[C@@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)cc1 2356302509 XFUOOGTYHUKKLU-GOSISDBHSA-N 395.434 3.149 0 1 GGAF O=C1Nc2ccccc2CN1C1CCN(C[C@H]2COc3ccccc3O2)CC1 27197615 CNAWWTZBCJOLBZ-SFHVURJKSA-N 379.460 3.339 0 1 GGAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3C[C@H](N(C)C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356656782 YZLCCXCWOSVNPY-LIUDVRQDSA-N 377.569 3.250 0 1 GGAF CN(C(=O)OCc1ccccc1)[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O 2356870521 XSJNDHVYENSVQB-MRXNPFEDSA-N 394.468 3.403 0 1 GGAF COC(=O)C1=C(OC)C(=O)O[C@H]1C1=C(Cl)c2ccc3ccccc3c2OC1 1911582134 HLORCSVJJJFPBF-KRWDZBQOSA-N 386.787 3.181 0 1 GGAF CCc1ccc(CC)c2c1CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 42797613 SARQODHPNUVLSS-QFIPXVFZSA-N 392.499 3.149 0 1 GGAF C[C@H](Nc1cncc(Cl)n1)c1cccc(NS(=O)(=O)c2cccnc2)c1 40380301 HAIKSKKIMIEFJY-LBPRGKRZSA-N 389.868 3.499 0 1 GGAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(O)CC3)cc2n1 221607976 JFCCAFNVHKWPOI-UHFFFAOYSA-N 379.435 3.097 0 1 GGAF N#Cc1ccc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)cc1 225567006 MNQJFDCHWAYPBV-UHFFFAOYSA-N 382.427 3.395 0 1 GGAF CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Oc3cccc(Cl)c3)c2c1 40874340 YUQZKANKSCMABT-UHFFFAOYSA-N 376.821 3.183 0 1 GGAF COc1cc(N2CCOCC2)cc2c1nnc1c(C)nc(-c3ccccc3C)n12 84713002 WTHIWWQIRPIFLQ-UHFFFAOYSA-N 389.459 3.407 0 1 GGAF O=C1CCCN1CCCn1c(-c2ccsc2)nc2c(NCC3CC3)ncnc21 82181574 CDXNNQAVTQETPQ-UHFFFAOYSA-N 396.520 3.389 0 1 GGAF NC1=N[C@@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)[C@@H]2C[C@@H]2O1 226073283 QRSZQDAJIBKJOD-MRAWALMUSA-N 392.793 3.025 0 1 GGAF C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)COCCC(N)=N1 96929126 WOZIINQXNVZSGZ-SFHVURJKSA-N 376.819 3.119 0 1 GGAF CN1CCC(N2CCN(C(=O)[C@@H](Cc3ccccc3)c3ccccc3)CC2)CC1 95553233 XMIXCBXUOXPATJ-DEOSSOPVSA-N 391.559 3.251 0 1 GGAF COc1ccccc1-c1cnn(C(C)(C)C(=O)NCc2ccc3c(c2)OCO3)c1 618008061 QHMGBXYPPNOYJO-UHFFFAOYSA-N 393.443 3.339 0 1 GGAF COC(=O)c1ccc(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1 473155177 PTEZTFFZVPXLDK-UHFFFAOYSA-N 395.436 3.019 0 1 GGAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc(N(C)C)n1 587752192 CYAPFGGPFSALQC-FVMDXXJSSA-N 379.277 3.376 0 1 GGAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(N)ccnc4[nH]3)CC2)cc1 586955233 NJPLZKXRGLJFRH-UHFFFAOYSA-N 399.520 3.232 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c3oc(=N)[nH]c3c2)N1 587744308 GWRDBQGFAVVDSF-ZIDLFYJRSA-N 392.228 3.471 0 1 GGAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2nc(Cl)c[nH]c-2n1 587000212 NPLJNVUYXWKEDN-UHFFFAOYSA-N 393.584 3.199 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2S(C)(=O)=O)N1 587848881 JDBBLJBKFBPZFT-UHNFBRDESA-N 390.318 3.305 0 1 GGAF CN=c1[nH]c(SC)ncc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587848485 WQSVNQJDEOONMQ-CLAHSXSESA-N 397.317 3.187 0 1 GGAF COC(=O)Nc1ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cn1 587244770 KFHPRAMERPRUJC-UHFFFAOYSA-N 391.181 3.264 0 1 GGAF COC(=O)Cn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577029 LNCIDODEYXWPPP-RXVVDRJESA-N 379.368 3.070 0 1 GGAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(O)nc(O)nc2[nH]1 587122639 VTUMNOJRYJDCTF-UHFFFAOYSA-N 377.282 3.186 0 1 GGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](Cn2ccnc2)(c2ccc(Cl)cc2)N1 962911046 ODLCENZQZMEMOS-PXNSSMCTSA-N 385.826 3.218 0 1 GGAF COc1ccc([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1OC(F)(F)F 963471050 MNSVZKNEHLCPAV-YVEFUNNKSA-N 397.349 3.296 0 1 GGAF CN1Cc2c(C3=C[C@H](CO)NCC3)[nH]c3nccc(c23)-c2cc(F)c(F)cc21 1772650262 VHLULLXOJUDLMG-GFCCVEGCSA-N 382.414 3.196 0 1 GGAF O=c1c2sc3nc4c(cc3c2nnn1-c1ccccc1Cl)[C@H](O)CCC4 1772590193 YPUAUTBUHWWFRW-CQSZACIVSA-N 384.848 3.414 0 1 GGAF CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O[C@@H]1CCCCO1 5858314 XMUNEJRPCVXODW-LSTHTHJFSA-N 388.416 3.480 0 1 GGAF CC(C)C(C/C=C1/C[C@@](CO)(COC(=O)c2cccc(O)c2)OC1=O)C(C)C 13704166 NTNNXALVKZRFEK-MDACWZTJSA-N 390.476 3.472 0 1 GGAF CS(=O)(=O)c1ccc(-c2[nH]c(S(C)(=O)=O)cc2-c2ccc(F)cc2)cc1 13743571 JNNCYWAGHKQGRL-UHFFFAOYSA-N 393.461 3.295 0 1 GGAF NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccc(F)c2)cc1 13762116 HMJIFVUIWWNNCU-UHFFFAOYSA-N 385.342 3.345 0 1 GGAF CCOC(=O)[C@@H]1C(C)=Nc2ncnn2[C@@H]1c1cc(Br)ccc1F 169690533 JFNDRVCCNPPIIJ-CHWSQXEVSA-N 381.205 3.054 0 1 GGAF COCOc1ccc(C(=O)Oc2cccc3c2OC(C)(C)O3)c(OCOC)c1 1861799 WRSDQBKUZWQEGS-UHFFFAOYSA-N 390.388 3.379 0 1 GGAF CN(Cc1ccccc1)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccccc1 2356298615 OKCHNOVMJSOFRD-VABKMULXSA-N 377.532 3.259 0 1 GGAF Cc1nnc(N2CCC(C(=O)NC(C)C)CC2)c2nn(-c3ccccc3)c(C)c12 8583750 VZTZISQLYAMRJJ-UHFFFAOYSA-N 392.507 3.173 0 1 GGAF O=C(NCCN1CCN([C@H]2CCCc3ccccc32)CC1)c1ccc(F)cc1 22443637 POZFPYZCVYTCQZ-QFIPXVFZSA-N 381.495 3.251 0 1 GGAF CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 29346125 RCTRGCIGJWEZKU-LEOXJPRUSA-N 398.547 3.439 0 1 GGAF CC(=O)OC(C)(C)[C@@H]1Oc2cc3oc(=O)ccc3cc2[C@H]1OC(=O)C=C(C)C 13461230 FOACRIIAKPYTRH-WOJBJXKFSA-N 386.400 3.446 0 1 GGAF biogenic COc1cc(OC)cc([C@H]2C3=C(Nc4cc5c(cc42)OCO5)C(C)(C)NC3=O)c1 40421441 RCBKYNAJISDUQU-GOSISDBHSA-N 394.427 3.152 0 1 GGAF O=C1CN=C2C3=C(N=C(c4ccccc4)N12)N(c1ccccc1)C(=O)N1CCC[C@@H]31 45260268 GVNDVULYKUKBJE-KRWDZBQOSA-N 397.438 3.004 0 1 GGAF CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 82196349 ATKSVDUQTAKNOT-UHFFFAOYSA-N 398.429 3.170 0 1 GGAF Cc1nc(N2C[C@H](C)O[C@H](C)C2)sc1C(=O)Nc1ccc2c(c1)OCO2 230563203 RANZUPJSBUXAJG-PHIMTYICSA-N 375.450 3.046 0 1 GGAF CC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C(=O)c1cccc(F)c1)C(C)C 95895432 USOTUYHXXLHJHR-BHDDXSALSA-N 398.478 3.052 0 1 GGAF CCC(=O)N(C)C[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)CC 95895286 KZTYLXSVSOKJSS-ZRCGQRJVSA-N 384.520 3.188 0 1 GGAF COc1ccc2c(c1)[nH]c1c(C(=O)c3c(C(=O)O)cccc3C(=O)O)nccc12 238751299 JLKXBLSQEHFHOO-UHFFFAOYSA-N 390.351 3.352 0 1 GGAF C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 253994913 GFXNSRGUUZHOAC-KCPJHIHWSA-N 399.447 3.227 0 3 GGAF COc1cc(O)c(Cl)c2c1C(=O)O[C@@H](C)CCCCC[C@@H](O)CC(=O)C2 31167250 OFCMNCCBXOEQGQ-NWDGAFQWSA-N 384.856 3.426 0 1 GGAF biogenic CN1CCC[C@@H]1COC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 299884012 SJHIUJMYRWXUPG-SJLPKXTDSA-N 399.516 3.052 0 1 GGAF OCCc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587118002 IEPPTEZSRYPHEO-UHFFFAOYSA-N 377.326 3.016 0 1 GGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(C)ccnc2[nH]1 586935914 JVDDBJRIUGAIJH-AWEZNQCLSA-N 376.507 3.039 0 1 GGAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nnnn1-c1ccccc1 587662013 WGDUCKCVWZBVOH-UHFFFAOYSA-N 384.374 3.168 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3c(c2)ncn3C)N1 587758546 QOJSMVTZQLLKDU-JDNHERCYSA-N 375.245 3.494 0 1 GGAF CC(C)(C)OC(=O)N(Cc1nc2cc3c(cc2[nH]1)OCCO3)C[C@@H]1CCCO1 587196807 CAMPFOHBWLZADM-ZDUSSCGKSA-N 389.452 3.250 0 1 GGAF CCOC(=O)[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CO1 586991431 NOVQUQPNHFQGCV-KRWDZBQOSA-N 375.380 3.156 0 1 GGAF CC(=O)Nc1cnccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575034 ACWVKNWFKIWFFE-RXVVDRJESA-N 376.368 3.449 0 1 GGAF CCCN=c1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 587758512 XVTSKBXRVAUOQH-QFYYESIMSA-N 379.277 3.246 0 1 GGAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@](C)(O)C(C)C)[nH]c2c1 586890612 RHMNRHYHGYJHRJ-LJQANCHMSA-N 389.477 3.236 0 1 GGAF CCOC(=O)c1c[nH]nc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587801506 HAEGSGYTVKYUJY-AYVTZFPOSA-N 382.233 3.112 0 1 GGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccc(OC)c(OC)c1C(=O)O 963583900 RSNMBHVPWQSLPF-JEOXALJRSA-N 387.432 3.043 0 1 GGAF CC[C@H](C)n1nccc1[C@@H]1N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962624350 BXIZWEZRCSQPGT-DRZCJDIDSA-N 383.370 3.441 0 1 GGAF N[C@@H]1Cc2ccccc2[C@@]12N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963175704 MITIIIIUHUVQSZ-JZXOWHBKSA-N 396.796 3.085 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)NCCc2cc3cccc(OC)c3nc21 963036867 OZVBFZYOIWDLPP-JOCHJYFZSA-N 384.476 3.153 0 1 GGAF CO[C@H]1CC[C@@]2(Cc3ccc(-c4cncnc4)cc3[C@@]23COC(=N)N3)C[C@@H]1C 1772592951 LNZBKHMXPFCMOB-GLYDZZHWSA-N 378.476 3.271 0 1 GGAF COc1cc2c(c(OC)c1OC)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2 13360933 AYHXZXWGHZAPJZ-UHFFFAOYSA-N 382.436 3.393 0 1 GGAF COc1ccccc1-c1ccc(C[C@H](NC(=O)Cc2ccccn2)C(=O)O)cc1 13445258 QXSBMRQZQBRKBA-FQEVSTJZSA-N 390.439 3.112 0 1 GGAF COc1cc([C@@H]2NC(=S)N=C(C)[C@H]2C(=O)OC(C)C)ccc1OC(C)C 169688816 MGDCUCOGFRYHED-SJORKVTESA-N 378.494 3.440 0 1 GGAF O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)C(=O)c1ccco1 164759618 GQNBLVVETPOAHY-UHFFFAOYSA-N 398.382 3.429 0 1 GGAF Cc1cc(C(=O)NC2CCOCC2)n(Cc2csc(N3CCCCC3)n2)c1 1857560008 BJASGCFUZJLZIK-UHFFFAOYSA-N 388.537 3.200 0 1 GGAF CS(=O)(=O)c1cccc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)cc4)c3c2)c1 1857753090 DXFPBPVKCXWOMF-UHFFFAOYSA-N 391.452 3.399 0 1 GGAF COc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCCC2)S3)c1 3008045 VGYVOOPZUOLXFD-NRFANRHFSA-N 397.500 3.091 0 1 GGAF O=C1N[C@H](C(=O)O)Cc2ccc(cc2)OCCCCOc2ccc(Cl)c1c2 103258324 MVOPMYAHCQTVSN-SFHVURJKSA-N 389.835 3.317 0 1 GGAF CCCC(=O)N1CCC[C@H](c2cc(C(=O)Nc3ccc4c(c3)OCO4)no2)C1 61929865 IXSQCHAXAZMBOV-ZDUSSCGKSA-N 385.420 3.162 0 3 GGAF COc1cc([C@H]2Oc3ccc4ccc(=O)oc4c3O[C@H]2OC)cc(OC)c1O 2356588726 DXBMMMITVSFLLA-UYAOXDASSA-N 386.356 3.001 0 1 GGAF CCc1cnc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccco2)s1 82165740 VDDCIPRDFLIXKX-UHFFFAOYSA-N 383.477 3.091 0 1 GGAF O=C(c1ccc(F)cc1)N(CC1CCC1)C[C@H]1N[C@@H](CO)[C@H]1c1ccccc1 95895841 DMHXWWBXSKPLMN-FSSWDIPSSA-N 382.479 3.185 0 1 GGAF CCS(=O)(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1cccc(Cl)c1 95562470 YATYGNBNNBRVQP-KRWDZBQOSA-N 378.881 3.450 0 1 GGAF CC[C@@H](c1nc2ccccc2[nH]1)N(C(=O)C1=NNC(=O)CC1)c1ccccc1 95569081 OKCVCYDPKJIDPJ-SFHVURJKSA-N 375.432 3.313 0 3 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCC(=O)N1CCCC1)O2 587394845 JNUQYOMRVNPOCS-HXUWFJFHSA-N 380.444 3.285 0 1 GGAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587079181 HJPCQVBUIJFBTC-GFCCVEGCSA-N 381.823 3.271 0 1 GGAF COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CN(C)C)cc1OC 587651038 ZWEYGVWRKCSPDQ-UHFFFAOYSA-N 388.489 3.317 0 1 GGAF C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc2c(O)nc(O)nc2n1 587562530 DTYICKAGKOACKQ-JTQLQIEISA-N 391.383 3.171 0 1 GGAF CCOC(=O)[C@]1(c2ccc[nH]2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587789387 DAIVYQYSCHVFGG-BTDLBPIBSA-N 381.245 3.257 0 1 GGAF NC1=NS(=O)(=O)N(Cc2ccc(Cl)cc2)c2nc(C3CCCCC3)[nH]c21 114093337 IHVATRJQIOLSMQ-UHFFFAOYSA-N 393.900 3.081 0 1 GGAF Cc1cc2c(cc1C)C(Cl)=C(COC[C@H](O)CN1CCOCC1)CCC2 1772598828 HDBXCIIDXYGGSK-LJQANCHMSA-N 379.928 3.299 0 1 GGAF CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)OC)ccc3C)c2c1C 14974267 KCFHGYIYPXLYLA-UHFFFAOYSA-N 396.451 3.408 0 1 GGAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2sc(N3CCOCC3)nc12 208127612 YNEAXIVBNXCUQS-UHFFFAOYSA-N 392.868 3.038 0 1 GGAF O=S(=O)(c1cccs1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 1250906791 MYIJRXCEHNYVDW-DODZYUBVSA-N 378.563 3.332 0 1 GGAF CC[C@H](C)n1c(SCC(=O)Nc2cc(C)n[nH]2)nc2ccsc2c1=O 4659238 JPJSTXGCVSMOFW-JTQLQIEISA-N 377.495 3.191 0 1 GGAF O=C(COC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2)Nc1ccccc1OC(F)F 101663355 VTARJFYRXDMCGG-BHRWCRGXSA-N 395.402 3.101 0 1 GGAF COc1ccc(-c2cc(-c3ccc(O)cc3)nc(N3CCOCC3)n2)cc1OC 28530718 WCRJWPRQQVEKLN-UHFFFAOYSA-N 393.443 3.370 0 1 GGAF COc1ccc(-c2cc3nc(NCCCN(C)C)n(C)c(=O)c3s2)c(C)c1 61905390 SZZCLOCZGHZWTA-UHFFFAOYSA-N 386.521 3.343 0 3 GGAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 2356509054 AIJGDFIPPIWACF-YQVWRLOYSA-N 397.485 3.487 0 1 GGAF CC1(C)CC[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)[C@@H]3C(=C[C@H](O)[C@H]12)CO[C@H]3O 2356746385 RPWLIMQSJINJKC-GYMGFVCNSA-N 398.499 3.320 0 1 GGAF COc1ccc(-n2ccc3c(sc4nccc(NC[C@@H](C)O)c43)c2=O)cc1 73258856 LOXWKLFMYXFLCK-GFCCVEGCSA-N 381.457 3.402 0 1 GGAF NCC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(Cl)cc2)C1 72110182 GYYCMJYHMMFFNH-UHFFFAOYSA-N 399.857 3.387 0 1 GGAF CCS(=O)(=O)c1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 146324842 CRIJGBUXORSEFD-UHFFFAOYSA-N 386.473 3.116 0 1 GGAF COc1cc(C)c(CNC[C@@H](NC(=O)c2cc(C)on2)c2ccncc2)cc1C 653847518 NXEVAQFSYPEADX-HXUWFJFHSA-N 394.475 3.264 0 1 GGAF CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 587381097 FOPOEAWPHFKHMM-CQSZACIVSA-N 381.297 3.432 0 1 GGAF O=C(O)c1cccnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656287 IRUUTXWSWDCRBJ-UHFFFAOYSA-N 379.322 3.424 0 1 GGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586916592 MSBFTJGJAUNSQR-ZSEKCTLFSA-N 377.400 3.110 0 1 GGAF CCN(CC)c1ccc(-c2nn(C(=O)NC3CC3)c(=O)c3ccccc23)c(O)c1 587666001 WQXYUNMTPJVHKA-UHFFFAOYSA-N 392.459 3.335 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OC(=O)c3cnn(C)c3)cc1)O2 587390022 FGTLUYYQTNHNIN-QFIPXVFZSA-N 391.427 3.411 0 1 GGAF Cc1cc(C)n(Cn2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n2)n1 587875385 KFMMGXPYYSWDMF-UHFFFAOYSA-N 378.367 2.999 0 1 GGAF N=c1[nH]c2nc(/C=C\c3cccc(I)c3)nc-2c(Cl)[nH]1 587185189 YYQSTODXWKYTEF-PLNGDYQASA-N 397.607 3.145 0 1 GGAF CCOC(=O)[C@@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587769 HPVGKVBNCUOHLJ-UWJYYQICSA-N 379.368 3.141 0 1 GGAF COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587587824 OMBHIKMTDBRNHN-YLJYHZDGSA-N 377.352 3.277 0 1 GGAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587201413 MAURUWVTAQTXSW-UHFFFAOYSA-N 397.497 3.391 0 1 GGAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)OC)ncc12 1772621021 NWZSEQGEPQNCQP-INIZCTEOSA-N 387.415 3.393 0 1 GGAF CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1O[C@@H]1CCCCO1 5857774 XMUNEJRPCVXODW-AHRSYUTCSA-N 388.416 3.480 0 1 GGAF CCc1c(C(=O)C(N)=O)c2c(SCC(=O)O)cccc2n1Cc1ccccc1 13445987 JGHGNOSSDJDNPN-UHFFFAOYSA-N 396.468 3.097 0 1 GGAF O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1ccc(Cl)c(Cl)c1 13612302 DLLTZXSYWRYJLO-UHFFFAOYSA-N 390.182 3.144 0 1 GGAF C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 15895075 AGWNTSAXKRGTBH-XYYNDNLRSA-N 378.472 3.307 0 1 GGAF CC1=NC(=O)N[C@H](c2ccc(OCCn3ccc4cccnc43)cc2)[C@@H]1C(=O)O 169720023 KSMZYXUDMFKJJQ-QZTJIDSGSA-N 392.415 3.041 0 1 GGAF CN(C)CCCOc1cccc(CN2CCN(C(=O)Nc3ccccc3)CC2)c1 200260792 ZTUKEGLEIFJGRP-UHFFFAOYSA-N 396.535 3.367 0 1 GGAF CC=CC=CCC[C@]12OCC[C@@H]3OC[C@@](OC(=O)c4ccccc4N)(CO1)[C@H]32 2356326169 VBMCKMSEFYEVBY-MPJJRAAHSA-N 385.460 3.239 0 1 GGAF COCCn1cc(C(=O)N2CCC[C@@H](C)C2)c2c3ccccc3n(C)c2c1=O 4057210 HCOZBAJIVJNONH-OAHLLOKOSA-N 381.476 3.012 0 3 GGAF COc1ccc(CCNC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)c(OC)c1 6772317 FDHSEPBBQRFRDA-UHFFFAOYSA-N 387.476 3.185 0 1 GGAF CC(C)CCNC(=O)c1cnn(C)c1C1CCN(C(=O)OC(C)(C)C)CC1 7001445 NHIPIWQLRTXARH-UHFFFAOYSA-N 378.517 3.311 0 1 GGAF CCN(CC)CCN1C(=O)[C@@H](O)N=C(c2ccccc2)c2cc(Cl)ccc21 26150292 ZWSGOLFCUGUBGZ-HXUWFJFHSA-N 385.895 3.184 0 1 GGAF CN1c2ccccc2C(c2ccccc2F)=NC[C@H]1CNC(=O)c1cccnc1 27523079 FVEYZXPAKSZZQE-KRWDZBQOSA-N 388.446 3.307 0 1 GGAF Cn1c(=O)c(Nc2ccc(C(=O)Nc3nccs3)cc2)nc2ccccc21 28525894 ORAFPHVRRVYRPL-UHFFFAOYSA-N 377.429 3.386 0 1 GGAF CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccc(Cl)cc2)=N1 27980598 SKORVOHLSVUVBH-GDBMZVCRSA-N 394.814 3.296 0 1 GGAF Cc1cccnc1N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1 27706763 UAMYAAMXKHZTHX-UHFFFAOYSA-N 398.551 3.002 0 1 GGAF O=C1[C@H]2C[C@@H](CN2C(=O)NCc2ccccc2)Oc2ccccc2N1CC1CC1 2356470071 MFGWZODBIMRDFH-AZUAARDMSA-N 391.471 3.175 0 1 GGAF O=C(C[C@@H]1CC(=O)N2CCCCC[C@@H]2[C@]1(O)c1ccccc1)N1CCCCCC1 2356768393 NQXMOUJMVXDKFM-LGVFNWMJSA-N 398.547 3.458 0 1 GGAF CSc1ncc2c(n1)CCN(c1cccc(C(=O)Nc3ccccc3)n1)C2 215909466 PVDXQMQSRQZVAO-UHFFFAOYSA-N 377.473 3.409 0 1 GGAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@H]1CC[C@H](O)CC1 1911585321 CAORZHIUFAMWOV-XYPYZODXSA-N 394.357 3.091 0 1 GGAF Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3-c3ccccc3)ncc1CC2 49072542 HHVNOYWPFOOKTR-UHFFFAOYSA-N 396.454 3.485 0 1 GGAF CN1CCCN(Cc2ccc(-c3ccc(N4CCN(C)CC4)cc3)cc2)CC1 220916783 RUMNLISNJUOLGY-UHFFFAOYSA-N 378.564 3.243 0 1 GGAF COCc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc(N)n1 224565180 OXVYCYSTQBYTIO-UHFFFAOYSA-N 396.426 3.443 0 1 GGAF COc1cc(/C=C(/Cc2cc(OC)c(OC)c(OC)c2)[N+](=O)[O-])ccc1O 84669346 DOVXOKLVBGCZCN-AUWJEWJLSA-N 375.377 3.287 0 1 GGAF CC[C@@H](NC(=O)c1cc(C(=O)NCC2CC2)n2c1COCC2)c1ccccc1 146093634 DCTYKWRBKRZLFX-GOSISDBHSA-N 381.476 3.039 0 1 GGAF CC[C@@H](NC(=O)c1cc(C(=O)NCC(C)C)n2c1COCC2)c1ccccc1 146102108 TUIMHAYTDQOQQK-GOSISDBHSA-N 383.492 3.285 0 1 GGAF CCCCCC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 253638063 NTMSESUVSZGDEE-LOZSCRFFSA-N 383.488 3.006 0 1 GGAF CCOc1ccccc1NC(=O)c1c(NCCO)cc(-c2ccccc2)oc1=O 473154357 GOGDOQBUGJMUGS-UHFFFAOYSA-N 394.427 3.362 0 1 GGAF CC(C)Oc1ccc(-c2nnc(NCCNCCC(=O)O)s2)cc1Cl 653708067 YDTDDPGBPHTWEA-UHFFFAOYSA-N 384.889 3.122 0 1 GGAF CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(Br)cc3F)[nH]c12 587142857 ODKDOOYGXVHVTD-UHFFFAOYSA-N 398.257 3.382 0 1 GGAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587203186 JISQEWWLJNBJLF-SFHVURJKSA-N 380.448 3.434 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1nc[nH]n1)c1cccs1 587609023 AXUWVNVRDJQEEC-JXFKEZNVSA-N 391.408 3.477 0 1 GGAF N=c1nc(-c2ccccc2Cl)c(-c2nc3c(S)nc(S)nc3[nH]2)c[nH]1 587060611 KGHSKLLSBOACIM-UHFFFAOYSA-N 387.881 3.120 0 1 GGAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1 587936834 MEHBKJOLIVCHTL-LRTDBIEQSA-N 392.459 3.164 0 1 GGAF CCOC(=O)Cn1nc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1Cl 587378839 DSTJKFIGNBSZRK-CQSZACIVSA-N 377.828 3.005 0 1 GGAF Fc1c(F)c(F)c(/C=C\c2nc3ccc(-n4cnnn4)cc3[nH]2)c(F)c1F 587134818 PBKAOTKORQEZIK-RQOWECAXSA-N 378.264 3.405 0 1 GGAF CC1=C(c2ccc3nc([C@H](O)[C@H](C)c4ccc(C)cc4)[nH]c3c2)NNC(=O)C1 586893097 UQIDNMJBQRLZKN-SPLOXXLWSA-N 376.460 3.464 0 1 GGAF COC1=COC(C(=O)O)=C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351665 JCKJFKYYEBMKOW-RXVVDRJESA-N 398.342 3.116 0 1 GGAF CCOC(=O)c1n[nH]cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587795727 OJEUZQQWVUKLEN-RMLUDKJBSA-N 382.233 3.112 0 1 GGAF COc1ccc2c(c1OC)CN1CCc3cc(OC)c(OC)c4c3[C@@H]1[C@@]2(C)CO4 169456219 IHQZGVHNVCMUMQ-PKTZIBPZSA-N 397.471 3.484 0 1 GGAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H](C)c1ccncn1 206070575 BPRSGQHMNJDRQL-GFCCVEGCSA-N 399.458 3.182 0 1 GGAF CC=Cc1cc2ccccc2c2c(C(=O)OC)c(C(=O)OC)c(C(=O)OC)n12 1857622782 LHCSKFXDVFVWSQ-UHFFFAOYSA-N 381.384 3.485 0 1 GGAF CCCCN=c1[nH]c(=N)[nH]c2c1CN(Cc1c(Cl)cccc1Cl)CC2 1857648205 YVQDAUPAVIZEHG-UHFFFAOYSA-N 380.323 3.388 0 1 GGAF Cc1cc(C)c(S(=O)(=O)N[C@@H](/C=C(\Br)CO)C(C)C)c(C)c1 1864422 URTQCNHSZIOURW-OWTLUSIOSA-N 390.343 3.186 0 1 GGAF COc1ccc(CN2CC[C@H](CC(=O)O)[C@@H](Cc3nc4cnccc4[nH]3)C2)cc1 2356315411 XGCTUJOTOBVSKI-SJORKVTESA-N 394.475 3.122 0 1 GGAF O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@@H](C(F)F)C2 114841568 UWTKUNBQKQJYNL-ZVWUFJHRSA-N 387.839 3.395 0 1 GGAF CCn1c(SCC(=O)Nc2cc(C)on2)nc2c3ccccc3nc-2c1O 101880373 XMAHSXCINMCDHA-UHFFFAOYSA-N 383.433 3.289 0 1 GGAF CC(C)(C)CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NCc2ccccn2)c1=O 2356305553 NMRSWVSJNWIVEI-SJORKVTESA-N 394.519 3.237 0 1 GGAF O=C(c1ccco1)N1CCC2(CC1)c1ccccc1[C@@H](N1CC=CCC1)[C@@H]2O 20324557 IAOGDWQSBQZTBK-RTWAWAEBSA-N 378.472 3.131 0 1 GGAF C[C@@]1(CC=Cc2ccccc2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@@H]1O 2356604868 JLWBRRAWPRZLAK-REWPJTCUSA-N 394.423 3.149 0 1 GGAF CCCc1c(OCc2cccc(NS(C)(=O)=O)c2)ccc(C(C)=O)c1O 27982442 XXHFNGPKTXLLNX-UHFFFAOYSA-N 377.462 3.498 0 1 GGAF CC(=O)OC[C@]12C(CO)=CCC[C@@H]1[C@](C)(CCc1ccoc1)[C@H](C)C[C@H]2O 2356780844 GQPHMJWVLFTIQB-KQSFDKENSA-N 376.493 3.497 0 1 GGAF CCCCC[C@H](O)/C=C/C=C/C=C/[C@@H](O)C/C=C\CCCC(=O)NCCO 38159220 PYFSFMSQYCMIGN-OPRIQTJCSA-N 379.541 3.182 0 1 GGAF O=C(NCCc1c[nH]c2ccccc12)[C@H]1CS[C@@H]2c3ccccc3C(=O)N12 2123002 FSMJLDBTPRGNTG-WIYYLYMNSA-N 377.469 3.097 0 1 GGAF biogenic CC[C@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)NCc1ccc(F)cc1 5412846 ILYPBVFQWRRVQR-ROUUACIJSA-N 383.467 3.416 0 1 GGAF biogenic O=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-c2cnccn2)C1 219401516 HWIQIOIKXDRQPK-UHFFFAOYSA-N 386.242 3.439 0 1 GGAF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)NCCc1ccccc1 73196104 NUCOWQPFXTVMOO-HXUWFJFHSA-N 377.444 3.020 0 1 GGAF CC(=O)NCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCC3CC3)ncnc21 82185869 PWCHMGIFLXXNFJ-OAHLLOKOSA-N 392.507 3.131 0 1 GGAF N[C@H]1CCc2ccc(CNS(=O)(=O)CCCF)cc2[C@H]1Cc1ccccc1 142929282 AUDHCZPXIAUFBH-RTWAWAEBSA-N 390.524 3.065 0 1 GGAF C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@]12Cc1c(cc3c(c1O)C(=O)NC3=O)O2 238731337 MOKUWDUXHMMMFK-BEQKYCEESA-N 399.487 3.183 0 1 GGAF CCC(=O)N1[C@H](CN(C)C(C)=O)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO 95894941 URWWHKBLCURBOC-FUPPJEDESA-N 398.478 3.036 0 1 GGAF CNC(=O)[C@H]1CCCN(C(=O)[C@H](C)c2ccc(C(=O)c3cccs3)cc2)C1 621476449 ZFTCHLMKXOFDDE-PBHICJAKSA-N 384.501 3.067 0 1 GGAF CN1CCN(c2ccc3nc(Nc4ccc(C(F)(F)F)cn4)[nH]c3c2)CC1 299833636 VJLOXBZEJMSLRL-UHFFFAOYSA-N 376.386 3.472 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)C(=O)O 587603849 PXOFRPOURVLHCC-XMSQKQJNSA-N 376.364 3.420 0 1 GGAF CCS(=O)(=O)c1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587174080 LQTGJTFCHOWKJG-IBGZPJMESA-N 388.420 3.124 0 1 GGAF CN(C)/C=C\[C@]1(c2ccn(C)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582576 PZBPBBULCGTGEG-HTQRINEPSA-N 391.427 3.058 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn3c(=O)ccnc23)N1 587790159 HZRLPZKASHSEEF-BMLIUANNSA-N 388.240 3.220 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](S(C)(=O)=O)C2)N1 587850840 SPAGQYQKPJDNBA-NSODJVPESA-N 390.318 3.305 0 1 GGAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(C(=O)O)cc(F)cc2[nH]1 587039100 PKCYKAYXTDRNEL-UHFFFAOYSA-N 379.373 3.266 0 1 GGAF COC(=O)c1csc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587613434 OUOKOFKCLMWSBI-RHSMWYFYSA-N 383.381 3.338 0 1 GGAF CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587653081 POTMJLHPEVHAJM-AWEZNQCLSA-N 379.844 3.239 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1NC(=O)CCC(=O)O)O2 587385379 CLLMUAPICGYFNV-NRFANRHFSA-N 382.416 3.261 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)nc1N1CCOCC1)[C@@H](C2)C3=O 587421464 MMELLWKDBAECTR-LIRRHRJNSA-N 386.835 3.069 0 1 GGAF O=C(O)c1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1F 962975866 ZFKXFBZLSLXHTF-DOMZBBRYSA-N 385.725 3.144 0 1 GGAF Nc1ccccc1[C@@]1(c2ccncc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963237268 XGZDASSJKKEOKR-ISKFKSNPSA-N 396.450 3.103 0 1 GGAF CC[C@@]1(c2c[nH]c(C(=O)N3CCOCC3)c2)c2ccc(F)cc2C[C@H]2CCCN21 963108486 PCMNQSHPLGWVJM-AUSIDOKSSA-N 397.494 3.300 0 1 GGAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N[C@@H]2CCc3ccccc32)nc1 1772626054 POZXGFPYKBQWRR-GOSISDBHSA-N 397.504 3.332 0 1 GGAF COc1cccc2c1CCC[C@H]2NC(=O)CCN1CCN(c2ccccc2)CC1 13757365 YQVQIDUJLONEHJ-JOCHJYFZSA-N 393.531 3.401 0 1 GGAF N=C(NCCCc1c[nH]cn1)NCC[C@H](c1ccncc1)c1ccc(F)cc1 13816230 DMFRLJUTFJKADU-FQEVSTJZSA-N 380.471 3.213 0 1 GGAF NCc1cc(Oc2cccc(C(=O)NCc3ccc4ccccc4n3)c2)ncn1 1857596975 XULZQJCVJPIEDU-UHFFFAOYSA-N 385.427 3.206 0 1 GGAF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC 4051596 UQYSELMHEXNYNV-OPMXSGTGSA-N 396.487 3.310 0 1 GGAF CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4208868 PWRDJVUJJWLJRD-RDJZCZTQSA-N 376.840 3.160 0 1 GGAF COc1cc(C(=O)N(C)C)ccc1Nc1cc2[nH]c(-c3cnn(C)c3)cc2cn1 103250568 FQJLSYGJDFPYEH-UHFFFAOYSA-N 390.447 3.417 0 1 GGAF Cc1ccc(C(=O)N(C)C)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1 28950543 QDJWUVVMRMGMNL-UHFFFAOYSA-N 390.447 3.073 0 1 GGAF CC(=O)O[C@@H]1CC=C(C)C[C@H]2O[C@@H]([C@H]3[C@H](C(C)C)[C@@H](O)C=C(C)[C@@H]32)[C@]1(C)O 2356405054 FNKJUTFXJWBXIE-ZILADGCBSA-N 378.509 3.002 0 1 GGAF CC(=O)O[C@@H]1[C@H](O)[C@@H]2[C@H](C)c3ccoc3C[C@@H]2[C@]2(C)CCCC(C)(C)[C@]12O 2356614007 DVJYNSFOWSNODP-SBWJXFBSSA-N 376.493 3.425 0 1 GGAF COc1ccccc1-n1c(-c2ccc(S(N)(=O)=O)cc2)nc2ccccc21 28526268 XXHASIAFOCJRSL-UHFFFAOYSA-N 379.441 3.349 0 1 GGAF COc1ccc([C@H]2[C@@H](C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1OC 66259193 QCECQIBLQLWIIR-CWTRNNRKSA-N 387.432 3.454 0 1 GGAF CCCc1c(Cn2ccnc2-c2cccc(F)n2)nc(C)n2nc(CC)nc12 34430625 SBAWYMUGSDAFIP-UHFFFAOYSA-N 379.443 3.394 0 1 GGAF CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2NC(=O)[C@@H]1C 1911581728 YEMJIKMBTXBKRR-JTQLQIEISA-N 377.395 3.397 0 1 GGAF Cc1nc(NC(=O)N2CCC[C@@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C)c1 96272380 VNGAUNCZCLFPCA-CYBMUJFWSA-N 387.509 3.293 0 1 GGAF CC(=O)O[C@@H]1[C@H](C)C[C@H]2[C@@H]3[C@@H]4O[C@@H](C[C@@]5(C)C[C@@H](C[C@]4(C)OC[C@@H]2C)O5)[C@@H]31 146983770 CJRLRYVTBMXDST-REUPZPRKSA-N 378.509 3.340 0 1 GGAF Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(C(C)C)n1 140044846 QRCWOJJJPDWHMY-NSHDSACASA-N 379.511 3.180 0 1 GGAF C[C@@H]1[C@@H](NC(=O)C[C@@H](C(=O)N2CCc3ccccc32)n2ccnc2)CCC[C@H]1C 248151086 JYEXOCHFKVOWAH-IGGJEDBVSA-N 394.519 3.345 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(CC)cc1N 587866194 XJRNFPFEVZDLMI-UHFFFAOYSA-N 393.369 3.455 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(I)s1)O2 587387995 YHKWSMHFQPPQNV-SNVBAGLBSA-N 386.214 3.345 0 1 GGAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CS(C)(=O)=O 587408350 FSABLFCKDPVLMP-HXUWFJFHSA-N 389.473 3.011 0 1 GGAF Cc1nccc2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12 587170898 URBVBJZWBONILP-LJQANCHMSA-N 396.447 3.473 0 1 GGAF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1ccc2c(O)nc(O)nc2n1 587556434 WUOOITAGUFTXGK-HNNXBMFYSA-N 382.420 3.245 0 1 GGAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587443222 PPUVXEKWCUBPSI-NYHFZMIOSA-N 398.411 3.220 0 1 GGAF O=C(NCc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1cccc(C(F)(F)F)c1 587111639 NNGNFPYSKAQYMI-UHFFFAOYSA-N 389.259 3.272 0 1 GGAF Cc1c(F)ccc2c1[C@]1(C[C@H]3COC[C@@H](C1)N3C(=O)OC(C)(C)C)NCC2 962300848 QSBVTZXSVFWNJB-JIPZTSHUSA-N 376.472 3.273 0 1 GGAF CN(CCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 12725751 FDKNNHRARHLZQZ-LJQANCHMSA-N 376.497 3.153 0 3 GGAF O=c1oc(NCCc2ccccc2I)nc2ccccc12 13779175 GWCCLNKNQSLLPH-UHFFFAOYSA-N 392.196 3.447 0 1 GGAF COc1cc(C(=O)O)cc(-c2ccc(Cc3c[nH]c4[nH]c(=N)nc(O)c34)cc2)c1 1857607050 CPEVDWTZEMTIHE-UHFFFAOYSA-N 390.399 3.041 0 1 GGAF CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1nc(-c2ccccc2)cs1 1857752416 OISYPUFEPZOYBB-INIZCTEOSA-N 398.488 3.004 0 1 GGAF CCOC(=O)c1ncn2c1Cc1cnc(C)nc1-c1cc(Br)ccc1-2 1486037 GOISDWFECBXUAU-UHFFFAOYSA-N 399.248 3.481 0 1 GGAF COc1cc(NCc2ccc3nc(OC)c(OC)nc3c2)cc(OC)c1OC 1642270 YRVSELIUXNDJCD-UHFFFAOYSA-N 385.420 3.285 0 1 GGAF O=C(O)c1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)c1 4746114 RBXLHQMTNGJYIQ-UHFFFAOYSA-N 381.409 3.470 0 3 GGAF C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@@H]2[C@@H]1CC[C@@H]2CCC[C@@H]2N1 2356431863 HODLMSIRHTYEFG-SSALRLENSA-N 378.516 3.081 0 1 GGAF Cc1ccc2cc3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)oc3nc2c1 4906725 GBSDIWAQBTYGNV-UHFFFAOYSA-N 389.411 3.481 0 1 GGAF C[C@H]1CCC[C@@H](NC(=O)COC(=O)Cc2ccc(Br)cc2)[C@@H]1C 4913355 NSCXYLNROUFNFF-WOSRLPQWSA-N 382.298 3.476 0 1 GGAF C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102269029 RNUJSDSRCZPJRV-ZMLRMANQSA-N 398.793 3.220 0 3 GGAF COc1cccc(-c2nnn(C)c2C(=O)N(C)c2ccc(C(F)(F)F)nc2)c1 103297794 CJPMRCFYMKALED-UHFFFAOYSA-N 391.353 3.181 0 1 GGAF Cc1cc([C@H](C)Nc2ccc(F)cc2)c2nc(N3CCOCC3)cc(=O)n2c1 114827464 KJQNZPUIHHINMX-HNNXBMFYSA-N 382.439 3.152 0 1 GGAF C[C@H]([C@H](O)c1ccc2nc(O)oc2c1)N1CCC(O)(c2ccc(F)cc2)CC1 28952065 SBUUMDUQHYKBLC-YJYMSZOUSA-N 386.423 3.078 0 1 GGAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@@H]12)CN(CC(=O)O)C3=O 2356558612 GIIJGUFCRPQJIF-FFNNHMBQSA-N 389.492 3.317 0 1 GGAF CCOC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CC2)CC1=O 28098138 OMQFDHLDCXPTBM-UMCMBGNQSA-N 397.515 3.132 0 1 GGAF CCNC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn(C)c(=O)cc2OC)c1 217715554 OOWKSWYUEJOQPM-UHFFFAOYSA-N 394.431 3.390 0 1 GGAF CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1coc2ccccc2c1=O 71405082 MCMMVPIYFQHJDT-LJQANCHMSA-N 390.395 3.121 0 1 GGAF Cc1nn(C)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2 98209030 ASQDMAQHZGURLM-GFCCVEGCSA-N 395.438 3.237 0 1 GGAF in-vitro CCOC(=O)[C@]1(c2cc(F)c(F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587382967 WAQDACWRFVQWNY-LJQANCHMSA-N 379.334 3.418 0 1 GGAF COC(=O)C(=O)C[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592744 KAORUHTVQFPGPS-JTSKRJEESA-N 398.411 3.271 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)nc2)N1 587850416 PXPKWAGUSGCWSR-XXFAHNHDSA-N 399.285 3.010 0 1 GGAF C[C@]12Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@@]1(O)CCC2=O 586991313 MPLWHDCSJNJNCV-RPWUZVMVSA-N 385.419 3.351 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(F)cc(F)c12 587567041 BNLIUBRZCMOURY-DYESRHJHSA-N 395.317 3.480 0 1 GGAF Cn1ccnc1[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577193 MPLCDUOIHTZYIK-XXBNENTESA-N 399.406 3.426 0 1 GGAF CCCc1c(O)ccc2c1O[C@H](C(=O)c1ccc(N3CCOCC3)cc1)CC2=O 587475436 OGXLQTBILHVUHX-NRFANRHFSA-N 395.455 3.398 0 1 GGAF COC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962904386 VQMZYKMNLAUZMB-WMZOPIPTSA-N 383.341 3.333 0 1 GGAF COC(=O)c1cc2c([C@@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)ccc(OC)c2o1 962891401 ARBFIZKMFSRGKR-MAUKXSAKSA-N 399.374 3.055 0 1 GGAF O=C(O)CCC[C@]1(c2cccs2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963231506 MTXGPZBABUPZSA-UTKZUKDTSA-N 396.468 3.394 0 1 GGAF CCCNC(=O)c1onc(CSc2cccc(OC)c2)c1C(=O)NCCC 13660814 BUWAYMSRXIGLRE-UHFFFAOYSA-N 391.493 3.255 0 3 GGAF O=c1oc(-c2ccccc2)nn1CCCCN1CCN(C2CCCCC2)CC1 1857552066 XSLQGRLIVLDGLY-UHFFFAOYSA-N 384.524 3.234 0 1 GGAF CCCCN1C=N[C@H]2C(=O)NC(Cc3ccc(OCc4ccccc4)cc3)=N[C@@H]21 1857554082 BVPKCYPAUDDAOW-FGZHOGPDSA-N 390.487 3.175 0 1 GGAF COc1ccccc1N1CCN(CCCN2CCCc3ncsc3C2)CC1 1857573510 JTOJOXGQNGJXCT-UHFFFAOYSA-N 386.565 3.112 0 1 GGAF COc1cccc(C(=O)Nc2nc3ccc(C)cn3c2C(=O)NCC(C)C)c1 1857577130 CWGQRQGFIAPIJA-UHFFFAOYSA-N 380.448 3.289 0 1 GGAF COc1ccccc1N1CCN(CCC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 3781326 BUNRSIAHLPGQRT-UHFFFAOYSA-N 397.563 3.292 0 1 GGAF CN1CC[C@]23c4c5ccc(OCc6ccccc6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 4214989 RDJGWRFTDZZXSM-RNWLQCGYSA-N 375.468 3.072 0 1 GGAF in-man COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC(=O)[C@@]2(O)[C@H](C)O)C1 2356424154 KYGPNWVAMZIKIS-OIVZDHGKSA-N 394.552 3.309 0 1 GGAF COc1cc(CCC(=O)CC(=O)[C@@H]2C=Cc3[nH]ccc3[C@@H]2C[C@@H](C)O)ccc1O 2356424879 XXIACEMGIURVEE-ZMYBRWDISA-N 397.471 3.388 0 1 GGAF Brc1cc([C@H]2C[C@H]3CC[C@H]2N3)cnc1I 100048002 WAVPLZVAIHIFRR-NQMVMOMDSA-N 379.039 3.057 0 1 GGAF O=C(c1ccccn1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1CCCc1ccccc1 29126023 DRHYQCBANWFNMY-VXKWHMMOSA-N 391.515 3.353 0 1 GGAF COCCNC(=O)[C@]1(C)CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 61927781 WPKJZFJUJUUXFK-LJQANCHMSA-N 393.940 3.438 0 3 GGAF COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@H]2CC[C@@H]1N2Cc1ccccc1 29224261 XYKATAPFAYNVFX-IVAOSVALSA-N 379.456 3.438 0 1 GGAF Cc1cc(C(=O)N[C@@H](C)c2c(-c3ccc(Cl)cc3)noc2C(=O)O)nn1C 2356632795 SUUINWIDDLAQHL-JTQLQIEISA-N 388.811 3.226 0 1 GGAF C[C@]1(C(=O)NCc2ccccn2)CCN1C(=O)Cc1ccc(Cl)cc1Cl 61905778 XOYCPHFGHOLNLI-LJQANCHMSA-N 392.286 3.238 0 3 GGAF C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1C(=O)C/C=C/c1ccccc1 61930715 ISUKBEAARGCZEX-NPOAWEEOSA-N 392.455 3.491 0 3 GGAF CC(=O)OC(C)(C)[C@H]1Oc2cc3oc(=O)ccc3cc2[C@@H]1OC(=O)C=C(C)C 13461228 FOACRIIAKPYTRH-PMACEKPBSA-N 386.400 3.446 0 1 GGAF biogenic CNC(=O)c1ccc(-c2ccc3nnc(-c4ccc(OC)c(OC)c4)n3c2)cc1 82082637 OTRMDXKLAJYRNW-UHFFFAOYSA-N 388.427 3.440 0 1 GGAF Cc1cccc(-c2nc3/c(=N/c4cccc(NS(C)(=O)=O)c4)[nH]ccc3[nH]2)c1 82081782 NVPVZHHPUGYPFZ-UHFFFAOYSA-N 393.472 3.470 0 1 GGAF CN(C)C(=O)c1cnc(-c2ccccc2)nc1Nc1ccc(CC(=O)O)cc1 96938272 YGUKNCGLMLNKPE-UHFFFAOYSA-N 376.416 3.216 0 1 GGAF CCOc1ncnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1C 261154854 PRYSYDWVSRGZSN-HNAYVOBHSA-N 384.480 3.039 0 1 GGAF c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCc3nn[nH]n3)CC2)c1 618008566 COFCYFIBJNJICH-UHFFFAOYSA-N 387.491 3.149 0 1 GGAF Cc1nc(C)c(CN=c2[nH]c(OCC[C@H]3CCCCN3)nc(Cl)c2C)s1 473112242 BQGSZYQXTPJJJY-CQSZACIVSA-N 395.960 3.457 0 1 GGAF OC1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CCOCC1 586913241 KFLCPAYBQYNQQA-UHFFFAOYSA-N 381.148 3.222 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCO)([C@H](C)NC(=O)OC(C)(C)C)O2 587390991 QDZUTIOCWMKQJD-QKKBWIMNSA-N 392.496 3.357 0 1 GGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(N)=O)c(OCC)c1)CC2=O 587471047 QEDLARFRNGARNA-IBGZPJMESA-N 399.443 3.314 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)(F)C(=O)O)cc1)[C@@H](C2)C3=O 587424481 ZAQIFLPBJALNDV-SUMWQHHRSA-N 376.311 3.240 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)O)n(C)c2)N1 587754035 XMUOSZICFIKFSS-XYZCENFISA-N 381.245 3.423 0 1 GGAF CC(C)(C)OC(=O)NCc1nc(-c2nc3c(S)nc(S)nc3[nH]2)cs1 587014302 OYOOEUAOMFXQHW-UHFFFAOYSA-N 396.523 3.079 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCC(N)=O)c2)N1 587749706 QEQQTSCILHHPDU-MGNBDDOMSA-N 393.256 3.076 0 1 GGAF Cc1c(Br)cnc2nc(-c3ccc(NS(C)(=O)=O)cc3)[nH]c12 586951388 ZPZZVFVLAQOTNS-UHFFFAOYSA-N 381.255 3.067 0 1 GGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)cc1 586950440 HDAFTIDLDINVQA-UHFFFAOYSA-N 384.461 3.265 0 1 GGAF COCCN1C(=O)C[C@]2(C=C1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587761786 WDEOUBKNCRXJSC-VOJFVSQTSA-N 397.288 3.100 0 1 GGAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]2(c1ccccn1)[C@H]1CCNC1 962698764 JUDDECREUXHLGA-GSHUGGBRSA-N 383.536 3.437 0 1 GGAF Cc1cc2c(cc1O)[C@]1(C[C@H](C)[C@H](C)N(Cc3ccccc3)C1)N[C@H](C(=O)O)C2 963511661 UTRPAELIVGFWLM-CXPUYTBASA-N 394.515 3.425 0 1 GGAF CC[C@H](NC(=O)c1cnn2nc(C)cnc12)c1ccc(OC(F)(F)F)cc1 1772574978 IJTLFAIKVFZHFJ-AWEZNQCLSA-N 379.342 3.212 0 1 GGAF Cn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)cn1 12459385 RRZVRAONPDCZRA-UHFFFAOYSA-N 382.508 3.090 0 3 GGAF COc1ccc(CCNC(=O)CCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1OC 13140111 AZQZSSIWTWBXEQ-BQFCYCMXSA-N 390.524 3.084 0 1 GGAF COc1ccccc1[C@H]1CN(CC(=O)N2CCSCC2)Cc2ccccc2O1 14964610 ISDXNNOLPVDHSR-OAQYLSRUSA-N 398.528 3.206 0 1 GGAF CN(C)CCCNc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1 169348287 OQMBYFPSIKELDN-UHFFFAOYSA-N 388.479 3.028 0 1 GGAF COc1ccc2c3c1O[C@H]1C(=O)CC[C@]4(Nc5ccccc5)[C@@H](C2)N(C)CC[C@@]314 169372996 QMZAHWGFWQZOLK-GOUWZUTHSA-N 390.483 3.168 0 1 GGAF Nc1nn(Cc2n[nH]c(=Nc3ccccc3)s2)c2nc(C(F)(F)F)ccc12 1857592742 FRVVQYNTXFGBDJ-UHFFFAOYSA-N 391.382 3.098 0 1 GGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2cnc(OCCO)cc21 1857603418 GIHHQSYEFBIQRM-UHFFFAOYSA-N 389.455 3.107 0 1 GGAF Cc1ccccc1CNC(=O)CCC(=O)N1C[C@H]2CCCN2c2ccccc21 6914799 UDUPRPULMOJNRO-LJQANCHMSA-N 377.488 3.407 0 1 GGAF O=C(CN1CCN(Cc2ccccc2)CC1)[C@@](O)(c1ccccc1)C1CCCC1 22940502 HLLLGKYQEQQFSS-RUZDIDTESA-N 392.543 3.451 0 1 GGAF CN1C(=O)C(c2c[nH]c3ccccc23)=C(c2cn(CCCN)c3ccccc23)C1=O 28462403 LDFYBQDNCSYZAQ-UHFFFAOYSA-N 398.466 3.381 0 1 GGAF CCN(CC)C(=O)[C@H](C)[C@H]1CCc2c(C)cc(OCCOC)c(C)c2[C@H]1O 2356319455 HQYADZTWSICTSK-FPDPHYFHSA-N 377.525 3.429 0 1 GGAF CC(C)[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N21 26958738 AUQFEEAWGMJALA-JAXLGGSGSA-N 387.483 3.359 0 1 GGAF CC(C)Cc1ccc([C@@H](C)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 29478083 NKPWNXGPVIPLLM-OAHLLOKOSA-N 385.485 3.402 0 1 GGAF C[C@]1([C@H](O)CO)C=C[C@@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@H]2[C@](C)(CO)C[C@@H](O)C[C@@]23C)C1 2356578405 QJZOWGAARKUAKT-SMWTWYMQSA-N 392.580 3.134 0 1 GGAF CCC=CC[C@H](O)C=CC=CC[C@@H](O)C=CC=CC=C[C@H](O)CCC(=O)O 2356759717 QBTJOLCUKWLTIC-ACRUOGEOSA-N 376.493 3.461 0 1 GGAF NCCCCNCc1c2c(nc3ccccc13)-c1cc3ccccc3c(=O)n1C2 45354151 KDLIFJAXMWMRJX-UHFFFAOYSA-N 384.483 3.407 0 1 GGAF CC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3C[C@@H](F)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 136771102 UOHQEFKIKABMNS-VKJPYJMCSA-N 382.516 3.019 0 1 GGAF CCCCc1nc2nc(N3CCC(O)(Cc4ccccc4)CC3)ccc2[nH]c1=O 82231362 SUJKLUUKMRJTRD-UHFFFAOYSA-N 392.503 3.235 0 1 GGAF COc1cc(OC)cc([C@]2(C)C3=C(COC3=O)N(C)c3cc(OC)ccc32)c1 40901028 XWSYFFUYIUOZRQ-QFIPXVFZSA-N 381.428 3.279 0 1 GGAF CCCCN(CCCC)Cc1cn(C[C@H](O)COC(=O)C2CCCCC2)nn1 82149716 UCOZNZCDOWBCEI-FQEVSTJZSA-N 394.560 3.165 0 1 GGAF Cc1nc2cccnc2n2c(-c3cc(OCC[C@H](C)O)ccc3Cl)nnc12 145709913 PXBHLHKQTVMFAS-NSHDSACASA-N 383.839 3.451 0 1 GGAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccc(F)cc1)CC31CN(C)C1 95661683 CIGZZOYDAWLOJD-FQEVSTJZSA-N 395.478 3.048 0 1 GGAF Cc1c(-c2ccc(Oc3ncccc3OC(F)F)cc2)n(C)c(O)nc1=O 261149019 OMWKYRHUGPLHEF-UHFFFAOYSA-N 375.331 3.250 0 1 GGAF N[C@]1(c2nc3cc(I)cnc3[nH]2)C[C@@H]1c1ccccc1F 587158417 XCAFEXDDRYITAG-MEBBXXQBSA-N 394.191 3.043 0 1 GGAF N[C@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586984176 NPUXLBJUJLYMLN-CYBMUJFWSA-N 385.265 3.453 0 1 GGAF C[C@@]1(c2ccc3nnnn3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343999 FCWUORJJBYFOGD-CTNGQTDRSA-N 390.374 3.243 0 1 GGAF COc1cc(OC)c2cc([C@@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)cnc2c1 962905308 ZTIFOQCUCALJNN-ICSRJNTNSA-N 382.391 3.079 0 1 GGAF CC(=O)[C@@H]1CCCC[C@@]12c1scnc1C[C@H](C(=O)O)N2C(=O)OC(C)(C)C 963135521 DSTAWGJHYOPBQN-CFZJUORYSA-N 394.493 3.364 0 1 GGAF CCOC(=O)C1=CNn2cccc2[C@]12c1cc(OC)ccc1CCN2C(C)C 962095558 VBNNUYMOOMGNGG-QFIPXVFZSA-N 381.476 3.011 0 1 GGAF O=C(CCCCCc1ccc(I)cc1)N1CCOC1=O 1857641726 RTFRKZXSMFJOHT-UHFFFAOYSA-N 387.217 3.373 0 1 GGAF Cc1nc2c(C(=O)Nc3ccc(F)cn3)cc(Oc3cncc(F)c3)cn2n1 1772584761 MGUFWGFLKIGEGH-UHFFFAOYSA-N 382.330 3.151 0 1 GGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCCC3)c2cn1)c1ccccc1 1772605210 JFVLVIUDISPJDD-QGZVFWFLSA-N 380.452 3.067 0 1 GGAF NC(=O)c1cc(Cl)c2c(Cl)c([C@@H]3CCCO3)n([C@@H]3CCCNC3)c2n1 1772586272 NPHICJWCOYEVRI-SKDRFNHKSA-N 383.279 3.218 0 1 GGAF CCn1c2c(c3ccccc31)S(=O)(=O)N(C)C(C(=O)Nc1ccccc1)=C2O 13605479 DGCWWOQNXPRVMG-UHFFFAOYSA-N 397.456 3.161 0 1 GGAF Cc1ccc2c(c1)[C@@](O)([C@@H]1C(=O)N(C)c3ccccc31)C(=O)N2Cc1ccccc1 203697290 GVRXNAUYJYEBQO-WIOPSUGQSA-N 398.462 3.490 0 3 GGAF CNc1nc(Nc2cn(C(C)(C)c3ncccn3)nc2C)ncc1C(F)(F)F 205708331 WSUTVOQKARPJBC-UHFFFAOYSA-N 392.389 3.359 0 1 GGAF CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C 205474170 YEIYTNALFFTPHD-XQFWAAQXSA-N 384.520 3.234 0 1 GGAF O=C(NCc1ccc(F)c(Cl)c1)c1[nH]c(-c2ccc(F)cc2)nc(=O)c1O 205699740 YJCIOHLDVOHJLV-UHFFFAOYSA-N 391.761 3.004 0 1 GGAF CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)C(N)=O 207733936 YTIPRQCWHLGCLN-FQEVSTJZSA-N 383.467 3.319 0 1 GGAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 1113284 WNZXJYLVHSKSSF-GOFCXKROSA-N 388.423 3.259 0 1 GGAF Cc1c(CCC(=O)N[C@H](C)C(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 6075909 LVDVELPSMYNOFP-GFCCVEGCSA-N 397.427 3.248 0 1 GGAF biogenic COc1cc([C@H]2c3cc4c(cc3C=C3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC 13371273 HMOQGLNIZXPXJE-PMACEKPBSA-N 396.395 3.143 0 1 GGAF biogenic CC(C)C(C/C=C1/C[C@@](CO)(COC(=O)c2ccc(O)cc2)OC1=O)C(C)C 13704176 YQMGTUAKPTUCGH-VRHLRSHRSA-N 390.476 3.472 0 1 GGAF O=C(O)c1cc(CCn2cnc3c2NC=NC[C@H]3O)cc(-c2ccc(F)cc2)c1 13807598 AUOLPWSGNVUJJG-GOSISDBHSA-N 394.406 3.117 0 1 GGAF CC(=O)Nc1ccc(Cc2noc(Cc3ccc4[nH]cc(CCN)c4c3)n2)cc1 13827473 OOLWBBTZIFDOEN-UHFFFAOYSA-N 389.459 3.192 0 1 GGAF COCc1cc(O)c(Cc2cc(O)c(Cc3cc(O)ccc3O)cc2O)cc1O 29042412 WMFZCOHRHOJWON-UHFFFAOYSA-N 398.411 3.248 0 1 GGAF biogenic CN1CC[C@H](Oc2ccc(-n3ccc(OCc4ccccc4)cc3=O)cc2)C1 66251601 UULNBRJDGOKKRC-QFIPXVFZSA-N 376.456 3.499 0 1 GGAF COc1ccc(CN2C(=O)[C@@](O)(c3ccc4c(c3)OCO4)c3ccccc32)cc1 71334030 SOZRMAQKNZDHCN-HSZRJFAPSA-N 389.407 3.207 0 1 GGAF COCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccccc1F 82159586 FOFLJKQQNBDGKW-UHFFFAOYSA-N 384.411 3.172 0 1 GGAF C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCSC 82220246 GGRCJUMPAJSHLU-XPQOJOKPSA-N 396.597 3.388 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5ccncc54)ccc31)[C@@H]1CC[C@H](C2)N1 96175244 VBADCNLCNDVGHG-PBHICJAKSA-N 392.484 3.114 0 1 GGAF CSc1nn(-c2ccccc2)c2nc3n(-c4ccc(F)cc4)cnn3c(=O)c12 103210745 VGTICHWDWMWXKB-UHFFFAOYSA-N 392.419 3.080 0 1 GGAF O=C(O)c1cccc(NC(=O)N2CCN(Cc3cnc4ccccc4c3)CC2)c1 149457994 CHDLHDMNVISUIK-UHFFFAOYSA-N 390.443 3.283 0 1 GGAF N[C@@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cncc(F)c5)cc34)n2)C1 205257489 BVCAGJZNPVSGFU-OAHLLOKOSA-N 389.438 3.149 0 1 GGAF Cc1c2c(nn1C)C(=O)N(c1ccc3nnc(C)n3c1)[C@@H]2c1ccc(Cl)cc1 261181492 WEXADKQIKVPYMF-LJQANCHMSA-N 392.850 3.483 0 1 GGAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 586925911 KWCLCJUZDDEBLW-UHFFFAOYSA-N 398.271 3.484 0 1 GGAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)s1 587022919 FHYBRYKSBUYKGF-UHFFFAOYSA-N 387.421 3.364 0 1 GGAF COc1cc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2cn1 587126277 WVWRETXLEJHIKL-UHFFFAOYSA-N 386.355 3.203 0 1 GGAF Cc1c(I)cnn1[C@@H](C)c1nc2ccnc(Cl)c2[nH]1 587182120 LNYZYGUFHIZKKW-ZETCQYMHSA-N 387.612 3.330 0 1 GGAF COc1cc(-c2nc3ccc(F)c(F)c3[nH]2)ccc1OCC(=O)NC(C)C 587221802 JQSWZVLVUXZUPQ-UHFFFAOYSA-N 375.375 3.420 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(CCc3ccc(C)c(N)c3)[nH]c2c1 587249488 BMMIDQHLQYODMJ-UHFFFAOYSA-N 386.521 3.317 0 1 GGAF Oc1nc(O)c2ccc(-c3cc(Br)ccc3OC(F)F)nc2n1 587368436 PPLLTQQKQISYNI-UHFFFAOYSA-N 384.136 3.467 0 1 GGAF CCOC(=O)c1cc2c(nc1O)CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587393921 BPLCDYJTDSBHHF-OAQYLSRUSA-N 382.416 3.052 0 1 GGAF COc1cc2c3c(c1)OC1(CCN(C(=O)c4ccc(F)cc4)CC1)[C@@H](C2)C3=O 587430043 YSIBCWDQTGGDFA-KRWDZBQOSA-N 381.403 3.257 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cccc(F)c12 587737734 GXCFDQOPZYRDJX-RBHXEPJQSA-N 379.204 3.457 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(=O)O)nc2)N1 587773368 QVXWJJCJVKYPKO-XYZCENFISA-N 379.229 3.479 0 1 GGAF COCCCN1CCC(F)(CNC(=O)c2nc(C(C)C)n3ccccc23)CC1 653803577 BHTFGLVKTBURRE-UHFFFAOYSA-N 390.503 3.028 0 1 GGAF C[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccc(O)cc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c2ccccc2NC1=O)C1CCCCC1 13132194 PNQNBVRMEPAKSF-UZLBHIALSA-N 387.524 3.326 0 3 GGAF aggregator CC(=O)[C@]1(C(=O)NCc2ccccc2)CC(c2ccccc2C(F)(F)F)=NO1 203474309 VKUQTHHLALAVKT-IBGZPJMESA-N 390.361 3.474 0 3 GGAF COc1ccc(CN2CC[C@@H](CC(=O)O)[C@H](Cc3nc4cnccc4[nH]3)C2)cc1 2356315409 XGCTUJOTOBVSKI-DLBZAZTESA-N 394.475 3.122 0 1 GGAF O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl 4296593 KQNBMLBEURZIPA-WBVHZDCISA-N 397.233 3.333 0 1 GGAF COc1ccccc1CNC(=O)CCC(=O)N1C[C@H]2CCCN2c2ccccc21 6914754 SHNGXGKVGMIIEB-GOSISDBHSA-N 393.487 3.107 0 1 GGAF O=C1N[C@H](C(=O)O)Cc2cccc(c2)OCCCCOc2ccc1c(Cl)c2 103258300 NHZAXNNFKILNCX-SFHVURJKSA-N 389.835 3.317 0 1 GGAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]1OC(=O)c1ccccc1)N2Cc1ccccc1 100744661 XYKATAPFAYNVFX-UWHLTILDSA-N 379.456 3.438 0 1 GGAF CCO/C(O)=C1/C(C)=Nc2nc(SC)nn2[C@H]1c1ccc(C(=O)OC)cc1 102775316 IUYNFMVCKINARD-DSDLTIFZSA-N 388.449 3.288 0 1 GGAF COc1ccccc1[C@H]1CCCN(c2cc(-c3ccncn3)cc(=O)n2C)C1 66066320 SYOKYNYBZSTAIK-INIZCTEOSA-N 376.460 3.235 0 1 GGAF CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@H](C)N)nn1 70463209 WGSIQZBFMOSLES-TVQRCGJNSA-N 388.365 3.234 0 1 GGAF CN(C)C(=O)n1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21 36331869 CZRZQPDXGBNRCC-QFBILLFUSA-N 380.473 3.153 0 1 GGAF C=C([C@H](COC(C)=O)[C@@H]1COC(=O)[C@@H]1O)[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]12C 14694726 PSHJQGSIUUBXHM-GNHGWPCESA-N 378.509 3.498 0 1 GGAF biogenic C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1 45286064 STXRQVNFUFZKSJ-DNVCBOLYSA-N 377.492 3.470 0 1 GGAF CC(=O)Nc1ccc2c(c1)C[C@@H]1CC[C@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1 40533446 RNRCQICMAYSEFP-WWMYMODYSA-N 384.501 3.117 0 1 GGAF O=C(Nc1ccn(S(=O)(=O)Cc2ccc(Cl)cc2)c1)c1ccccn1 198475675 KCHDYLXSAMNEHX-UHFFFAOYSA-N 375.837 3.167 0 1 GGAF O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCC[C@H]1CO 144743863 CXCXOOTVFPWEFF-ORAYPTAESA-N 377.362 3.062 0 1 GGAF COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(F)c2)c(OC)c1 96908639 LHAOSLUFSMDERE-BQYQJAHWSA-N 397.424 3.273 0 1 GGAF Cc1cc(OC(=O)c2ccc(OCCCO[N+](=O)[O-])cc2)n(-c2ccccc2)n1 95555487 UAASVJUENQKLDQ-UHFFFAOYSA-N 397.387 3.377 0 1 GGAF COCCN1C(=O)[C@]2(C=C1N)c1cc(C3CC3)ccc1CC21CCC(OC)CC1 146798069 JJZWXAKXKJAVQG-TVNWEXPRSA-N 396.531 3.222 0 1 GGAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 299876765 GGCKCPKZADUGGX-HEFCMCLBSA-N 385.895 3.498 0 1 GGAF Cn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CCC5)nc34)cc2)cn1 653825396 LOOFFGPDPOEAMT-UHFFFAOYSA-N 384.443 3.125 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2CCS(=O)(=O)CC2)N1 587845737 RZLHNHSRUGBWFA-QFYYESIMSA-N 390.318 3.162 0 1 GGAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cncnc3[nH]2)C[C@@H]2CCCC[C@@H]21 586960738 NZKSTHCDPVGIJT-JQFCIGGWSA-N 383.477 3.047 0 1 GGAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(Br)nc2[nH]1)C(C)C 586932461 FRNMXMYPZZOGDU-LBPRGKRZSA-N 389.319 3.137 0 1 GGAF COC(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc1 587662093 XNFWVOVUYJGYIY-UHFFFAOYSA-N 375.359 3.373 0 1 GGAF CCOC(=O)[C@@H]1C[C@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1C(=O)OC)CC5 587211621 HGHMVSVMDRBCIT-SIFCLUCFSA-N 394.471 3.068 0 1 GGAF COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587591404 CJRIHCHKKWZWIS-PGRDOPGGSA-N 389.363 3.210 0 1 GGAF Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n(C)n1 587657396 VPICGFSETBYWDR-UHFFFAOYSA-N 380.354 3.072 0 1 GGAF COc1ccc2c(c1)NC(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587792058 KXPJRHIYTMHZJM-LZVRBXCZSA-N 391.240 3.327 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1F)[C@@H](C2)C3=O 587427601 JXAPNJPRYXMFNI-ZQGRQUNCSA-N 377.412 3.160 0 1 GGAF COC(=O)c1cc2nc([C@H](O)C(C)(C)CO)[nH]c2c(F)c1Nc1ccccc1 586900174 AQKXGYPLJZLFHH-KRWDZBQOSA-N 387.411 3.284 0 1 GGAF COC(=O)[C@@H]1[C@H](C)CC(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587804741 FJZDCNASUKQZKJ-DBVYIEPUSA-N 398.272 3.106 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1nc[nH]n1 587591901 XITWJZGTFSKAAT-GCJKJVERSA-N 385.379 3.416 0 1 GGAF CC1(C)[C@H]2C[C@H]1[C@@](C)(O)[C@@]1(C2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962647645 YEGADIYPSMZPBP-ZCUWWCRPSA-N 399.409 3.196 0 1 GGAF CC(C)C[C@H]1C[C@@H](C)[C@]2(C(=O)Nc3ccc(F)cc32)N1C(=O)c1cn(C)cn1 1772576838 WAFNVKVWBPXGHK-CGSMKXTHSA-N 384.455 3.304 0 1 GGAF CCN1CCN(C(=O)c2cn(Cc3ccccc3)c3c(OC)cccc23)CC1 201850439 VUMDEFASFOCYQN-UHFFFAOYSA-N 377.488 3.476 0 1 GGAF CCCc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@@H]3C2)cc1 205223881 BAGQRZXXWHEPEV-WOJBJXKFSA-N 384.501 3.371 0 3 GGAF NS(=O)(=O)c1ccc(O[P@@](=O)(Nc2ccccc2)c2ccccc2)cc1 1857554282 KNDARAGEZKRGBF-RUZDIDTESA-N 388.385 3.344 0 1 GGAF NS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 1857771368 WHGMLVAKKTTWJR-UHFFFAOYSA-N 399.428 3.476 0 1 GGAF CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(O)cc2)N2C(=O)CSC2=N1 3208634 KISWOENOEQATHR-SFHVURJKSA-N 379.441 3.291 0 3 GGAF C[C@@H]1CCC[C@H](NC(=O)C[C@@H](C(=O)N2CCc3ccccc32)n2ccnc2)[C@@H]1C 4670008 JYEXOCHFKVOWAH-REHHDOPLSA-N 394.519 3.345 0 1 GGAF CN1C(=N)C([C@H](CC(=O)c2ccccc2)C(=O)c2ccccc2)C(=N)N(C)C1=O 58487690 PFFBCCWDEREKDP-ATNAJCNCSA-N 390.443 3.326 0 1 GGAF CCCCn1c(=O)c(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c(O)c2ccccc21 100759281 NTTDPWHRILLPCL-HUUCEWRRSA-N 384.476 3.289 0 1 GGAF N=C(N)c1ccc(O)c(CCCNC(=O)c2ccc(-c3ccccn3)s2)c1 26280219 HNTLDMHYALCAIJ-UHFFFAOYSA-N 380.473 3.162 0 1 GGAF O=C(O)c1ccc(CN2C[C@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cc1 2356610597 QFZMJPBCWVPLSN-QUCCMNQESA-N 392.455 3.163 0 1 GGAF CCc1c(Br)c(N)c(Br)c(CC)c1NC1=NCCN1 29468796 ORKKLTSJZBCTHE-UHFFFAOYSA-N 390.123 3.290 0 1 GGAF Cc1ccc(-c2nc3n(c2Nc2ccc(F)cc2)CCN(C(=O)CN)C3)cc1 72111257 ZAODGNGYVZHNJR-UHFFFAOYSA-N 379.439 3.042 0 1 GGAF CC(C)S(=O)(=O)c1c(O)n(Cc2ccc(F)c(F)c2)c(=O)c2ccccc12 36126897 QRZBUZGQIBTFCB-UHFFFAOYSA-N 393.411 3.216 0 1 GGAF COc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)C(C)(C)C)c32)cc1 40764484 CPDPCKYIRWPWKH-UHFFFAOYSA-N 388.489 3.431 0 1 GGAF C[C@]12CC[C@H](O)[C@](CO)(C(=O)O)[C@@H]1CCc1cc3[nH]c4ccccc4c3cc12 138828353 OLMKVWKEEMDZBW-IRMYBRCSSA-N 379.456 3.359 0 1 GGAF O=C1N(Cc2ccccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2 96173099 CAFVMNXQDPJEHB-UHFFFAOYSA-N 387.487 3.434 0 1 GGAF Cc1ccc2cc3c(nc2c1)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3 95560043 SWAFWAITMOEAAO-UBFVSLLYSA-N 386.495 3.277 0 1 GGAF CO[C@H]1O[C@@H]2C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]3CCC[C@H]1[C@@]32CO 238763569 SUPRLOYYPNFRNB-IQEJOYMASA-N 376.449 3.060 0 1 GGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CCC(=O)O)c2ccccc21 587484908 HBHHFIWCSOOJKC-JOCHJYFZSA-N 395.411 3.027 0 1 GGAF COc1cc2c3c(c1)O[C@]1(C[C@H]4CN(C(=O)OC(C)(C)C)CC[C@H]41)[C@@H](C2)C3=O 587441530 GJGPEGIIKBCSCD-IZGSKCEXSA-N 385.460 3.458 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C)(C1(C(=O)OC)CC(OC)(OC)C1)CC2=O 587481175 QAAGBBMBXHAXPZ-LJQANCHMSA-N 392.448 3.011 0 1 GGAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(S)nc(S)nc2[nH]1 587080904 VENJZMKTYLTAPW-SECBINFHSA-N 376.898 3.308 0 1 GGAF O=C(C[C@@]1(C2CC2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21)C(F)F 962980332 UGLACORHPCOICS-QFYYESIMSA-N 379.737 3.047 0 1 GGAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](NC[C@H](C)O)(c1ccccc1)C(=O)N2 1772621714 PPMWZCIDGVNNEH-XMHCIUCPSA-N 377.444 3.125 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@H]3CCCOC3)c2cn1)c1ccccc1 1772615865 XUOMAALPUPHLBK-HIFRSBDPSA-N 380.452 3.432 0 1 GGAF CCCn1c(=O)c2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2n(CCC)c1=O 13832729 YZRKAEXFIHFKPM-UHFFFAOYSA-N 380.370 3.392 0 1 GGAF CC[C@H]1CCCCN1C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 14965412 GIDNASQVRGVIGV-HNNXBMFYSA-N 381.436 3.239 0 3 GGAF O=C1N=Nc2nc(CN3CCN(c4ccc(F)cc4)CC3)nc3cccc1c23 169710157 NWBXNPRRCQFIHC-UHFFFAOYSA-N 376.395 3.329 0 1 GGAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)c2ccc(N(C)C)cc2)C1=O 200050573 WGDSCCPFSDDKIU-OAQYLSRUSA-N 379.504 3.372 0 3 GGAF Nc1nn2c(c1-c1ccccn1)CC(c1ccc3c(c1)OC(F)(F)O3)=CC2=O 208557488 WFZANZQMUDRADK-UHFFFAOYSA-N 382.326 3.129 0 1 GGAF Cc1ccc2nc(CO[C@@H]3CN(Cc4ccc(C(=O)O)cc4)C[C@H]3F)[nH]c2c1 2356299813 OPJAVZGZWHPNPI-VQIMIIECSA-N 383.423 3.309 0 1 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCCOC 4152856 QROSPJZDSWTGTL-FPOVZHCZSA-N 382.460 3.330 0 1 GGAF CCCCNC(=O)c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 103187251 TWCWEHSSSPSZAX-UHFFFAOYSA-N 375.375 3.457 0 1 GGAF CN(Cc1ccc2ccccc2n1)C[C@@H](O)COc1ccc(-n2ccnc2)cc1 26969647 YILSNDKQTMTZAC-OAQYLSRUSA-N 388.471 3.292 0 1 GGAF O=C(c1ccc(F)cc1)N1C[C@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356638548 ITHXGQVJRCBZSH-YOEHRIQHSA-N 375.350 3.220 0 1 GGAF O=C(c1nccs1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1CCCc1ccccc1 29125676 RRBIHNNDNGFKDA-OALUTQOASA-N 397.544 3.414 0 1 GGAF COc1cc([C@H]2OC(c3ccc(N(C)C)cc3)=NN2C(C)=O)cc(OC)c1OC 27437323 JLHZYDALLVHMAM-OAQYLSRUSA-N 399.447 3.018 0 1 GGAF CN(c1ccccc1Oc1ccc(OCCN2CCCC2)cc1)S(C)(=O)=O 71318708 NJRWCOYNVWNLFS-UHFFFAOYSA-N 390.505 3.349 0 1 GGAF COC(=O)CNC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 71295194 FVMUAEWXYQMDEU-UHFFFAOYSA-N 377.356 3.053 0 1 GGAF Cc1cc(-c2cnc(N)c(-c3ccc(N4CCN(C)CC4)nc3)c2)cc(C)c1O 45190696 ASGQPSQTJICXHR-UHFFFAOYSA-N 389.503 3.467 0 1 GGAF COc1ccc([C@@H]2CC(c3ccc4c(c3)OCO4)=Nc3c(N)ncnc3N2)cc1 42878022 UVMUOJRRNRWFSH-HNNXBMFYSA-N 389.415 3.474 0 1 GGAF COc1cc2c(cc1OC)[C@@H](O)C[C@@H](NC(=O)C(F)(F)F)c1cc(O)ccc1-2 84615025 OJFQSHMUCHHBPR-CABCVRRESA-N 397.349 3.233 0 1 GGAF O=C(O)[C@H]1[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@H]1C(=O)O 587971345 ZXIHLRGKFUFFOK-WHUPJOBBSA-N 382.216 3.099 0 1 GGAF CCOC(=O)Cc1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 587033810 BFYMLTQBXJYDOI-UHFFFAOYSA-N 383.473 3.149 0 1 GGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(F)c2[nH]1 586936476 NIDYDQIKXCGPSJ-HNNXBMFYSA-N 379.482 3.475 0 1 GGAF FC(F)(F)c1nn(CCc2nc3c(Cl)ncnc3[nH]2)cc1Br 587118094 JRXXNWQCFOFTTI-UHFFFAOYSA-N 395.570 3.227 0 1 GGAF Cc1ccc(-n2ccc(=O)c(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n2)cc1 587875148 GJMPLPHZHVQDQB-UHFFFAOYSA-N 388.358 3.338 0 1 GGAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)cc1 587786425 QOAWQGBIKZCQOH-RBUKOAKNSA-N 390.487 3.258 0 1 GGAF C[C@@]1(c2nc3c(Br)ccnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172885 OPATXTYAFTWVET-INIZCTEOSA-N 376.185 3.488 0 1 GGAF CSc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(=N)[nH]1 587843474 ILBRCCYQWNMCBK-UHLUBPPHSA-N 383.290 3.136 0 1 GGAF COc1cccc(-c2cc(O)cc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c2)c1 587933573 QYNFSZVKVBDWOR-UHFFFAOYSA-N 395.440 3.259 0 1 GGAF CC1=C(c2ccc3nc(-c4c(C)oc5c4C(=O)CCC5)[nH]c3c2)NNC(=O)C1 586903751 MKWFKHSJEKLZGA-UHFFFAOYSA-N 376.416 3.406 0 1 GGAF CNS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533822 WHVATPAYQRAKKD-NRFANRHFSA-N 385.485 3.354 0 1 GGAF COC1=COC(C(=O)O)=C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351658 JCKJFKYYEBMKOW-GHTZIAJQSA-N 398.342 3.116 0 1 GGAF CCCc1c(O)ccc2c1O[C@](C(=O)OC)(c1c[nH]c3ncccc13)CC2=O 587479377 BULDLSTZVHLMDI-NRFANRHFSA-N 380.400 3.255 0 1 GGAF O=C(/C=C\c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1ccc(F)cc1 587167178 OMYMRDCUOJVFGW-FPLPWBNLSA-N 380.423 3.186 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCCO 587596806 PEGVMXSPYKAOPZ-SIKLNZKXSA-N 378.380 3.466 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2CCS(=O)(=O)CC2)N1 587847104 WIBGRGZGFZAVHE-QLJPJBMISA-N 390.318 3.162 0 1 GGAF CCOc1n[nH]c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1Cl 587064632 DVEQDMKZROOTRT-UHFFFAOYSA-N 385.815 3.064 0 1 GGAF CCOC(=O)c1c(C)[nH]c([C@@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1C 963015730 AEAACAPQXMYVKX-PEBXRYMYSA-N 381.476 3.125 0 1 GGAF CCOC(=O)[C@@]1(c2cccs2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962707200 IECMAJUMWFJWJP-SUMWQHHRSA-N 383.391 3.201 0 1 GGAF COCCCn1nc(C)c2ccc([C@@H](C)N(C(=O)[C@H]3CCNC3)C3CC3)cc21 1772573301 VMLGMUXMAQTLIO-AEFFLSMTSA-N 384.524 3.043 0 1 GGAF O=C([C@@H]1CCCN(c2ccc3nc(-c4ccccc4)[nH]c3n2)C1)N1CCCC1 1772584742 KZVHMNTWSWYJLF-QGZVFWFLSA-N 375.476 3.464 0 1 GGAF COc1ccc(CC2(CO)CCN(Cc3cccc4nccnc34)CC2)cc1 12714375 ARUNCPSGNHAUKB-UHFFFAOYSA-N 377.488 3.456 0 3 GGAF CC(=O)OC[C@@H]1[C@@H](/C(=C/CC=C(C)C)CO)CC[C@@]2(C)C[C@]1(O)CC[C@H]2O 166357538 LNKWGASOQMUALA-QORSMFJMSA-N 380.525 3.133 0 1 GGAF C=CCN(C)C(=O)[C@H](C)[C@@H]1CCc2c(C)cc(OCCOC)c(C)c2[C@@H]1O 25205995 CZYVBKLNNXDTKW-FYINFDKHSA-N 375.509 3.205 0 1 GGAF biogenic O=C1C=C[C@@H]([C@@H]2c3cc4c(cc3CCN2C(=O)OCc2ccccc2)OCO4)O1 26575287 RFYIALWVGDWCHL-UWJYYQICSA-N 393.395 3.133 0 1 GGAF N[C@@H](C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1cccc(Cl)c1 28891731 IRCMQFHWDQBWEZ-LJQANCHMSA-N 383.883 3.319 0 1 GGAF COc1ccc(OC)c(NC(=S)Nc2cnn(Cc3c(C)noc3C)c2)c1 33879662 HSXFVFAIMWPDTK-UHFFFAOYSA-N 387.465 3.362 0 1 GGAF O=c1c2ccccc2cc2n1Cc1c-2nc2ccccc2c1CN1CCOCC1 40406263 KCQQGQKNQHGBPD-UHFFFAOYSA-N 383.451 3.411 0 1 GGAF COc1cccc(-c2ccc3nnc(Cc4cccc5c(=O)[nH]ccc45)n3n2)c1 73169008 RIXYNECEPINOTR-UHFFFAOYSA-N 383.411 3.232 0 1 GGAF COc1ccc(Oc2nc(NCc3ccc(C)cc3)nc(N(C)CCO)n2)cc1 82066533 TXEQDORSXAVMHW-UHFFFAOYSA-N 395.463 3.022 0 1 GGAF CCOC(=O)C1=C(c2ccc3c(c2)OCO3)Nc2cccc(OC)c2[C@@H]1NC 84466036 FMIRDZMWYKMUAM-FQEVSTJZSA-N 382.416 3.084 0 1 GGAF CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@H]2C[C@@H]([C@@H]3C[C@@H](C)C(=O)O3)N3CCCC[C@H]1[C@H]23 85541406 GYOGHROCTSEKDY-GZDZJECISA-N 375.509 3.015 0 1 GGAF biogenic,in-vitro Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c2ccccc2)cc1 100758888 DTDNYBLEFKLANA-OPYAIIAOSA-N 398.528 3.495 0 1 GGAF Cc1nc2cccnc2n2c(-c3cc(OCC4(O)CCC4)ccc3F)nnc12 145732547 ZAZMCPFIJNLKLM-UHFFFAOYSA-N 379.395 3.081 0 1 GGAF O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4ccno4)c3CCN12 149140352 OKPWMAWSGHTGOX-UHFFFAOYSA-N 385.427 3.102 0 1 GGAF Cc1nnc(-c2ccc(N3CCC(c4noc5ccc(F)cc45)CC3)nn2)o1 473179115 YRYCVYQUTHYAMW-UHFFFAOYSA-N 380.383 3.499 0 1 GGAF CN(C)C(=O)c1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 587038674 BCBLZBGNHFPLBS-AWEZNQCLSA-N 376.482 3.247 0 1 GGAF CCS(=O)(=O)c1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587069999 OFFIXUOLDLPRDQ-CYBMUJFWSA-N 377.897 3.295 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(F)cccc12 587739803 VWPRPKGAXQIOAU-QPFGOUBPSA-N 379.204 3.457 0 1 GGAF CCOC(=O)/C(=C/N(C)C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587756512 QXZKPKXTNADFJU-NRHDTQDRSA-N 399.304 3.346 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccnc(NN)c1 587865705 FVHAYHXOXZCBID-UHFFFAOYSA-N 391.353 3.337 0 1 GGAF CCOc1ccc([C@]2(C)NCC3(CCOCC3)c3ccc(OC)c(OC)c32)cn1 963194049 SLJGOBGIWAOFOG-QFIPXVFZSA-N 398.503 3.412 0 1 GGAF COc1cccc(Cc2cc(C)nn([C@@H](C)C(=O)Nc3cccc(F)c3)c2=O)c1 1857572051 DIFCGRAHBZQFTN-HNNXBMFYSA-N 395.434 3.490 0 1 GGAF COc1ccc(Cc2cn(CCNC(=O)Nc3cccc(Cl)c3)nn2)cc1 1857615092 VDFYRQLUHDZMNK-UHFFFAOYSA-N 385.855 3.353 0 1 GGAF O=C(c1ccc(Cl)cc1Cl)[C@]1(n2cncn2)Oc2ccccc2[C@@H]1O 1504273 WJHUOYXIBZLMEM-IRXDYDNUSA-N 376.199 3.247 0 3 GGAF O=C(Cc1c(C(=O)O)[nH]c2ccccc12)NC1CCN(Cc2ccccc2)CC1 4101903 QVBGQGCFTBRYNV-UHFFFAOYSA-N 391.471 3.189 0 3 GGAF C[C@@H]1CCC[C@@H](NC(=O)CCCn2c(=O)[nH]c3cc(Cl)ccc3c2=O)[C@@H]1C 4873303 XLNBYRSHUJNFNF-XJKCOSOUSA-N 391.899 3.064 0 3 GGAF CC[C@H]1CCCCN1C(=O)CCc1nnc(Cc2cc(OC)ccc2OC)o1 12835156 WCNGWJHQJLNOGP-INIZCTEOSA-N 387.480 3.401 0 3 GGAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4207613 CENCNOATCHYJEM-NTDBWNAOSA-N 388.851 3.445 0 1 GGAF CN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(CCc3ccccc3)c2n1 4238948 CWGRVBUIUPDCTE-UHFFFAOYSA-N 399.498 3.280 0 1 GGAF CSc1c(Cl)nc(NCc2ccc(F)cc2)nc1N1CCN(C)CC1 29231479 UTLKTRVVFAXPRE-UHFFFAOYSA-N 381.908 3.355 0 1 GGAF O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1CCN1CCOCC1 33143832 BIPNTJBZTHZYIH-UHFFFAOYSA-N 398.073 3.228 0 1 GGAF N[C@@H](CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)N1Cc2ccccc2C1 72105955 ZPNFYCZISSYESI-QFIPXVFZSA-N 399.494 3.152 0 1 GGAF CS(=O)(=O)c1ccc(/C(=C\c2ccc(Br)cc2)C(=O)O)cc1 95587172 GETDAMFWOSYFEV-XNTDXEJSSA-N 381.247 3.478 0 1 GGAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCCC3=O)cc2n1 205667319 ROOSHFSVNCXONY-UHFFFAOYSA-N 391.402 3.179 0 1 GGAF CCOC(=O)c1cnc(NCc2ccc(C)cc2)n2nc(-c3ccco3)nc12 299833197 LMDLTPLDFIQQJX-UHFFFAOYSA-N 377.404 3.482 0 1 GGAF COc1cc2oc(-c3ccc(OC(=O)N(C)C)cc3)cc(=O)c2c(O)c1OC 299854803 AKACNSPBIWNROI-UHFFFAOYSA-N 385.372 3.243 0 1 GGAF O=C1C[C@@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)CN1Cc1ccc(F)cc1F 587150926 VMYXDWQCWPTKLJ-SECBINFHSA-N 397.307 3.118 0 1 GGAF C[C@H](N=c1[nH]c2ccccc2s1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587654638 WXKPURRMNIMKGC-JTQLQIEISA-N 384.848 3.222 0 1 GGAF Nc1cc(Cl)nnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655537 LXIBNMRRUXVBQL-UHFFFAOYSA-N 385.761 3.357 0 1 GGAF CCOC(=O)[C@]1(CC(=O)CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800208 VYAKJQCFLDUBCC-DYZYQPBXSA-N 386.261 3.250 0 1 GGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CCc2nncn2C1 587863746 SMXQHKUSBAJMFH-NSHDSACASA-N 391.353 3.072 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccccc1O 587867927 REMHZSXNUPYSFO-UHFFFAOYSA-N 393.321 3.397 0 1 GGAF COc1ccc(-c2cccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c2C)c(OC)c1 587930928 XFJOPEWHLLSWOU-UHFFFAOYSA-N 377.404 3.131 0 1 GGAF O=C(O)c1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O 587945950 PUJMVMRRESCOQW-UHFFFAOYSA-N 381.363 3.183 0 1 GGAF O=S(=O)(c1ccc2c(c1)OCO2)N(CCc1ccccn1)Cc1ccccc1 1857774955 MRGISBZMJNVRCF-UHFFFAOYSA-N 396.468 3.244 0 1 GGAF CC[C@@]12CC[C@@]3(COC(C)=O)[C@@H](CCC4=C5[C@H](CC4)[C@@H](C(=O)OC)C[C@@]513)CN2 2356419974 KSROFXNZRLENBT-DJBJYPQGSA-N 387.520 3.378 0 1 GGAF CO[C@@H]1CC(=O)[C@]2(CC(=O)O[C@H]2C=C(C)CCC=C(C)C)C[C@@H]1OC(C)=O 2356731764 YGWPHAWAXUILGD-QRKMNUTDSA-N 378.465 3.291 0 1 GGAF O=C(Nc1cccc(F)c1)N1CCC2(CC1)CCN(C(=O)c1cnccn1)CC2 3956223 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O=C(c1cnc(NCc2ccccc2)nc1-c1ccc(F)cc1)N1CCOCC1 82139495 FWFQCTFBCVHDMJ-UHFFFAOYSA-N 392.434 3.367 0 1 GGAF O=C(C(=O)N1CCOCC1)c1cn(C(=O)/C=C/c2ccccc2)c2ccccc12 95587182 BTRVMIXZXDIWEE-ZHACJKMWSA-N 388.423 3.036 0 1 GGAF COc1cc(F)cc(-c2ccc3c(c2)[C@@]2(CC(C)(C)O3)N=C(N)N(C)C2=O)c1 95605517 LMVAIXZOTSBTQU-OAQYLSRUSA-N 383.423 3.044 0 1 GGAF CCC(=O)N1[C@@H]2CN(C(=O)Nc3ccccc3Cl)c3ccccc3[C@@H]2[C@@H]1CO 95894491 NRBNEYGDSAPWKE-HBFSDRIKSA-N 399.878 3.457 0 1 GGAF CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C 95895894 WDEIHSYLMKRAJI-FDFHNCONSA-N 398.478 3.052 0 1 GGAF COc1ccc(CCN2C=CC=C3C2=Nc2ccccc2NS3(=O)=O)cc1 101627576 ATQMONJUKJKANA-UHFFFAOYSA-N 381.457 3.436 0 1 GGAF COc1ccc(CCO[C@H]2CCCC[C@@H]2N2CC[C@H](OC(C)=O)C2)cc1OC 115041101 RUPYYTQCIFYKNJ-UFYCRDLUSA-N 391.508 3.212 0 1 GGAF O=C(O)CCC/C=C\C[C@H]1[C@H](/C=C/[C@H](O)C2CCCCC2)[C@@H]2O[C@@H]1[C@@H]1O[C@H]21 169360646 BLPTUHHFIMEDBU-HAPXYSAOSA-N 376.493 3.466 0 1 GGAF CC(=O)N1CCN(c2cncc(N3C(=O)c4ccc(Cl)cc4C3(C)C)c2)CC1 220091595 OJUCGPLOGDSVSR-UHFFFAOYSA-N 398.894 3.299 0 1 GGAF O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@]12c1cccnc1 299820088 DOVJMRXAFLLZLY-JOCHJYFZSA-N 391.377 3.173 0 1 GGAF N=c1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c[nH]1 587167044 GCBMUEUHIPQETK-UHFFFAOYSA-N 389.437 3.039 0 1 GGAF O=C(Cc1ccc2c(c1)OCO2)c1c(CO)oc2cc(Br)cnc12 587273912 PYMLRCHVBYOMFE-UHFFFAOYSA-N 390.189 3.237 0 1 GGAF COC(=O)C1CCN(C(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587516122 YCDLXRBIYOFMAU-QHCPKHFHSA-N 399.487 3.091 0 1 GGAF O=C1CCC2(CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)N1 587591707 DMWDCXOEVAAOQI-XTWGIRIWSA-N 379.412 3.315 0 1 GGAF COc1cccc2cc3c(nc12)[C@]1(NCC3)C(=O)[C@@]2(C(=O)O)CC[C@@]1(C)C2(C)C 963056779 MPBVTCZAUPTNNX-ZRBLBEILSA-N 394.471 3.064 0 1 GGAF Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1 1772623692 QWCISVWXSDZQTF-UHFFFAOYSA-N 385.427 3.327 0 1 GGAF O=C1Nc2cccc(Cl)c2C12CCN(c1nc(O)c3c(n1)CCCC3)CC2 1857543700 KXVJOZBQCTUYNT-UHFFFAOYSA-N 384.867 3.205 0 1 GGAF 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CO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1ccc(Br)cc1 103629934 CWNYZIMWALLJRU-SAIXKJTDSA-N 392.209 3.304 0 1 GGAF COc1ccc(CS(=O)(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1O 28965762 UVQBQDKFXFVCHK-BQYQJAHWSA-N 394.445 3.012 0 1 GGAF COc1ccc(CN2C[C@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cc1 2356498322 REERJLCANUDEER-CTNGQTDRSA-N 378.472 3.474 0 1 GGAF COc1cc(O)c(Cl)c2c1C(=O)O[C@H](C)CC[C@H](O)CCCCC(=O)C2 2356581157 NCXOJEYZRDHVQA-VXGBXAGGSA-N 384.856 3.426 0 1 GGAF NC(=O)C1CCN([C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)CC1 21538419 YJMUBZSVJZEBJR-SFHVURJKSA-N 380.423 3.162 0 1 GGAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)cc2F)CC1 216304120 GYDFZOLGMQYXEO-UHFFFAOYSA-N 385.892 3.462 0 1 GGAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)O1 40423213 PKQRERMTLUUXPF-RUEYPURISA-N 386.366 3.356 0 1 GGAF Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccccc1)CC3 82196045 PWMNNLQOJORIJE-UHFFFAOYSA-N 384.439 3.127 0 1 GGAF CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)c(F)cc(C3CC3)c21 45258256 SMHGGPUELUHOHO-UHFFFAOYSA-N 393.355 3.354 0 1 GGAF CCCS(=O)(=O)N(C)Cc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N)CC2 142605202 GGRCQDDVIQCLOA-VXKWHMMOSA-N 386.561 3.458 0 1 GGAF O=C(NCc1ccccc1)[C@H]1c2ccccc2OCC(=O)N1Cc1ccco1 95605699 DTYLQRJGMIWVRK-OAQYLSRUSA-N 376.412 3.058 0 3 GGAF c1ccc2[nH]c(N3CCC(Oc4nccnc4C4CCOCC4)CC3)nc2c1 96168969 OHPRAKKRVBCVHW-UHFFFAOYSA-N 379.464 3.295 0 1 GGAF O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1ncccc1O 653852790 BQTFLGSTZRWVCK-UHFFFAOYSA-N 393.786 3.494 0 1 GGAF CSc1ncc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(=N)[nH]1 587845104 MVYQMWMVCNTJJC-VPTHRUTESA-N 397.317 3.310 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(N)c(N)c21 587390663 PMPNKERTZWHXDF-HSZRJFAPSA-N 385.423 3.195 0 1 GGAF COC(=O)[C@@H]1CSCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587858618 SCZNMKNIVKBBIO-RVIYUIFMSA-N 388.302 3.244 0 1 GGAF NS(=O)(=O)c1cccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587134815 PBHNVGYJQRZOPC-PLNGDYQASA-N 389.305 3.076 0 1 GGAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CC2=O 587474205 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COc1ccccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 4101721 GQZQMGLRYXMHCT-QGZVFWFLSA-N 392.452 3.016 0 3 GGAF CN(C)c1ncc2nc(-c3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2n1 4238915 XMIQYXLTOXWIJF-UHFFFAOYSA-N 375.407 3.107 0 1 GGAF COc1cc(C(=O)c2ccc3c(ccn3CCC(=O)O)c2)cc(OC)c1OC 28710803 YRCRFJSDTQZPTF-UHFFFAOYSA-N 383.400 3.373 0 1 GGAF CN(C)C(=O)COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103243529 ZHHFJFCUBIQSQL-UHFFFAOYSA-N 387.819 3.492 0 1 GGAF COc1cccc(CNC(=O)COC(=O)C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)c1 102236794 IXALBORILLSDBP-RKAKKKFESA-N 391.895 3.432 0 1 GGAF COc1cc(-c2c3c(c(O)c4cc5c(cc24)OCO5)OCC3=O)cc(OC)c1O 2356784337 OEQUUHXKRMMSOQ-UHFFFAOYSA-N 396.351 3.239 0 1 GGAF NC(=O)C1(c2ccccc2CCc2nc(Nc3ncco3)ncc2Cl)CC1 211085639 SFMZLILRNZSYMD-UHFFFAOYSA-N 383.839 3.164 0 1 GGAF CC(C)n1c(=O)c(NCc2ccccc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205088 DUBYVWLOCMKAKC-IBGZPJMESA-N 390.487 3.240 0 1 GGAF Cc1ccc(N2C(=O)O/C(=C\c3ccc(O)c(Br)c3)C2=O)cn1 84634110 XUSSVFVUVAQQQW-AUWJEWJLSA-N 375.178 3.382 0 1 GGAF 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GGAF COc1ccc(OCc2cc(C(=O)N3CCC[C@@H](CO)C3)no2)c2ccccc12 12314026 BERRTVYKIYHINB-OAHLLOKOSA-N 396.443 3.260 0 3 GGAF CCCn1c(=O)c2c(nc3[nH]c(-c4ccccc4)cn32)n(Cc2ccccc2)c1=O 13648049 UEXAJGWZPXRZGA-UHFFFAOYSA-N 399.454 3.264 0 1 GGAF NCCc1cn(S(=O)(=O)c2ccccc2Br)c2ccccc12 14975899 PVHIPYYQTNZMGX-UHFFFAOYSA-N 379.279 3.142 0 1 GGAF NCC1CCN(c2cncc(-c3n[nH]c4cnc(-c5cccnc5)cc34)c2)CC1 205242507 XXPWKKUKPXAQSQ-UHFFFAOYSA-N 385.475 3.257 0 1 GGAF COc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)Nc2ccccc2)C3)cc1 3955820 LTWAGBHJGXHFHL-UHFFFAOYSA-N 379.460 3.465 0 1 GGAF COc1ccccc1Nc1oc2cc(=O)ccc-2cc1C(=O)NC[C@H]1CCCO1 4092764 BBNPKZFKUXHAED-MRXNPFEDSA-N 394.427 3.406 0 3 GGAF O=C(c1cc2c(=O)oc3ccccc3c2s1)N1CCN(c2ccccn2)CC1 4100432 MDLXOPSDLJMOHD-UHFFFAOYSA-N 391.452 3.365 0 3 GGAF O=c1[nH]c(=O)n(CCCCN2CC=C(c3ccccc3)CC2)c2cccc(F)c12 6579056 PNPFDRCIGCUCMN-UHFFFAOYSA-N 393.462 3.398 0 1 GGAF in-vivo Cc1ccc(S(=O)(=O)N2CCC(n3c(C)nc4cccnc43)CC2)c(C)c1 8599213 XZOLSODVCAYETI-UHFFFAOYSA-N 384.505 3.382 0 1 GGAF 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CC(C)[C@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(NC(=S)NCc3ccccc3)C(=O)[C@@H]12 45291741 AMYFASUDBOAVHW-ZYOFANERSA-N 397.544 3.179 0 1 GGAF Cc1c(C(=O)NCCc2ccccc2)[n+](=O)c2cc(C(F)(F)F)ccc2n1O 49125291 FSGQGGHTCQBZCJ-UHFFFAOYSA-O 392.357 3.093 0 1 GGAF CCC[C@@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 82196291 HNZOIKGEPIUFCV-CYBMUJFWSA-N 398.532 3.235 0 1 GGAF COc1ccc(CN2C(=O)c3ccccc3[C@H]2c2nnnn2C(C)C)cc1OC 199224654 DWCRNBDCXPJJCA-IBGZPJMESA-N 393.447 3.017 0 3 GGAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3nc4ccccc4nc3C)C2)cc1 142232331 SJKNRLGGOHRYHK-AWEZNQCLSA-N 376.460 3.403 0 1 GGAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H](CO)C(C)C)cn1 142654663 ILXKERGLPHVXND-LJQANCHMSA-N 395.459 3.371 0 1 GGAF CO[C@@H]1O[C@]23CC(=O)[C@H]4[C@]5(C)CCC(=O)[C@@]5(C)CC[C@@]41[C@@H]2CCC(=O)C3(C)C 255194226 ALUMZZCQCVEYER-BDCMJAOXSA-N 388.504 3.478 0 1 GGAF CC(=O)N(C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(C)=O 587339112 RHBXDLYYQXKXDK-TZIWHRDSSA-N 385.391 3.044 0 1 GGAF CCN=c1cc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc[nH]1 587923619 AUXCYCBRVFCMBA-UHFFFAOYSA-N 388.518 3.122 0 1 GGAF Cc1ccnc2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12 587170455 DBHCXNNHRHTHQV-GOSISDBHSA-N 396.447 3.473 0 1 GGAF COc1cc2c3c(c1)OC1(CCN(C(=O)c4ccccc4C)CC1)[C@@H](C2)C3=O 587438871 RRXRBUSFZRYGJY-SFHVURJKSA-N 377.440 3.426 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2c1 587243183 CTRBPYRCIOANKO-OUKQBFOZSA-N 398.488 3.245 0 1 GGAF Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3cccnc3N(C)C2=O)c1 13732972 ZOQCSOFSLFDFSK-HXUWFJFHSA-N 399.454 3.352 0 1 GGAF Cc1nc2cnccc2n1CC1CCN(C(=O)[C@H](C)c2ccc(N)cc2)CC1 13863935 CUODURPWOISAGT-OAHLLOKOSA-N 377.492 3.364 0 1 GGAF O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCCCC1 169704223 RFEWPNNVHIQMAM-GOSISDBHSA-N 394.454 3.231 0 1 GGAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCCC2)n2c1COCC2)c1ccccc1 205569494 HBJWVPFLEWTAPN-GOSISDBHSA-N 381.476 3.135 0 1 GGAF CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 767313 GHKIVVYJKYPADF-PZJWPPBQSA-N 396.487 3.312 0 1 GGAF CC(C)OCN1Cc2c(c3c(c4c2=c2ccccc2=N4)N=c2ccccc2=3)C1=O 2356423211 RAKIBTUIHGADFA-UHFFFAOYSA-N 381.435 3.128 0 1 GGAF CC(=O)Nc1ccc(NC(=O)C[C@H]2SC(Nc3ccccc3)=NC2=O)cc1 2483415 FGPRBZQLCIPQIV-MRXNPFEDSA-N 382.445 3.084 0 1 GGAF CC(C)NC(=O)c1cnc(N2CCN(c3ccccn3)CC2)c2ccccc12 4101431 VLLYOPWHMGRPFM-UHFFFAOYSA-N 375.476 3.095 0 3 GGAF Cc1ccc2nc(C[C@H]3CN(Cc4ccccn4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356319975 XFJISDHIQNIYLY-SJORKVTESA-N 378.476 3.422 0 1 GGAF CC(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1 28473340 NKSBRGGYTJJURD-HSZRJFAPSA-N 393.531 3.161 0 1 GGAF O=S(=O)(c1nccc2sncc12)n1cc(C2=CCNCC2)c2ccccc21 28134359 GRDKGQSOKNBODD-UHFFFAOYSA-N 396.497 3.260 0 1 GGAF N[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@H](NC(=O)Nc2cccc3ccccc23)C1 27994031 LRINXVSRRIIMQL-UWVAXJGDSA-N 380.492 3.080 0 1 GGAF NC(=O)[C@@H](CC(=O)c1csc([C@H]2CCCNC2)n1)Cc1c[nH]c2ccccc12 73164879 YGCUUNIGCRTIFV-UONOGXRCSA-N 396.516 3.008 0 1 GGAF CC(=O)c1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)NC3=O)cc2)cc1 71316213 YCFSPTJFSIBBST-YVLHZVERSA-N 396.424 3.231 0 1 GGAF COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 40575996 OTIFDGAFLVKAPS-SFHVURJKSA-N 399.487 3.391 0 1 GGAF Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCC3)cc2F)cn1 224760152 KMXSCIQOKJJMIQ-UHFFFAOYSA-N 384.436 3.253 0 1 GGAF COc1ccc(CCN2CCn3nc(-c4ccccc4)cc3C2=O)cc1OC 40865232 VYDQILMCHYIASB-UHFFFAOYSA-N 377.444 3.266 0 1 GGAF O=C(CNC(=O)c1ccc(-c2cnco2)cc1)N[C@H]1CCCc2ccccc21 148871576 RSIRXLMZUSFWLF-IBGZPJMESA-N 375.428 3.265 0 1 GGAF O=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1CC1CCCC1)c1ccccc1 95895322 WZLVMEJMLWQZSP-VABKMULXSA-N 378.516 3.436 0 1 GGAF NC(=O)C1CCN(c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)CC1 144759105 WMIPBHQANHVQPJ-IBGZPJMESA-N 376.378 3.167 0 1 GGAF C/C=C(\C)C(=O)O[C@@H]1C[C@H](O)[C@H](O[C@@H](C)CCCCCCC(=O)O)O[C@H]1C 263614366 IARVMWOCDIKRTC-KTIAIGFGSA-N 386.485 3.191 0 1 GGAF in-vitro C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnn2-c2ncccn2)N1 587757931 IAMJYMXOSIDECW-QLJPJBMISA-N 388.244 3.188 0 1 GGAF COC(=O)[C@@H]1C(=O)C[C@]2(C[C@H]1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587805584 HTNRYZCRPNZILV-NNUNUHMHSA-N 398.272 3.106 0 1 GGAF CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(F)ccc21 587568244 GZXKFRYGXFIAEN-AVRDEDQJSA-N 391.354 3.365 0 1 GGAF CCOC(=O)[C@@H]1CSC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587616519 DGPAZRPHHZLNFE-RISOHXOYSA-N 386.425 3.019 0 1 GGAF CCS(=O)(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 587124671 CALLGFAZEATHSD-UHFFFAOYSA-N 376.400 3.297 0 1 GGAF COc1cc2c3c(c1)O[C@H](C1CC4(C1)CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587445298 UNKINIVQQLXDQF-HNAYVOBHSA-N 385.460 3.458 0 1 GGAF COc1ccc(CN2CCOc3ccc([C@@H](O)c4cccnc4)cc3C2)cc1O 11996443 SADVSXMWTSZODT-HSZRJFAPSA-N 392.455 3.272 0 1 GGAF O=C(Nc1ccc(N2CCOCC2)cc1)c1scnc1CCc1ccncc1 14946557 DPGSHJNUIUYMMW-UHFFFAOYSA-N 394.500 3.412 0 1 GGAF COc1ccc(N2C(=O)CN(Cc3ccc(F)cc3F)C2=S)cc1OC 1857639612 POWCHTQPVYJKRC-UHFFFAOYSA-N 378.400 3.116 0 1 GGAF CO[C@H]1OC(=O)C(Br)=C1Nc1ccc(-c2ccc(N)cc2)cc1 1857641172 UTWQQZPGPWQQMP-KRWDZBQOSA-N 375.222 3.484 0 1 GGAF CC(C)CN(CC(C)C)C[C@@H](NC(=O)[C@H]1Cc2ccc(O)cc2CN1)C(C)C 1857750394 OIJWMVXCIPGCJS-FGZHOGPDSA-N 389.584 3.161 0 1 GGAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC 4051598 UQYSELMHEXNYNV-LYKNXKPOSA-N 396.487 3.310 0 1 GGAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O 4274861 FUNHIYOIEIVJNW-AQNXPRMDSA-N 385.508 3.485 0 1 GGAF COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)[C@H]1c1cccs1 9432553 QIKYKESVZGYHBG-RBUKOAKNSA-N 384.501 3.298 0 1 GGAF COc1ccc2c(c1)[C@@H]1NC(=S)N[C@@](C)(O2)[C@@H]1C(=O)Nc1ccc(C)cc1C 100030872 SKGFNVJFCBPWOT-WFXMLNOXSA-N 397.500 3.194 0 1 GGAF O=C(CN1CCC(c2cccc[n+]2[O-])CC1)Nc1cc(Cl)cc(Cl)c1 28604401 IBDHPBPCEWJPJT-UHFFFAOYSA-N 380.275 3.445 0 1 GGAF CC(C)(C)CCN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356530538 FFNZVMCAJGQVGJ-BURNTYAHSA-N 383.536 3.070 0 1 GGAF C[C@@H](c1ccc(Cl)cc1)N1Cc2cncn2[C@H](CC(C)(C)O)S1(=O)=O 62224244 FPYFDKXCMNWPRU-LRDDRELGSA-N 383.901 3.103 0 1 GGAF CN1CCN(C(=O)c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)CC1=O 40934832 OBJLWGWCAHHQSO-UHFFFAOYSA-N 393.270 3.487 0 1 GGAF CCOc1ccc(Nc2c(C)c(N(C)[C@@H]3CCCNC3)nc3ccnn23)cc1 95556761 MQDBEPPETPSXJD-QGZVFWFLSA-N 380.496 3.368 0 1 GGAF CCCOc1ncnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1C 261098809 FWYIHCPICGXREA-OXJNMPFZSA-N 398.507 3.429 0 1 GGAF COc1ccc(-n2c(Sc3nnc(N)s3)nc3ccc(C)cc3c2=O)cc1 299836406 ZTXIJUMMXKVYAT-UHFFFAOYSA-N 397.485 3.288 0 1 GGAF CCOC(=O)N1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342537 FIYXDCHWKPJUGM-RXVVDRJESA-N 385.391 3.491 0 1 GGAF Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2[C@H](C(=O)O)n2cncn2)cc1 587638061 CDDDIFLIGVCVGK-GOSISDBHSA-N 376.372 3.107 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(O)cc2)(C(=O)O)N1 587832880 LABUGLVTMWHFKY-YPMLDQLKSA-N 394.240 3.351 0 1 GGAF Cn1nnnc1COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587517188 IPFXNRPWKVDMNH-FQEVSTJZSA-N 390.443 3.374 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCO)(c2ccc(O)cc2)N1 587824923 DNDQJADISVYNJD-VOJFVSQTSA-N 380.257 3.454 0 1 GGAF Cc1csc([C@](O)(Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)C(F)(F)F)n1 587095198 YXRBMQRQYVXMSG-MRXNPFEDSA-N 398.410 3.022 0 1 GGAF O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 587335805 OYIOHDDDKSNNKD-KNQAVFIVSA-N 398.361 3.236 0 1 GGAF Cc1cnc2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 587171255 NLAVOCGESSFOMK-SFHVURJKSA-N 396.447 3.473 0 1 GGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@@H]1COCCN1C(=O)OC(C)(C)C 587650728 CFDYFYQHUAWDNV-INIZCTEOSA-N 394.493 3.188 0 1 GGAF CCOC(=O)c1n[nH]cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587795730 OJEUZQQWVUKLEN-RTHLEPHNSA-N 382.233 3.112 0 1 GGAF COC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 587774504 VXVXXONWQOVHKJ-XXFAHNHDSA-N 379.229 3.393 0 1 GGAF CC(C)C(C/C=C1\C[C@](CO)(COC(=O)c2ccccc2O)OC1=O)C(C)C 13704112 LOLIYBRBTHMUFG-NAVGAYGYSA-N 390.476 3.472 0 1 GGAF Brc1cccc(CN[C@@H]2[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3C3(OCCO3)[C@H]6[C@@H]52)c1 169295385 WAUBOCWMTBAXMK-WDVIBBPFSA-N 388.305 3.038 0 1 GGAF COc1cc(F)cc(N(CCN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204168329 AJGWZFROWJUKON-UHFFFAOYSA-N 392.438 3.275 0 1 GGAF CC(=O)N1CCC(c2nsc3cc(N=c4[nH][nH]c5cccnc45)ccc23)CC1 1857619424 DUMICWTUDQOWDB-UHFFFAOYSA-N 392.488 3.459 0 1 GGAF CCOC(=O)CCc1nc2nc(N3CCC[C@H]4CCCC[C@H]43)ccc2nc1O 766891 SFBIYFXNTMTPKB-RHSMWYFYSA-N 384.480 3.385 0 1 GGAF Cc1cccc(N2CCN(S(=O)(=O)c3cccc4cccnc34)C[C@@H]2C)c1 4597679 HBWOXSZPJJPTHI-KRWDZBQOSA-N 381.501 3.443 0 1 GGAF O=P(O)(O)C(F)(F)c1ccc2cccc(C(F)(F)P(=O)(O)O)c2c1 27103718 CSBOQDMRHQDOGH-UHFFFAOYSA-N 388.146 3.294 0 1 GGAF N[C@@H](CCc1ccccc1)c1csc(Nc2ccc(C(=O)NCCO)cc2)n1 61926710 VRPPBBLWLKUTPH-SFHVURJKSA-N 396.516 3.241 0 3 GGAF CN(C)CCNC(=O)[C@]1(C)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61897073 SLEVBLQZPQMSSP-IBGZPJMESA-N 393.409 3.139 0 3 GGAF COc1ccc(-c2cc(=O)c3ccc(OC[C@H](O)CNC(C)C)cc3o2)cc1 29563404 WIZWSDWBLIVDBD-MRXNPFEDSA-N 383.444 3.206 0 1 GGAF COCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 61905217 PCDFXQRZYCGJQR-HSZRJFAPSA-N 380.488 3.359 0 3 GGAF COc1ccc(-c2cn(CCC(=O)NCc3ccc(C)cc3)c(CCN)n2)cc1 36383492 RPGALKHLDCMDGV-UHFFFAOYSA-N 392.503 3.075 0 3 GGAF CCCCCNc1ncnc2c1nc(-c1ccc(OC)cc1)n2CCNC(C)=O 82186162 ALDXAAZQDQKKCB-UHFFFAOYSA-N 396.495 3.240 0 1 GGAF COc1ccc(C(=O)[C@H]2NS(=O)(=O)c3cc(C)c(Cl)cc3S2)cc1 40848951 SLSAJEKSLURAGJ-INIZCTEOSA-N 383.878 3.250 0 1 GGAF CCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82208941 MWJIVNYBSDFFHL-GOSISDBHSA-N 376.460 3.047 0 1 GGAF Cc1ccnn1-c1ccc(Cn2cc(C(=O)O)c(=O)c3c(F)cccc32)cc1 45375355 VMLMGFUQZTTZOD-UHFFFAOYSA-N 377.375 3.381 0 1 GGAF CCCCC[C@H](C[C@H](O)CCc1ccc(O)c(OC)c1)SC[C@@H](N)C(=O)O 299853080 FLGFJDUPADXJHD-BRWVUGGUSA-N 399.553 3.178 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(Cc1cc(OC)c(OC)cc1OC)[C@@H](C2)C3=O 587440550 AADCWHQXERKKSU-OYHNWAKOSA-N 384.428 3.470 0 1 GGAF CCOC(=O)C[C@]1(CCOC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595211 KBXLAHPJJJQCFB-NQIIRXRSSA-N 386.400 3.082 0 1 GGAF COC(=O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592798 KNLKJDFCXPTGJG-XMSQKQJNSA-N 376.364 3.422 0 1 GGAF CN(Cc1nc2c(Cl)c(Cl)cnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169733 IYGLMWODGPMPDG-UHFFFAOYSA-N 389.239 3.225 0 1 GGAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@]2(N1)C(=O)Oc1ccccc12 963183122 SIXSSOIYKDSNEH-SUMWQHHRSA-N 397.736 3.120 0 1 GGAF COc1cccc(F)c1C(=O)N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1 1772592672 MZNMYXGGGPPBLG-RYUDHWBXSA-N 398.360 3.406 0 1 GGAF C(=C1\CCCN(c2ccc(C3=NCCN3)cc2)C1)\c1ccc(C2=NCCN2)cc1 5933150 YYVFIGGEWQGLMO-KNTRCKAVSA-N 385.515 3.070 0 1 GGAF O=C(O)C[C@H]1c2ccc(C(F)(F)F)cc2S(=O)(=O)N1Cc1ccccc1 12478421 SUXOOTLMKFRDFL-AWEZNQCLSA-N 385.363 3.426 0 3 GGAF CC/C=C\C/C=C\C[C@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCC(=O)O 4654953 HLOKCEDYFAXGRQ-OUIFLFKJSA-N 378.509 3.375 0 1 GGAF in-vitro CS(=O)(=O)C1(c2cc(C3=CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CC1 1857773898 BGTJHXYQADHXJK-UHFFFAOYSA-N 395.484 3.462 0 1 GGAF O=C([C@@H](c1cccc(O)c1)n1cnc2[nH]ncc2c1=S)N1CCCCCC1 13919627 GUTWXTPQTVNYRP-MRXNPFEDSA-N 383.477 3.186 0 1 GGAF COc1cc(OC)c(NC(=O)CN2C[C@H](c3ccccc3)CC2=O)cc1Cl 4924297 ZOOZDLZJGQVHJF-CQSZACIVSA-N 388.851 3.312 0 1 GGAF Cc1nn(C(=O)c2ccccc2O)c2c1[C@H](c1ccc(O)cc1)SC(=N)N2 6483948 BBTFCDQMNLYHNV-INIZCTEOSA-N 380.429 3.474 0 1 GGAF O=c1[nH]cccc1-c1nc2c(CNCc3ccccc3)cc(-n3ccnc3)cc2[nH]1 28893610 DQYNJCLLBYPLKC-UHFFFAOYSA-N 396.454 3.394 0 1 GGAF CC1(C)CN(C(=O)c2ccccc2)C[C@H]2CN(Cc3ccc(F)cc3)CCN21 2356734339 HOSHGJWZVZASBG-OAQYLSRUSA-N 381.495 3.247 0 1 GGAF CCCC(=O)N1CCC[C@@H](c2cc(C(=O)Nc3ccc4c(c3)OCO4)no2)C1 61929866 IXSQCHAXAZMBOV-CYBMUJFWSA-N 385.420 3.162 0 3 GGAF CC(=O)N1CCN(c2nccc(NC(c3ccccc3)c3ccccc3)n2)CC1 72139892 CCGCMKRPCWRKHM-UHFFFAOYSA-N 387.487 3.347 0 1 GGAF CN(C)[C@@H]1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1 221604113 WQECDONKHCCUIZ-GOSISDBHSA-N 392.478 3.276 0 1 GGAF CCN(CC)CCn1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C 95553456 AFCVRHQPJLQSJS-UHFFFAOYSA-N 394.922 3.493 0 1 GGAF Cc1cccc(-c2nc(CNC(=O)NC(C)C)cn2-c2ccc3c(c2)OCO3)n1 96285315 OXHFQTGEQYRLKA-UHFFFAOYSA-N 393.447 3.179 0 1 GGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)n3)C2)cc1 261076575 BAGHUDLKFIKDCM-MGPUTAFESA-N 396.491 3.120 0 1 GGAF Brc1cccc(CN[C@@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@@H]4[C@@H]2[C@@H]6C2(OCCO2)[C@H]53)c1 261180675 WAUBOCWMTBAXMK-DPSRMBDESA-N 388.305 3.038 0 1 GGAF COc1cc(OC)c(C(c2cc(OC)c(OC)cc2OC)[C@@H](C)O)cc1OC 49807899 FJJBIBNVGUIBAM-GFCCVEGCSA-N 392.448 3.251 0 1 GGAF biogenic Cc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)c3ncoc3C)c(F)c1)C2=O 653693425 IOEUYUGDYKSYAP-UHFFFAOYSA-N 379.347 3.483 0 1 GGAF COC(=O)c1ccc2nc(C(F)(Br)Br)[nH]c2c1OC 587087918 YSGXTXMDZCPUDI-UHFFFAOYSA-N 396.010 3.228 0 1 GGAF Cc1c(Br)cnc2nc(-c3cccnc3SCC(=O)O)[nH]c12 586967347 UUUNESGZPGDWBJ-UHFFFAOYSA-N 379.239 3.268 0 1 GGAF Cc1n[nH]c(C)c1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662123 UXCCUSYZQFVGSV-UHFFFAOYSA-N 376.391 3.425 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2=CC=CN3C=CN[C@H]23)N1 587792606 PLKMEQSMTJYBNI-CNOZUTPLSA-N 376.273 3.494 0 1 GGAF CC(C)(SCC(=O)O)c1nc2ccc(I)cc2[nH]1 586958263 AQEJAYWTLRNDIN-UHFFFAOYSA-N 376.219 3.220 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CS(=O)(=O)c1ccccc12 587609841 AIHHQBNURPDJDW-RXVVDRJESA-N 394.404 3.037 0 1 GGAF O=C(O)c1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1F 587006140 DDTXLFJTLHLYTC-UHFFFAOYSA-N 375.157 3.477 0 1 GGAF COCCCn1nc(C)c2ccc([C@@H](C)N(C(=O)[C@@H]3CCNC3)C3CC3)cc21 1772573303 VMLGMUXMAQTLIO-SJLPKXTDSA-N 384.524 3.043 0 1 GGAF COC(=O)[C@@H]1C[C@]23CCCN4CC[C@@]5(c6ccccc6N(C(=O)OC)[C@]15CC2)[C@@H]43 169371807 SQVLFJQJOPEBAA-JWPNJBJBSA-N 396.487 3.091 0 1 GGAF CN(C)CCN(C)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2 205622904 UAMGBKYYIOOEEZ-UHFFFAOYSA-N 382.489 3.014 0 1 GGAF FC(F)(F)c1ccc(N2CCC(NC(=S)Nc3cccnc3)CC2)nc1 1857614126 SEAJOIXJEANUGR-UHFFFAOYSA-N 381.427 3.451 0 1 GGAF O=C(NCCO)[C@H]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1 101000703 VKIXPTPAIVWSBW-BETUJISGSA-N 381.398 3.478 0 1 GGAF CC[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)[C@@]12C(=O)NC(=O)N=C2O 28128721 QBWALRVIJDSECI-ZDUSSCGKSA-N 393.399 3.187 0 1 GGAF S=C1c2ccccc2O[C@H](CCN2CCOCC2)CN1Cc1ccccc1 26278430 JYESQEPWBJYKLK-LJQANCHMSA-N 382.529 3.348 0 1 GGAF O=C(c1cncs1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1CCCc1ccccc1 29125457 RVNNLBMLDQSSAA-OALUTQOASA-N 397.544 3.414 0 1 GGAF COc1ccc(C(=O)N2C[C@H](F)[C@@H](OCc3nc4ccc(C)cc4[nH]3)C2)cc1 2356305721 ABAXYSOZBFVUMC-LPHOPBHVSA-N 383.423 3.259 0 1 GGAF COc1ccccc1COC(=O)[C@@H]1C=NN2c3cc(Cl)ccc3[N+]([O-])=N[C@@H]12 100930772 AQKFCEWRKDXGMK-CXAGYDPISA-N 386.795 3.448 0 1 GGAF CS(=O)(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2ccccc2Cl)no1 61896454 VDWBWPLRUHYTFP-AWEZNQCLSA-N 383.857 3.067 0 3 GGAF Cc1ccc(CCN2CCN(c3cccc4cc(C(=O)N(C)C)oc34)CC2)nc1 114868859 UYRNUFWWRJXIHU-UHFFFAOYSA-N 392.503 3.203 0 1 GGAF C[C@@H]1CCCC=C[C@H](O)C[C@@H](O)CC=CC=C[C@@H](O)CC=CC=CC(=O)O1 2356484278 OUBHFOBEGNBZID-CGXNFDGLSA-N 376.493 3.136 0 1 GGAF CC(C)[C@]1(O)CC[C@]2(CO1)[C@H]1CCC3=C4[C@H](CC3)[C@@H](C(=O)O)C[C@]42CN(C)C1 2356524463 FYMJJUNOXPGERO-FVOHPSJWSA-N 389.536 3.281 0 1 GGAF CC(=O)OC[C@@]1(O)OC[C@]23CC[C@H]4[C@@H](CC=C5C[C@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 118932718 NMXQNNZLXKLLEI-PKZPLIPCSA-N 390.520 3.188 0 1 GGAF Cn1cc(-c2cnc(N)c(C(=O)NCc3c(F)ccc(Cl)c3Cl)c2)cn1 84688350 DRASYDDXQVRMQD-UHFFFAOYSA-N 394.237 3.440 0 1 GGAF Cc1c(-c2ccc(OCCN3CCN(C)CC3)cc2)[nH]c2ccccc2c1=O 84652818 PWVOIZSOIXOBCQ-UHFFFAOYSA-N 377.488 3.130 0 1 GGAF CCc1cc2c(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc(OC)n2n1 96933390 QOAHYCKNBSEPNZ-UHFFFAOYSA-N 381.219 3.098 0 1 GGAF Cc1cccc(N2CCN(Cc3ccccc3N3CCN(C)CC3)CC2)c1C 621476064 COPZKKICCZREPV-UHFFFAOYSA-N 378.564 3.377 0 1 GGAF O=C(c1ccc(F)cc1)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(F)cc2n1O 653717493 WPOJKOGEUSBRBY-UHFFFAOYSA-N 389.231 3.460 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C)(Cn1c(=O)oc(=O)c3ccccc31)CC2=O 587489323 UPADMGQXCKFYNO-JOCHJYFZSA-N 395.411 3.037 0 1 GGAF NS(=O)(=O)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587074896 FOMHCYJAXSRKIB-QGZVFWFLSA-N 390.896 3.201 0 1 GGAF CCOC(=O)c1oc2ccc(CCc3ccc4c(O)nc(O)nc4n3)cc2c1C 587560389 HAMLUSSFCQCHQO-UHFFFAOYSA-N 393.399 3.453 0 1 GGAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(C(=O)O)c(F)cc3[nH]2)C(F)(F)C1 587132274 OZLFALZIWJXXQK-SECBINFHSA-N 385.342 3.370 0 1 GGAF COC(=O)c1ccnc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587588755 SBFVEVYKLOATDO-AVRDEDQJSA-N 391.379 3.451 0 1 GGAF CCn1nc(CC[C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c2ccccc21 963505372 ADEZSPIXLFWJCU-ROUUACIJSA-N 379.460 3.343 0 1 GGAF Cc1nc(C(=O)NC2CCOCC2)sc1[C@]1(C)CC(c2ccccc2)=NO1 13478228 JWUZAPCXICFUSL-FQEVSTJZSA-N 385.489 3.400 0 3 GGAF CCCS(=O)(=O)c1ncc(CN2CCCCCCC2)n1C[C@H]1CCCO1 15071525 DCOCBHKIWIQCQC-GOSISDBHSA-N 383.558 3.012 0 1 GGAF O=C(NCCc1ccc(NC(=O)N2Cc3ccccc3C2)cc1)[C@@H]1CCCO1 166983076 YJJXSHSRQDICPP-FQEVSTJZSA-N 379.460 3.072 0 1 GGAF C[S@@](=O)c1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)C3CC3)c2)[nH]1 1857618367 SMGQLITWTGOAAG-HHHXNRCGSA-N 384.436 3.364 0 1 GGAF CO[C@@H]1CCCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857755122 IOZVAZDEWBYBFU-FOIQADDNSA-N 388.414 3.071 0 1 GGAF C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 101768201 PTBFHBJQEHQNOR-KYEXWDHISA-N 384.929 3.145 0 1 GGAF CSc1nc(OC[C@H]2C[C@@H]2c2ccccn2)nc(NCc2cnn(C)c2)c1C 114811854 XYAJWZAJFMLNKS-CVEARBPZSA-N 396.520 3.430 0 1 GGAF c1cc(-c2ccc(-c3ccc(C4=NCCCN4)cc3)nn2)ccc1C1=NCCCN1 27640671 XLMRYMSBFQNDAK-UHFFFAOYSA-N 396.498 3.290 0 1 GGAF CN(CCCNC(=O)OCc1ccccc1)CCNC(=O)OCc1ccccc1 26389384 DCNRVCAGSDLUDS-UHFFFAOYSA-N 399.491 3.161 0 1 GGAF CC(C)(C)CNC(=O)c1ccc2c(c1)S(=O)(=O)c1cc(Cl)ccc1C2=O 36389418 LHJGXKDYXPDNMM-UHFFFAOYSA-N 391.876 3.493 0 3 GGAF CC(C)(Cc1ccc(Cl)cc1)NC[C@@H](O)c1cc(O)cc2c1OCC(=O)N2 38279561 JLPFCLPUWJYNLF-QGZVFWFLSA-N 390.867 3.021 0 1 GGAF COc1ccc(CNC(=O)C[C@@H]2CCNC[C@@H]2Cc2cc(C(C)(C)C)on2)cc1 15673253 STAKHROVCZPSGV-ROUUACIJSA-N 399.535 3.455 0 1 GGAF biogenic C/C=C/c1ccc([C@H]2[C@@H](CO)N(Cc3cccnc3)C23CN(C(=O)CC)C3)cc1 95794889 BINPVGQFOHWSLX-YZXKXSJDSA-N 391.515 3.066 0 1 GGAF CN1[C@H]2CC[C@H]1[C@H]1COC(=O)CCSCCC(=O)Nc3ccc(cc3)[C@H]1C2 261135273 LXDSBNMMECZLMT-RDGPPVDQSA-N 388.533 3.262 0 1 GGAF N[C@H](Cc1ccc(I)cc1)c1nc2cc(Cl)cnc2[nH]1 587184733 VBLIDZCSLGDRSV-LLVKDONJSA-N 398.635 3.458 0 1 GGAF N[C@@H](N=O)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587149689 PTDMLBGTBSWVEW-SGTLLEGYSA-N 385.374 3.081 0 1 GGAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cccc(OCc3ccccc3)c2[nH]1 587205083 WZMONOQNRHHYRK-KRWDZBQOSA-N 394.475 3.221 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(N)c2C(=O)c2cccc(N)c21 587392472 ZTESBRJYOGNDOF-HSZRJFAPSA-N 385.423 3.195 0 1 GGAF O=C(OC1C[C@H]2COC[C@@H](C1)N2)c1cn(CC(F)(F)F)c2ccc(F)cc12 1772651507 VFQMLBVVBCMPKZ-FUNVUKJBSA-N 386.345 3.019 0 1 GGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(C)C)c2cn1)c1ccc(F)cc1 1772627690 AJNZTBFZFSNYNN-MRXNPFEDSA-N 386.431 3.427 0 1 GGAF O=C(Cc1cccc(F)c1)N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 12725772 NZPGLIBQCALNJF-OAQYLSRUSA-N 377.406 3.490 0 3 GGAF CO[C@]1(C)OC(=O)C(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1 13488588 PBJWWPFSOCFQEE-LJQANCHMSA-N 376.405 3.059 0 1 GGAF COc1ccc2c(c1)C[C@H](CN1CCN(c3ccccc3OC)CC1)CC2=O 13589193 MQXFERLTNJGIPG-KRWDZBQOSA-N 380.488 3.271 0 1 GGAF CCOc1ccc(-n2c(O)cc(Sc3nnnn3-c3ccccc3)c2O)cc1 169689197 BELAMBGTLPYUDJ-UHFFFAOYSA-N 395.444 3.414 0 1 GGAF CCCC[C@@H](NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)C(N)=O 167968006 PPSLZOXGRKORCD-LJQANCHMSA-N 394.475 3.008 0 1 GGAF O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2cccc(C(F)(F)F)n2)C1 208683560 YEIDLEQRGTVNQJ-UHFFFAOYSA-N 391.328 3.154 0 1 GGAF O=C(N[C@H]1CC[C@@H](CO)CC1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 101656781 DCIAJQYVIKONRS-SAZUREKKSA-N 391.899 3.365 0 1 GGAF COc1cc2oc(=O)cc(COC(=O)/C=C/c3ccc(O)cc3)c2cc1OC 26403300 POCABXHYKKTRMH-VMPITWQZSA-N 382.368 3.272 0 1 GGAF COC(=O)C(=CCCc1ccoc1)CCC=C1CC[C@H](C(C)(C)O)OC1=O 2356719883 JZDFXSMOBHIZBC-GOSISDBHSA-N 376.449 3.495 0 1 GGAF CC(=O)OC[C@@](C)(O)C=Cc1c(O)ccc2c1O[C@@H](c1ccccc1)CC2=O 2356736677 HHIQHUHYZFQZME-IRLDBZIGSA-N 382.412 3.426 0 1 GGAF CCCCCC=CC[C@H](O)[C@H](O)C=C[C@@H]1C[C@]1(O)[C@@H]1CCCCCC(=O)O1 2356804142 XREMQJFWBLOXAM-BFUACXKISA-N 380.525 3.418 0 1 GGAF FC(F)(F)Oc1ccc(Nc2cc(NCCCN3CCOCC3)ncn2)cc1 64549471 OPRIDHBLYKKFCM-UHFFFAOYSA-N 397.401 3.253 0 1 GGAF CC(C)(C)CNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1 223379571 SNEUFRSQAAHWCG-UHFFFAOYSA-N 388.899 3.479 0 1 GGAF O=C(NCc1ccc(OC(F)(F)F)c(F)c1)[C@H]1CCOc2ncsc21 220871338 LMUVWJJNEXSQGT-VIFPVBQESA-N 376.331 3.363 0 1 GGAF O=c1[nH]c([C@H]2CC[C@@H]2c2ncccn2)nc2c1cnn2C1CCC(F)(F)CC1 145053283 LRRFQGYMGYXVHJ-STQMWFEESA-N 386.406 3.321 0 1 GGAF CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](N(C)C(C)=O)[C@H]1OCc1ccccc1 238773901 YRQZLIAFOCVGFS-SSGKUCQKSA-N 399.487 3.007 0 1 GGAF C=C(NC(C)=O)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587203235 KBGZHVHVIMILLP-UHFFFAOYSA-N 390.852 3.124 0 1 GGAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cc(OC)ccc1OC)[C@@H](C2)C3=O 587441584 GAAKNPQYHVXGQU-KSFYIVLOSA-N 398.411 3.220 0 1 GGAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(I)cnc4[nH]1)(C3)C2 587969604 QINVLOMCDMJPHO-VWJBHBPUSA-N 393.228 3.209 0 1 GGAF CC[C@@H](c1nc2cncc(OC)c2[nH]1)n1cc(I)c(C)n1 587184250 GWIRMJJMOZYCNS-NSHDSACASA-N 397.220 3.075 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccc3c(c1)OCCO3)O2 587397981 ZPPCJKNMRWRZNU-GOSISDBHSA-N 377.400 3.445 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1cccs1)C(=O)O 587612211 KZYKYEZZPXVFGB-UZLBHIALSA-N 382.393 3.481 0 1 GGAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccnc(O)c2[nH]1 587168434 VYPMKUNMPIBZJH-UHFFFAOYSA-N 390.421 3.332 0 1 GGAF Cn1c([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cnc1-c1ccccc1 963240282 YZZCHGGPKLGGFE-PZJWPPBQSA-N 384.439 3.324 0 1 GGAF COC(=O)[C@H]1CC2(CC[C@]13NCCc1c(Cl)cc(Cl)cc13)OCCO2 963117223 XVRJSZDKYSNNET-RDTXWAMCSA-N 386.275 3.051 0 1 GGAF CC[C@H](c1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)o1)N(C)C 5831167 KTKMCLNMJFHNPP-BCFZYGEVSA-N 378.542 3.259 0 3 GGAF O=C(O)CC[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)NC1CCCCCC1 13447240 HKEMPECXDJVBST-MRXNPFEDSA-N 380.872 3.142 0 1 GGAF COc1ccc(C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(C=O)c1OC 14612478 VPUFDLFEKYXGRQ-INIZCTEOSA-N 399.443 3.025 0 1 GGAF biogenic CCCC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169360780 ZQHVKFMMNIRWPN-ONBYOPHZSA-N 395.499 3.006 0 1 GGAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@H]1c1ccccc1-n1ccnc1 169714443 LJWDTXDPMYOFDR-AZUAARDMSA-N 395.459 3.447 0 1 GGAF CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCCC3)cc2O1 1857559649 XNKBJGBUELOBBG-UHFFFAOYSA-N 377.448 3.295 0 1 GGAF Cc1nn(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(-c2cc[nH]n2)nc1 1857582121 CGBOMWRTAFBZSY-HZPDHXFCSA-N 392.463 3.141 0 1 GGAF O=C(O)CCCC(=O)Nc1cc(Nc2cccc(Br)c2)ncn1 1857656137 YHWBXXDXRARKGF-UHFFFAOYSA-N 379.214 3.176 0 1 GGAF Cc1csc2nc([C@H](C)NC(=O)CCC(=O)c3cccs3)oc(=O)c12 6523561 WFJPQDCKPRNNCZ-JTQLQIEISA-N 376.459 3.460 0 1 GGAF CC[C@H](CO)Nc1nc(NCc2ccccc2)c2nc(S)n(C(C)C)c2n1 13538289 RSWIQNYVHNSBBM-CQSZACIVSA-N 386.525 3.491 0 1 GGAF COCC[C@H](CC1(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CCCC1)C(=O)O 28641705 CQBVAAQFFFJGPG-BPQIPLTHSA-N 377.456 3.486 0 1 GGAF CCN1C(=O)c2c(ncn2Cc2ccc(OC)c(Cl)c2)N2C1=N[C@@H]1CCC[C@@H]12 28755521 UYMUTYUQFVPDHN-CABCVRRESA-N 399.882 3.166 0 1 GGAF CNC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCC[C@H]2C)C3=O)cc1 59111733 CNMAKXCQNYZOPH-QGZVFWFLSA-N 391.515 3.196 0 1 GGAF CC(C)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1nccs1 71745163 FXURKSYTPOKKRS-FQEVSTJZSA-N 398.488 3.107 0 1 GGAF biogenic O=S(=O)(CC1=NCCS1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 72142505 XBSMMBDQKMONKW-RTBURBONSA-N 386.498 3.091 0 1 GGAF O=C(NCCc1cccc(O)c1)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12 84653331 UJQFOUYJDYVEIK-UHFFFAOYSA-N 376.391 3.442 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(F)c4)cc(O)c31)[C@@H]1CC[C@@H](C2)N1 100633313 KFEHIMNFWIMKCC-LRDDRELGSA-N 386.448 3.205 0 1 GGAF COc1ccc2c(c1)CN(C(=O)NCCCCCCNC(=O)c1cccnc1)C2 166819544 XLWAAJDCEWARCV-UHFFFAOYSA-N 396.491 3.106 0 1 GGAF Brc1cccc(CN[C@H]2[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3C3(OCCO3)[C@H]6[C@@H]52)c1 169295386 WAUBOCWMTBAXMK-GGAOEHQESA-N 388.305 3.038 0 1 GGAF COC(=O)c1ccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1 587036918 BIKBCZQIGCTFDT-JTQLQIEISA-N 397.460 3.097 0 1 GGAF COC(=O)c1cc(Br)c2[nH]c([C@@H](N)c3ccc(F)cc3F)nc2c1 587152008 XRJPQAHEJGPRBT-ZDUSSCGKSA-N 396.191 3.438 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CSc1nnnn1-c1ccccc1)O2 587409739 NZOUYQFSUFGXRO-LJQANCHMSA-N 381.461 3.069 0 1 GGAF Cc1ccn(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587657024 QIDNDPWJCFNZGF-UHFFFAOYSA-N 380.354 3.187 0 1 GGAF O=C(CN1CCCCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657061 RQSZFEYCQUKVSR-UHFFFAOYSA-N 383.398 3.468 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3c(c2)OCCN3C)N1 587773753 KSNMIIPAMUXLNM-DYZYQPBXSA-N 392.272 3.435 0 1 GGAF COC1=C[C@]2(C[C@@H](C(=O)O)C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587810795 LRXCOAKAXVPIAM-NVTQBHAOSA-N 384.245 3.343 0 1 GGAF COC(=O)[C@@H]1SC[C@H](C)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587854050 BENZJZHEFCHULX-AWEWYNMMSA-N 388.302 3.242 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(O)c2c[nH]nc2n1 587866097 FSGNIMXSLVAUED-UHFFFAOYSA-N 390.325 3.329 0 1 GGAF CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C)nc12 653720579 VNPHKYHYGSWGCX-UHFFFAOYSA-N 397.523 3.088 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@@H](c3cccc(OCCn4ccnc4)c3)c3cccc1c32 963037881 YMODSGMKKASEKN-HXOBKFHXSA-N 388.471 3.105 0 1 GGAF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@H](OC(C)=O)CC=C(C)[C@@H]21 2356461049 TURJFYBHQNTMCA-SJGKADBUSA-N 390.476 3.494 0 1 GGAF COc1c2ccoc2nc2c(OC)c(O[C@@H](OC(C)=O)[C@H](O)C(C)C)ccc12 2356464967 GVNWBELMQDFVHC-OXQOHEQNSA-N 389.404 3.283 0 1 GGAF COc1cccc2nc(C[C@@H]3CN(C(=O)C4CCCC4)CC[C@@H]3CC(=O)O)[nH]c12 2356695233 YNGUQQMSIGCVMT-HZPDHXFCSA-N 399.491 3.244 0 1 GGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCC(C)(C)CO)c1 767510 YGGIDOCKCSWIFV-FPOVZHCZSA-N 396.487 3.312 0 1 GGAF Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)NC4CCCCC4)CN3C)n2)cc1 12529743 OYUFASSVVYTRJW-ROUUACIJSA-N 383.496 3.422 0 1 GGAF biogenic NS(=O)(=O)c1ccc(-c2nc(NCc3ccco3)cc(C(F)(F)F)n2)cc1 29132296 DHCKGWRSGKQVAK-UHFFFAOYSA-N 398.366 3.015 0 1 GGAF O=C(NC1CCN(Cc2ccccc2F)CC1)c1cc(=O)c2ccc(F)cc2o1 36351845 RKAQEMTZLXQHBE-UHFFFAOYSA-N 398.409 3.466 0 1 GGAF Cc1cnc(-c2cc(-c3cccnc3)cc3nc(NC(=O)NC4CC4)cn23)nc1 45286570 WKJAKTPELBFZGV-UHFFFAOYSA-N 385.431 3.446 0 1 GGAF O=C(C1CC1)N1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cncnc2)CC1 72185540 LXPGRTPVQBHOIS-SFHVURJKSA-N 390.409 3.139 0 1 GGAF COc1cc2c(cc1OC)-c1ccc(O)cc1[C@@H](NC(=O)C(F)(F)F)CC2=O 84615000 IPTWJNDTHYBOBW-AWEZNQCLSA-N 395.333 3.382 0 1 GGAF Cc1ccc(Cn2cc(C(=O)NC3CCCCC3)c(=O)c3c(C)nn(C)c32)cc1 95594222 RNLCRGRXTZFYLG-UHFFFAOYSA-N 392.503 3.463 0 1 GGAF OC[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(CC3CC3)CCCCN12 95875266 LPVOCHZCCVGHEL-KMDXXIMOSA-N 377.532 3.383 0 1 GGAF CC(C)C[C@H](CNC(=O)Cc1cc[nH]c1)Cc1ccc2c(c1C(=O)O)OCO2 95920999 NTYRVXHMFKAXSQ-HNNXBMFYSA-N 386.448 3.005 0 1 GGAF in-vitro Cc1cc(C)n(-c2nc(Nc3cnccn3)cc(N3CCc4ccccc4C3)n2)n1 95922002 CRGTXSAUQFYFSM-UHFFFAOYSA-N 398.474 3.375 0 1 GGAF CCO[C@@H](C)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@]12CCN(C)[C@@H]3C5 101483192 YLGFGFSODXCCQV-MZERMGDTSA-N 397.515 3.038 0 1 GGAF O=C(Nc1ccc(Cl)c(Cl)c1)NS(=O)(=O)[C@@H]1CCCCCC1=O 103206539 KXEKGCLYMGWLMI-CYBMUJFWSA-N 379.265 3.347 0 1 GGAF CN1C(=O)NCc2c(NC(=O)N[C@@H]3COc4cc(Cl)ccc4C3)cccc21 143445161 LYHWGNYDEXUBFH-ZDUSSCGKSA-N 386.839 3.125 0 1 GGAF Brc1cccc(CN[C@@H]2[C@@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3C3(OCCO3)[C@H]6[C@@H]52)c1 169295383 WAUBOCWMTBAXMK-PLQVUKJCSA-N 388.305 3.038 0 1 GGAF Cc1nc([C@@H]2C[C@@H]2c2nc3cc(F)c(F)cc3[nH]2)cc(-n2nc(C)nc2C)n1 205281057 MTCUVANHCYZQST-NEPJUHHUSA-N 381.390 3.408 0 1 GGAF N#Cc1ccc(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)cc1 205731073 FKXZJNGFUIIZEB-UHFFFAOYSA-N 398.469 3.346 0 1 GGAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccnc(O)c3[nH]2)C[C@H]2CCCC[C@@H]21 586959469 KYLJWAVXYLDOSD-COXVUDFISA-N 398.488 3.358 0 1 GGAF COCCN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346069 RHLJAAFPWYSKGN-FQEVSTJZSA-N 385.435 3.371 0 1 GGAF COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccccc1Br)[C@@H](C2)C3=O 587414956 ZIOCPGIOBCGIRY-KPZWWZAWSA-N 389.201 3.185 0 1 GGAF CCOC(=O)COc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441244 RZKKTFWSMNTWBS-VGSWGCGISA-N 382.412 3.300 0 1 GGAF COC(=O)[C@]1(CC(=O)C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587803744 BWZTVVLUMUKEIC-BMLIUANNSA-N 386.261 3.106 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)N1CCN(C)CC1 587866019 AYUQWYPNDDGOCJ-UHFFFAOYSA-N 382.386 3.183 0 1 GGAF CN(c1ccc(-c2csc(COC(=O)C(C)(C)C)n2)cc1)S(C)(=O)=O 587923674 CTCHJQDQGZEODV-UHFFFAOYSA-N 382.507 3.295 0 1 GGAF Cc1cnn(CCF)c1[C@@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962717971 RETXUFKEIZZIBB-ZIAGYGMSSA-N 389.324 3.007 0 1 GGAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NC[C@@H]2CCCO2)cc1F 1772575777 XPZJAEZVONHCRC-VIFPVBQESA-N 391.877 3.327 0 1 GGAF O=C(N=c1nc2nc(-c3ccccc3)ccn2[nH]1)c1cccc(Br)c1 1857546838 SESNBPLHRPBUPE-UHFFFAOYSA-N 394.232 3.228 0 1 GGAF COc1ccc2c(OCc3nnc4sc(-c5cccn5C)nn34)ccnc2c1 1857769331 VJUVXAOZBPECQC-UHFFFAOYSA-N 392.444 3.327 0 1 GGAF CCC=CC[C@H](O)[C@@H](O)C=CC=CC=CC=C[C@@H](O)CC=CCCC(=O)O 2356345019 IKFAUGXNBOBQDM-HKBOAZHASA-N 376.493 3.461 0 1 GGAF O[C@@H]1CC[C@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNCc1ccccn1 2356380021 OOKCOPOYSPEXHP-KCZVDYSFSA-N 397.450 3.117 0 1 GGAF COc1ccccc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 4101720 GQZQMGLRYXMHCT-KRWDZBQOSA-N 392.452 3.016 0 3 GGAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CCCC3)[C@H](O)[C@H]2[C@H]1C 2356307691 LMRWIHKQDCBGIR-BDEDEIAUSA-N 378.557 3.009 0 1 GGAF O=C(c1cccc2cc[nH]c12)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 116828402 CVEVUCIKZYPPRJ-IAGOWNOFSA-N 383.455 3.320 0 1 GGAF CCOc1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1C(=O)O 27563322 GBGFOIKOHRMVQA-UHFFFAOYSA-N 377.824 3.418 0 1 GGAF CO[C@@H]1O[C@@]23CC(=O)[C@H]4[C@]5(C)CCC(=O)[C@@]5(C)CC[C@@]41[C@@H]2CCC(=O)C3(C)C 2356535465 ALUMZZCQCVEYER-FITMIFOISA-N 388.504 3.478 0 1 GGAF Cc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CC1CC1)CC2 38426499 JTOFAJKSDOSNHT-UHFFFAOYSA-N 393.553 3.432 0 1 GGAF O=C(Nc1ncc(CCO)s1)N1CCC(c2noc3ccc(F)cc23)CC1 218633057 LQJCUFUIVZGFLP-UHFFFAOYSA-N 390.440 3.370 0 1 GGAF CC(=O)Nc1ccc(CN2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)cc1 36385658 VFLSOIADOOGYSM-HSZRJFAPSA-N 381.520 3.022 0 3 GGAF CC(=O)NCCn1c(C2CC2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82221884 YGGOMUCOKZAZTD-UHFFFAOYSA-N 384.871 3.105 0 1 GGAF O=C(Nc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(Cl)c1)c1ccccn1 198412495 LJUABYFUJVRUSJ-GNTOHDJUSA-N 393.830 3.299 0 1 GGAF COc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@@H]4C3=O)c2)c1 141678289 JSFAASBRDOCVHH-NSMLZSOPSA-N 388.423 3.259 0 1 GGAF COc1ccc(CN2CC(=O)N3[C@@H](C)c4[nH]c5ccccc5c4C[C@@H]3C2=O)cc1 26771717 FKLAXTMGRBKEBZ-VBKZILBWSA-N 389.455 3.033 0 1 GGAF biogenic CC(C)(C)[S@@](=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C=O)cc1 299858464 SAEKEXFKKPKBGG-XMMPIXPASA-N 380.491 3.174 0 1 GGAF CC1=C(c2ccc3nc(CCC(=O)Nc4cccc(F)c4)[nH]c3c2)NNC(=O)C1 587163355 PUCGQHLZITVMJT-UHFFFAOYSA-N 393.422 3.029 0 1 GGAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587419849 UNKTZNPDRFLHPV-UGSOOPFHSA-N 389.201 3.185 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](S(C)(=O)=O)C2)N1 587850841 SPAGQYQKPJDNBA-RSAASHCRSA-N 390.318 3.305 0 1 GGAF CCOC(=O)c1cc(Br)c2nc(-c3c(N)cncc3OC)[nH]c2c1 587252343 CNFUARXSYBOCDY-UHFFFAOYSA-N 391.225 3.155 0 1 GGAF CC(C)(C)OC(=O)NC1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)CCC(=O)CC1 587234118 GJQWFMUXRVQPRD-UHFFFAOYSA-N 391.399 3.263 0 1 GGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)cc1 586939706 RPRSKPZPENLOII-GTNSWQLSSA-N 387.465 3.030 0 1 GGAF CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=CN1C 587762733 ZZSVGKFBUBBWDA-VVVCHXIZSA-N 381.245 3.135 0 1 GGAF O=S(=O)(O)c1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587231636 CXSKBHDYQZLEKH-UHFFFAOYSA-N 383.429 3.359 0 1 GGAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(C(=N)N)cc2[nH]1 587198345 HKNVOPOWAUWXBF-UHFFFAOYSA-N 384.443 3.373 0 1 GGAF CC(C)(C)c1cccc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c12 587227658 RIQXFRRJRSZMST-UHFFFAOYSA-N 394.475 3.403 0 1 GGAF COc1cc(I)c([C@H]2NCCc3cc(C)c(F)cc32)cn1 962377786 SJAWJWLIZHJENC-INIZCTEOSA-N 398.219 3.377 0 1 GGAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@@H](O)[C@@]2(O)C(C)=O)C1 169302586 RRDIUAREQABZFO-URVJLLIHSA-N 392.536 3.252 0 1 GGAF COc1nc(Br)cnc1NS(=O)(=O)c1cccc2ccccc12 13761377 SNZBYFGGSSWJKY-UHFFFAOYSA-N 394.250 3.202 0 1 GGAF OC1(CNCc2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 13743418 HSZOPHZEDKYUMI-UHFFFAOYSA-N 381.495 3.466 0 1 GGAF COc1ccccc1C1=C(Nc2cc(Cl)c(O)c(Cl)c2)C(=O)NC1=O 14946007 PYBQDPOCAWUSJF-UHFFFAOYSA-N 379.199 3.187 0 1 GGAF CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)OCC)ccc3C)c2c1C 14974285 TXYONQXEBANMAS-UHFFFAOYSA-N 396.451 3.408 0 1 GGAF Cc1cc2ccccc2n1CCNC(=O)c1ccc(-n2nn[nH]c2=S)cc1 169351809 QXUREXUSVFWTPM-UHFFFAOYSA-N 378.461 3.018 0 1 GGAF CC[C@@H](C)O[C@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 169369149 WSZQVSPKYXOCEM-IOASZLSFSA-N 380.876 3.479 0 1 GGAF Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 58512441 NHOWYIJXIKWIQJ-SFHVURJKSA-N 377.510 3.187 0 1 GGAF CNC[C@@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl 103213849 LZEQJWFHDBXOGN-GOSISDBHSA-N 393.274 3.484 0 1 GGAF CC(C)(O)c1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1 117582131 KMJCJWMHGBJJIG-UHFFFAOYSA-N 383.492 3.425 0 1 GGAF COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CC2)[C@H](CO)N3C)cc1 95877450 QTNUUMMEOUFNGW-WTIAFYNJSA-N 392.499 3.473 0 1 GGAF COc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C 587554910 YFDNMQNAJACLTQ-GUYCJALGSA-N 386.791 3.491 0 1 GGAF COC(=O)C[C@]1(c2ccncc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587778216 LQNWFGHYUSLLCW-BBATYDOGSA-N 393.256 3.324 0 1 GGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(O)cc1)C(=O)O 587612389 UTPOYHSNBBEYCZ-GCJKJVERSA-N 392.363 3.126 0 1 GGAF C=CN1CC[C@@H]([C@@]2(CSC)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587491126 ITNSBARTYROYPY-QRWLVFNGSA-N 375.490 3.404 0 1 GGAF COC(=O)c1ccnc2[nH]c(CSc3nnc(-c4ccc(C)cc4)n3C)nc12 586965169 FZYLSIKLVVTAQZ-UHFFFAOYSA-N 394.460 3.141 0 1 GGAF COc1cc(Br)cc(C=O)c1OCc1nc2ccnc(OC)c2[nH]1 586980604 YOBFXIHEGJIOEZ-UHFFFAOYSA-N 392.209 3.129 0 1 GGAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C)c(S(N)(=O)=O)c1)CC2=O 587483937 GNUXQHRZRHHWNO-HXUWFJFHSA-N 389.473 3.181 0 1 GGAF COc1cc(C[C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)ccc1O 962982974 XTLYHQPCNKZJJJ-ORAYPTAESA-N 397.805 3.389 0 1 GGAF CCOc1ccccc1Oc1coc2c(CN3CCOCC3)c(=O)ccc-2c1O 5574432 NYJJQHIGXRPTSM-UHFFFAOYSA-N 397.427 3.473 0 1 GGAF biogenic CCN(CC)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O 11814900 CBLIMCTYVLUXLG-HSZRJFAPSA-N 378.472 3.239 0 1 GGAF CC(=O)N1CCC[C@@H](Nc2nc(C)ccc2-c2cnc3[nH]cc(Cl)c3n2)C1 168485949 JXUVCKRLKKIQLV-CYBMUJFWSA-N 384.871 3.405 0 1 GGAF COc1cccc(-c2cccc(NC(=O)CCc3cccc4c3B(O)OC4)c2)c1 1857534646 UMFPLKZKLSSWBR-UHFFFAOYSA-N 387.244 3.151 0 1 GGAF Nc1ccc2oc(N3CCN(Cc4ccc(Br)cc4)CC3)nc2c1 1857573779 VZWUGIYWZYTICV-UHFFFAOYSA-N 387.281 3.495 0 1 GGAF Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(OC(F)F)nc4)C3)ccc2n1 1857762881 BHLXFQOKIUETJC-UHFFFAOYSA-N 398.413 3.467 0 1 GGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCC(C)(C)CO 770932 KUPJLBGRSUDPBM-PZJWPPBQSA-N 396.487 3.312 0 1 GGAF CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)N(CC)CC)c32)cc1 6916287 LJLRGXFWFWYSHD-UHFFFAOYSA-N 380.492 3.235 0 1 GGAF CC(C)N1C(=O)COc2cc(CN3CCN(c4ccc(F)cc4)CC3)ccc21 103249218 KSVUHIVFVBDKHK-UHFFFAOYSA-N 383.467 3.282 0 1 GGAF NC(=O)c1sc(N)c(C(N)=O)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 101995210 FYGQTFXTSXVWRJ-UHFFFAOYSA-N 397.300 3.233 0 1 GGAF CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cccc2C=O)CC1 27981269 MMJIRQOFPSZYOC-UHFFFAOYSA-N 397.519 3.225 0 1 GGAF Cn1ccnc1CN1C[C@H](F)[C@@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 2356474021 YYOUCYJMORMNIC-WFASDCNBSA-N 397.376 3.054 0 1 GGAF O=C(Nc1cc(Cl)ccc1O[C@@H]1CC[C@@H](CO)C1)c1cnn2cccnc12 113650441 VVZAHEJDBWZSBS-TZMCWYRMSA-N 386.839 3.175 0 1 GGAF COc1ccc(C(=O)N2CCC[C@@]2(C)C(=O)NCC(C)C)cc1C(F)(F)F 61907607 ZVZIEILEMJTHJV-SFHVURJKSA-N 386.414 3.481 0 3 GGAF CC(=O)N[C@@H](c1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 61906900 DVBQMXSSPIFFBV-SFHVURJKSA-N 386.498 3.439 0 3 GGAF CN(C)c1ccccc1C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O 33819344 ZIXKTTIVMNOVSV-JOCHJYFZSA-N 398.466 3.298 0 1 GGAF COC(=O)c1cccc(C2=CN3C(=O)c4cc(OC)c(OC)cc4N=C[C@@H]3C2)c1 49803433 AINPAHAZISDMPJ-INIZCTEOSA-N 392.411 3.462 0 1 GGAF Cc1c([C@H]2NS(=O)(=O)c3ccccc32)c2cc(Cl)ccc2n1CC(=O)O 49035511 MQFYWGYSTUZJSG-SFHVURJKSA-N 390.848 3.069 0 1 GGAF CCOc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C(C)C)n2)cnc1N 146265603 CTGRJBNLVMZPNP-UHFFFAOYSA-N 385.512 3.085 0 1 GGAF COC(=O)c1cccc(-c2cc(C(=O)Nc3ccncc3F)ccc2CN)c1 96286489 QZXGEBGSZFKWLS-UHFFFAOYSA-N 379.391 3.385 0 1 GGAF CC[C@@H](C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@]2(O)CCC[C@H](C)[C@@]12C 95913584 UDVLOCQBYDZUGP-UKBKYHPRSA-N 380.481 3.121 0 1 GGAF biogenic,in-vitro O=C(c1cc(Cl)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CC(CO)C1 144805030 NPSCMZDUBMOHCJ-GOSISDBHSA-N 397.780 3.183 0 1 GGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCc5cccnc5C4)ncc23)ccn1 261164483 ROIDHARUBAPCGI-MRXNPFEDSA-N 399.458 3.402 0 1 GGAF COC(=O)CC[C@H](N)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587258480 LCJXKIRNGWSDBK-ZETCQYMHSA-N 380.164 3.297 0 1 GGAF COC(=O)c1ccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 587092975 CBSCXMCULFOZJI-HNNXBMFYSA-N 385.367 3.107 0 1 GGAF COc1ccc(CN2CC[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)CC2=O)cc1 587394761 ISVFPKKLZLLEDK-JOCHJYFZSA-N 380.444 3.112 0 1 GGAF N[C@@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(Br)cc1F 587144342 MDQKLPNMUGPGGW-JTQLQIEISA-N 390.216 3.289 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc(OC(F)(F)F)cc41)[C@@H](C2)C3=O 587422632 PKGMSUURBBRNMC-KPZWWZAWSA-N 391.301 3.189 0 1 GGAF COCCN1C(=O)CC[C@H](c2nc3ncc[nH]c-3n2)[C@H]1c1ccccc1Cl 587063550 VUWQBVXHRKHWJW-XJKSGUPXSA-N 385.855 3.052 0 1 GGAF C=CC(=O)Nc1ccc(-c2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)cc1 587245128 YARIAGJBKSCEMZ-UHFFFAOYSA-N 398.488 3.385 0 1 GGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(O)c2[nH]1 586935385 GUQWCJHDBVXGLG-AWEZNQCLSA-N 377.491 3.041 0 1 GGAF O=C(NCCc1ccccc1)c1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1 1772630399 YUSNFTGATCSSBA-UHFFFAOYSA-N 398.470 3.451 0 1 GGAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C3(O)CCCC3)ncc12 1772645726 GBULKJKHYXAIOT-KRWDZBQOSA-N 381.436 3.134 0 1 GGAF O=C(Nc1ccc2c(c1)CN(Cc1ccc3c(c1)OCCO3)CC2)[C@@H]1CCCO1 12714356 CFSJWMBHANAVFZ-NRFANRHFSA-N 394.471 3.134 0 1 GGAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 14952571 GTMOGHHWTKSVCD-MQJTVSLUSA-N 377.506 3.257 0 1 GGAF in-vitro CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc([C@H](O)CO)cc21 1857578102 VAKHLEFHCGPCBJ-JOCHJYFZSA-N 388.467 3.366 0 1 GGAF Cc1cc(C(=O)N[C@H]2CCCOC2)n(Cc2csc(N3CCCCC3)n2)c1 1857615844 PURCENBDLMFFPC-INIZCTEOSA-N 388.537 3.200 0 1 GGAF C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4206238 LOTZTURGWJIAKW-XZOAIXRZSA-N 375.856 3.091 0 1 GGAF COc1ccc2c(c1O)[C@]13CCN(C)[C@@H](C2)[C@]1(O)C[C@H]1c2ccccc2N[C@@H]1C3 101365780 IHRCRJPSYSWXEH-ABALLDKZSA-N 392.499 3.002 0 1 GGAF CC(C)(C)c1cnc(CSc2cnc(NC(=O)CCCC(=O)NO)s2)o1 59149929 CNNOAGXHCAVQKZ-UHFFFAOYSA-N 398.510 3.335 0 1 GGAF COc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@H]2N3)c1 116589876 ADFGBBCROKWRPS-SCLBCKFNSA-N 382.485 3.369 0 1 GGAF COc1ccc(OC[C@H]2c3ccc(OC)cc3CC(=O)N2CCCN(C)C)cc1 1911581226 MMZKPVCTUYKFKI-QFIPXVFZSA-N 398.503 3.160 0 1 GGAF CNCCN(C)C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72181217 FQITYSWOYRJNCC-CYBMUJFWSA-N 395.347 3.457 0 1 GGAF Cc1ccccc1N1c2cc(Cl)ccc2S(=O)(=O)c2c(N)nc(N)nc21 40937829 XPAQEKSRVOGPTG-UHFFFAOYSA-N 387.852 3.219 0 1 GGAF CCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205020 WGRDGXQXNVQJMN-IBGZPJMESA-N 390.487 3.069 0 1 GGAF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(OP(=O)(O)O)c1 45245674 TYTUTVRPLAQXFF-WAYWQWQTSA-N 396.332 3.363 0 1 GGAF CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 80597580 QRJOQYLXZPQQMX-IBBWCGSGSA-N 390.520 3.317 0 1 GGAF NC(=O)c1cccc2c1C(=O)N(CCCN1CCC(Cc3ccccc3)CC1)C2 143727760 XURWTHPKVQLLQP-UHFFFAOYSA-N 391.515 3.086 0 1 GGAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5ncccc54)ccc31)[C@@H]1CC[C@H](C2)N1 96175242 BRAKEXHXQMNJDV-DYVFJYSZSA-N 392.484 3.114 0 1 GGAF C[C@H]1COCn2nncc2CC[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N1 95661369 JXGXIRMIHZGELK-UWJYYQICSA-N 390.487 3.229 0 1 GGAF C[C@]12CCCO[C@@H]1[C@]1(CSC(N)=N1)c1cc(-c3cccnc3F)ccc1O2 299839193 RXAQLIJYNSBTGG-IHPCNDPISA-N 385.464 3.475 0 1 GGAF NS(=O)(=O)c1cccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587195963 LAGOYFNQLSMJBX-UHFFFAOYSA-N 392.484 3.417 0 1 GGAF NC(=O)c1cccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c12 587019674 TXYIFXBOYMUOKP-UHFFFAOYSA-N 392.444 3.353 0 1 GGAF CCCc1c(O)ccc2c1O[C@H](c1cc(S(C)(=O)=O)ccc1O)CC2=O 587488865 RXLQKMNKJIRKLM-SFHVURJKSA-N 376.430 3.160 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)CCO)nc2)N1 587740886 LIDAVZKDNREBDT-ADLMAVQZSA-N 394.288 3.035 0 1 GGAF CCOC(=O)[C@@]1(CC(=O)C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799674 UDALPMKAIBPTID-YPMLDQLKSA-N 398.272 3.250 0 1 GGAF COc1ccc2c(n1)NCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592913 IGCGBNHCIICZRC-XMSQKQJNSA-N 390.395 3.469 0 1 GGAF COc1ccc(OC)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1OC 587927659 SAHXGWBTAHPSHV-UHFFFAOYSA-N 383.448 3.088 0 1 GGAF C[C@@]1(c2ccc(-[n+]3cc(=O)o[nH]3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511825 JHVLCIWKNYGCJP-QFIPXVFZSA-O 377.420 3.004 0 1 GGAF Cc1cc2c(cc1O)[C@H](c1csc(COc3ccccc3)n1)N[C@H](C(=O)O)C2 963493435 WBNQPHYWUVLTBJ-OXJNMPFZSA-N 396.468 3.424 0 1 GGAF COc1ccc2c(c1OC)[C@@H](c1ccc(Br)nc1N)N(C)[C@H](C)C2 962567761 JWMBMXMWDCWVPL-QLJPJBMISA-N 392.297 3.409 0 1 GGAF N[C@@H]1Cc2ccccc2[C@]12N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963175706 MITIIIIUHUVQSZ-LZLYRXPVSA-N 396.796 3.085 0 1 GGAF Cn1c([N+](=O)[O-])cnc1-c1nnc(SCc2ccccc2[N+](=O)[O-])s1 34074160 OCBJICRASRSPQP-UHFFFAOYSA-N 378.395 3.047 0 1 GGAF Oc1cc(N2CCN(CCc3ccccn3)CC2)c(O)n1-c1ccc(Cl)cc1 169687432 QPTKGQOAOKAGAC-UHFFFAOYSA-N 398.894 3.302 0 1 GGAF OC[C@@H]1CCCCN1c1nc2ccccc2c(=NCCc2ccccc2F)[nH]1 1857547976 SWWJEWNDUOAVLA-KRWDZBQOSA-N 380.467 3.197 0 1 GGAF CCN(CC)CCCOc1ccc(Nc2nccc(N3CCN(C)CC3)n2)cc1 1857592679 XXOSJYWXOUHDOG-UHFFFAOYSA-N 398.555 3.083 0 1 GGAF COc1cc(N2C(=O)CN(Cc3ccc(F)cc3F)C2=S)ccc1N(C)C 1857759979 DILWMRFGUADZOH-UHFFFAOYSA-N 391.443 3.173 0 1 GGAF CC(=O)O[C@@H]1[C@@H]2[C@H](C)c3ccoc3C[C@@H]2[C@]2(C)CCCC(C)(C)[C@@]2(O)[C@@H]1O 2356425197 ACCJIJJOPXNXTB-YNQWETOBSA-N 376.493 3.425 0 1 GGAF CC[C@@H]1C[C@H]2C[C@H]3C4=Nc5ccc(OC)cc5[C@]4(O)CCN([C@@H]13)[C@@H]2CC(C)=O 2356394403 BJSOUJIBHFZILQ-KPVABMAFSA-N 382.504 3.457 0 1 GGAF CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 28710601 NBKGUPAYHLZPHD-UHFFFAOYSA-N 396.572 3.494 0 1 GGAF COCC(=O)N(c1ccc(Cl)nc1)C1CCN(CCc2ccccc2)CC1 27734073 LAXQYQGOUJXZFP-UHFFFAOYSA-N 387.911 3.422 0 1 GGAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ccccn4)C[C@H]3C2)n1 116825075 IBTOYHUCRVSPJX-OALUTQOASA-N 399.498 3.364 0 1 GGAF CCCN1Cc2cccc(C(=O)Nc3ccc(CN4CCOCC4)cc3)c2C1=O 20216252 WBAUXIGUMORBKV-UHFFFAOYSA-N 393.487 3.137 0 1 GGAF COC(=O)[C@@H]1CC(=O)N(c2cccc(OCc3ccc4ccccc4n3)c2)C1 27325695 VQGIRZMLBWFEEP-MRXNPFEDSA-N 376.412 3.340 0 1 GGAF CC1(C)CCC(NC(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(Cl)c2)CC1 27209264 DZPZELCMOBVEOB-INIZCTEOSA-N 394.899 3.388 0 1 GGAF COc1cc(CO)cc2c(-c3ccc4c(c3)[C@@](C)(O)N[C@@H](C)C4)ccc(O)c12 2356709014 LGSVTHSJPJSFKH-ZAMGYDSWSA-N 379.456 3.413 0 1 GGAF COc1cc2c(c(OC)c1OC)CCN1C(=O)c3c(ccc(OC)c3OC)C[C@H]21 14765563 BDKSVKIXBUPEFA-OAHLLOKOSA-N 399.443 3.025 0 1 GGAF biogenic O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 82193421 HVBOKZXLZUGYFK-WBVHZDCISA-N 375.469 3.213 0 1 GGAF O=C1NCCc2ccc3c(c21)C[C@H](NCCCc1c[nH]c2ccc(F)cc12)CO3 45386651 BGGVCPBLHFFERX-KRWDZBQOSA-N 393.462 3.119 0 1 GGAF CCN1C(NCCCOC(C)C)=N[C@H](c2ccccc2)[C@@H](C(=O)OC)[C@H]1C 195426102 YDRNLDNTYMCTTD-NZSAHSFTSA-N 375.513 3.002 0 1 GGAF CCNC(=O)Nc1nc2c(-c3ncccc3F)cc(-c3ccc[n+]([O-])c3)cc2[nH]1 142778638 XVUMRTMWRZDOQL-UHFFFAOYSA-N 392.394 3.206 0 1 GGAF O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 299875144 CNVWIPAUAMJMCG-TUNNFDKTSA-N 390.439 3.091 0 1 GGAF Clc1cnc(Cl)c2[nH]c(-c3nccnc3I)nc12 587186832 WFOFXEMFWLBLBL-UHFFFAOYSA-N 391.987 3.326 0 1 GGAF CNS(=O)(=O)c1cc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)n(C)c1 586946728 DTPACFUGCFSVRP-UHFFFAOYSA-N 396.472 3.056 0 1 GGAF COC(=O)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1OC 587005219 CUEUPPMZAHTAIO-UHFFFAOYSA-N 397.616 3.231 0 1 GGAF CC(C)(C)OC(=O)NC1(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CCC(=O)CC1 587234943 ZJYIEIXDRACAGO-HNNXBMFYSA-N 387.440 3.150 0 1 GGAF O=C1COc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 587592834 HLTOQPGJOKKDMY-KNQAVFIVSA-N 389.363 3.426 0 1 GGAF CCOC(=O)c1cnn(-c2ncnc3cc(-c4cccc(OC)c4)sc23)c1N 958064410 SKHVNXDDNFHYJG-UHFFFAOYSA-N 395.444 3.312 0 1 GGAF COc1cc(Br)cnc1[C@@H]1N[C@H](C)Cc2c(OC)ccc(OC)c21 963635109 LLGOBXFTKBBMEF-MLCYQJTMSA-N 393.281 3.494 0 1 GGAF O=C(O)c1cccc2c1CCN[C@@]21C(N2CCOCC2)=CSc2ccccc21 963126723 XIUFIHGCFYVKQY-QFIPXVFZSA-N 394.496 3.053 0 1 GGAF CCOC(=O)C[C@]1(Cc2cccc(C)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962894293 IIFUTTJZPVFKSI-AVRDEDQJSA-N 385.435 3.124 0 1 GGAF CN(C)CCOc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 169316586 QTAKAQIRDZVPTP-UHFFFAOYSA-N 381.867 3.212 0 1 GGAF CCN(C[C@@H](Nc1ccccc(C(N)=O)cncn1)[C@@H]1C=CC=CC1)C(C)C 169700723 FOUODSJMGGENMN-UYAOXDASSA-N 381.524 3.343 0 1 GGAF CN(C)C(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccccc1 207735921 IDETYHWNJKLEFE-FQEVSTJZSA-N 393.487 3.307 0 1 GGAF Cn1cc(-c2n[nH]c3ccc(NCc4cc(F)ccc4S(C)(=O)=O)cc23)cn1 1857602771 VXKMMMZVPVHQBU-UHFFFAOYSA-N 399.451 3.118 0 1 GGAF C[C@@H]1C(=O)N(C)c2ccc(C(=O)N[C@@H]3CCc4ccccc43)cc2N1C1CC1 1857646698 WJEPRLLCPVYJLY-AUUYWEPGSA-N 375.472 3.438 0 1 GGAF CN(C)c1ccc(C(=O)NCCCCN2CC[C@@H](c3cccc(O)c3)C2)cc1 1857756497 UVSNDTNJIHHUPU-HXUWFJFHSA-N 381.520 3.458 0 1 GGAF CC(=O)O[C@@H]1C#CC=CC#CC[C@H]2C(=O)N(C(=O)Nc3cccc4ccccc34)[C@H]12 254088570 NNWHNJLTGPYXGK-FCEUIQTBSA-N 398.418 3.097 0 1 GGAF Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)c2C)no1 3464883 MYPUQEMJBLHGQB-LAJNKCICSA-N 398.463 3.074 0 3 GGAF C[C@@H]1CCCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)C1 4142284 YPDOTTVWNYUIFC-HUUCEWRRSA-N 395.906 3.070 0 3 GGAF Cc1cccc(Nc2ncnc3ccncc23)c1NCCCN1CCOCC1 29133582 IFRKWZRENNXHNA-UHFFFAOYSA-N 378.480 3.211 0 1 GGAF NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccc3c(c2)OCO3)c1 101366385 ITIBCQXWZIYCDK-IZZQQSIFSA-N 380.444 3.089 0 1 GGAF O=C(Nc1ccc(O)cc1)C1=CC2=N[C@H](c3ccco3)C[C@H](C(F)(F)F)N2N1 100443814 FEXNXFOTFBWMTL-SWLSCSKDSA-N 392.337 3.102 0 3 GGAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OCc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 100645127 CODRVQGKDHKTDZ-MXEMCNAFSA-N 379.456 3.438 0 1 GGAF OCCN1CCN(CCCN2c3ccccc3Sc3cscc32)CC1 26964388 RGMAFTIGULYOHG-UHFFFAOYSA-N 375.563 3.351 0 1 GGAF C[C@H](NC(=O)c1ncn(C)c1C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 61949656 UVSLZYYERFLCRI-HOTGVXAUSA-N 376.460 3.402 0 3 GGAF CC(C)(CNC(=O)c1cncc(N[C@@H](CO)c2ccccc2)n1)c1ccccc1 28882400 APWMAZCKKYORBO-FQEVSTJZSA-N 390.487 3.330 0 1 GGAF C[C@H]1CC[C@@H]2[C@]3(C)CO[C@@H](C)O[C@H]3CC[C@@]2(C)[C@]12CC[C@@](CO)(CCO)O2 504679277 QZOBEYQBKBPACE-GZURHHAVSA-N 382.541 3.263 0 1 GGAF biogenic C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 31298317 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Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(=O)c3cnn(C)c3)cc1)O2 587392373 TUYNCESBBYZRRF-IBGZPJMESA-N 377.400 3.236 0 1 GGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1nc(-c2ccc3c(c2)OCO3)no1 587650980 JZGAUFIDMAIRSU-UHFFFAOYSA-N 397.412 3.326 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(C)c2ccc(Br)cc21 587373921 VXEJMTMNGWFEFE-SFHVURJKSA-N 387.233 3.177 0 1 GGAF COc1ccc(C=O)c2cc(-c3nc4cc(S(=O)(=O)N(C)C)ccc4[nH]3)oc12 586904153 QQVLRSRASQKJKO-UHFFFAOYSA-N 399.428 3.048 0 1 GGAF O=C1COc2cc3[nH]c(-c4ccnc(Cl)c4Br)nc3cc2N1 586979450 NBEIWYCFAVETIX-UHFFFAOYSA-N 379.601 3.372 0 1 GGAF CCOC(=O)c1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 587126870 GPZFCGATSAYALA-UHFFFAOYSA-N 399.350 3.095 0 1 GGAF CCOc1cc(C(C)=O)c(OCC)n1-c1nc(N2CCCCC2)ncc1F 587944357 FWJCOCCNJFWSSA-UHFFFAOYSA-N 376.432 3.397 0 1 GGAF C[C@@H](c1nc2c(O)nc(O)nc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128261 IKQSUMDSZVZUET-REOHCLBHSA-N 380.689 3.099 0 1 GGAF COC(=O)Nc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587243827 RITOBDKOTVRYLO-UHFFFAOYSA-N 390.403 3.468 0 1 GGAF Cc1nc(O)nc(S)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587847733 XWECPVDLYHGONM-QZTNRIJFSA-N 398.301 3.479 0 1 GGAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2n[nH]cc2Cl)N1 963179098 PHJKILQLJILZSA-QWRGUYRKSA-N 380.153 3.424 0 1 GGAF CC(=O)c1cccc(-c2nnnn2CCN2CCC(Cc3ccccc3)CC2)c1 1772626312 DWFZYLFXZNEFKG-UHFFFAOYSA-N 389.503 3.497 0 1 GGAF COCCc1nc2ccc(C(=O)N(C)Cc3nc4ccc(F)cc4[nH]3)cc2o1 11936591 VFHIPJKBTWQFQF-UHFFFAOYSA-N 382.395 3.304 0 1 GGAF O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)[C@@H]1CCCO1)CC2 12704662 UHXFFUYWSCNJQO-FQEVSTJZSA-N 382.435 3.071 0 1 GGAF O=C(O)Cc1nn(Cc2nc3cc4ccccc4cc3o2)c(=O)c2ccccc12 13448978 JWBNYTVJZWMWBO-UHFFFAOYSA-N 385.379 3.366 0 1 GGAF CC/C=C\C[C@@H](O)/C=C/C=C/C=C/C=C/[C@@H](O)[C@@H](O)C/C=C\CCC(=O)O 169293287 OIWTWACQMDFHJG-BMKLKUIASA-N 376.493 3.461 0 1 GGAF CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@@H](N)CCSC 169349924 FKRBSIPVULUMDG-ROPHOZQPSA-N 376.566 3.304 0 1 GGAF COc1ccc(CN=c2[nH][nH]c3ccc(NC(=O)[C@@H]4CCC[C@@H](N)C4)cc23)cc1 1857750179 DCYKGIAYETYOGO-HZPDHXFCSA-N 393.491 3.062 0 1 GGAF COc1ccc(Nc2cc(C(=O)N3CCOCC3)c3ccccc3n2)c(OC)c1 4910148 LFQOXQHMKJFLKW-UHFFFAOYSA-N 393.443 3.468 0 1 GGAF O=C(O)c1ccc(Cn2c(=O)n(Cc3nc4ccccc4[nH]3)c3ccccc32)cc1 28569774 VOBRRUYURUHRFS-UHFFFAOYSA-N 398.422 3.474 0 1 GGAF CCCCOC(=O)c1c(N)cccc1C=C[C@@H](O)[C@@H](C)OC(=O)c1ccco1 2356608423 OQSXRPBCVKZSHQ-RHSMWYFYSA-N 387.432 3.438 0 1 GGAF CNC(=O)Nc1c(OC[C@H](C)N2CCCCC2)c(OC)c2occc2c1OC 29406705 WUNIXXJNOAOKLG-ZDUSSCGKSA-N 391.468 3.455 0 1 GGAF C[C@@H](NC[C@H]1Cc2ccccc2OS(=O)(=O)N1)c1cccc2ccccc12 72105187 YQTJNTGBFSILKB-CRAIPNDOSA-N 382.485 3.329 0 1 GGAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NCCNc1ccccc1 82203812 DSCVSPCWYMUATA-UHFFFAOYSA-N 380.540 3.374 0 1 GGAF O=S(=O)(NCc1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142980054 PXYCEUHIRAXEMS-UHFFFAOYSA-N 383.351 3.234 0 1 GGAF CNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)c2ccc(C(=O)c3cccs3)cc2)C1 621476451 ZFTCHLMKXOFDDE-WMLDXEAASA-N 384.501 3.067 0 1 GGAF C[C@H](Oc1cc(-c2cc(N3CCC3)nc(C3CC3)n2)cnc1N)c1ccn(C)n1 653676027 MZJBFIVZVMPMRG-ZDUSSCGKSA-N 391.479 3.082 0 1 GGAF COC(=O)c1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cn1 587042784 MGUNIUOIHXRMLG-AWEZNQCLSA-N 388.836 3.053 0 1 GGAF O=C1CC(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587603548 NIZOYKAOOHBMPT-NFBKMPQASA-N 386.359 3.405 0 1 GGAF N[C@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1ccc(Br)cc1 586997704 QVBVTDAMBLJLAF-CYBMUJFWSA-N 385.265 3.453 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](O)c3cccc(N)c32)N1 587748779 YKDLSNKFMMBACK-YMBBQFJWSA-N 377.257 3.385 0 1 GGAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc(N(C)C)n1 587573618 TVVMEEPDEODTAL-YLJYHZDGSA-N 377.400 3.260 0 1 GGAF CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(OCC(=O)O)=CO1 587832749 KTWRUVHTTFGYKZ-HUTHGQBESA-N 398.228 3.194 0 1 GGAF COc1cc([C@H]2NCCc3cc4cccc(OC)c4nc32)c(OC)cc1C=O 963059969 VXPLGSCEWXPCIV-JOCHJYFZSA-N 378.428 3.308 0 1 GGAF Cn1nc([C@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1C(F)(F)F 962763264 JYDHZLSGXBZPMO-IAQYHMDHSA-N 391.315 3.348 0 1 GGAF NC1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)nc4)ccc3n2)C1 1772607034 BIGHKHAOUKBPBK-UHFFFAOYSA-N 388.349 3.224 0 1 GGAF Cc1cccnc1C(=O)c1cc2c(cc1-c1ccc(S(C)(=O)=O)cc1)OCO2 13530467 QMMHNNBZFVYFQD-UHFFFAOYSA-N 395.436 3.420 0 1 GGAF CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(Cl)ccc3nc2-1 13556273 YINRSPZPOWUULX-NRFANRHFSA-N 396.830 3.123 0 1 GGAF Fc1cc(Nc2ncc(F)c(OCC(F)(F)F)n2)ccc1[C@H]1CNCCO1 150029890 ALNGRRMJEIRAFV-CYBMUJFWSA-N 390.312 3.100 0 1 GGAF CCOc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169706967 PVUQILBETCLLGF-MRXNPFEDSA-N 390.443 3.013 0 1 GGAF COC[C@@H](NC(=O)Nc1cc2n[nH]c(C(F)(F)F)c2cn1)c1ccccc1 205434182 LKPNXNGWADOEHY-CYBMUJFWSA-N 379.342 3.486 0 1 GGAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2ccc(Cl)c(F)c2)CC1 207252462 YALFFPXPPGJOHN-UHFFFAOYSA-N 387.864 3.051 0 1 GGAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCCN1CCCC1=O 4214903 QFDCBJDKNHSKBF-WOJBJXKFSA-N 389.496 3.422 0 1 GGAF COc1cc(OC)cc(-c2nnc(NC(=O)c3cc(=O)c4ccccc4o3)o2)c1 4276127 KYARQVAGHFIPHI-UHFFFAOYSA-N 393.355 3.113 0 1 GGAF COCCNc1nc(C)nc2c1nc(-c1ccccc1)n2CC1CCN(C)CC1 7991851 ZXLZYTLTHGHIDE-UHFFFAOYSA-N 394.523 3.202 0 1 GGAF COc1ccc2c3c1O[C@H]1C(=O)C[C@H](c4ccccc4)[C@@H]4[C@H](C2)N(C)CC[C@@]341 195224171 QXZJMGDZMLKVKQ-AMWYEGGLSA-N 375.468 3.327 0 1 GGAF N=C1S/C(=C\c2c[nH]nc2-c2ccc3c(c2)OCO3)C(=O)N1c1nccs1 40406795 FNOVNLKZZMSTDL-LYBJEYBCSA-N 397.441 3.318 0 1 GGAF CC(=O)N(C)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 40845357 VNAAONNUVDYKKE-UHFFFAOYSA-N 393.378 3.098 0 1 GGAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2O[C@H]([C@@H]3O[C@H]32)[C@@H]1/C=C/[C@H](O)C1CCCCC1 195140233 BLPTUHHFIMEDBU-SBEZLVMFSA-N 376.493 3.466 0 1 GGAF Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5ccoc5)[nH]c34)CC2)no1 95562112 QHGNCLOEPNSKIC-UHFFFAOYSA-N 398.854 3.490 0 1 GGAF Cn1cc(-c2ccc(CN3C(=O)[C@@]4(CCNC4)c4ccccc43)c(F)c2)cn1 95587286 NZWLJJSNAYYPIM-JOCHJYFZSA-N 376.435 3.004 0 1 GGAF Cc1[nH]c2c(c1C(=O)N1CCOCC1)CCC/C2=C1/C(=O)Nc2ccc(F)cc21 96284766 IVQYCPCHHYNLKB-CYVLTUHYSA-N 395.434 3.134 0 1 GGAF COc1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 653864174 VFMOBDNEHOCRTN-UHFFFAOYSA-N 377.400 3.020 0 1 GGAF COc1cc2c3c(c1)O[C@]1(CC[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]41)[C@@H](C2)C3=O 587444161 NRBNXIDDVWAGCF-KFMKYRGESA-N 385.460 3.458 0 1 GGAF COC(=O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1OC 586967474 YVXBXZBHCNFGOA-UHFFFAOYSA-N 397.416 3.095 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3cnccn3)c2)N1 587759724 MKPKLLNSZSUSHI-BMLIUANNSA-N 388.244 3.188 0 1 GGAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccnc(Cl)c2[nH]1 586935031 GAHDYMPCPPGKAI-CYBMUJFWSA-N 396.925 3.384 0 1 GGAF COC(=O)c1cccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587147903 CSLRAKBNZIXNJL-GFCCVEGCSA-N 385.370 3.144 0 1 GGAF CC1=C(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[C@H](C)N2NC=NC2=N1 586989642 NQVRMRDNJGYYAZ-LBPRGKRZSA-N 395.422 3.489 0 1 GGAF Cc1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2cc1F 586947077 RUQCTXJNTDVERQ-CQSZACIVSA-N 389.452 3.135 0 1 GGAF COc1ccccc1CC(=O)c1nc2c(C(=O)O)cc(Br)cc2[nH]1 587929429 JREYXRPYIFZFRP-UHFFFAOYSA-N 389.205 3.458 0 1 GGAF Nc1cc(C(=O)O)ccc1Cc1nc2c(Cl)c(Br)cnc2[nH]1 587250385 SQHOVCHKBJRPTH-UHFFFAOYSA-N 381.617 3.245 0 1 GGAF COc1ccc2c(c1OC)[C@]1(c3ccccc3C(=O)[C@H]1C(C)=O)N(C)[C@H](C)C2 962632642 UJGUGWIADJNQPP-RCRBYDPDSA-N 379.456 3.225 0 1 GGAF CC(=O)Nc1ccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1 14958393 ILQMLJRCOQFSII-UHFFFAOYSA-N 386.795 3.352 0 1 GGAF O=C(Nc1ccccc1)c1ccc(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1 169291307 XZZJIUFSZHCKSM-JOLMYRCBSA-N 398.462 3.492 0 1 GGAF COC(=O)c1cc2nc(SCC(=O)Nc3cccc(C)n3)[nH]c2cc1Cl 1857571989 MATJZBHXKNYHAL-UHFFFAOYSA-N 390.852 3.437 0 1 GGAF CN[C@H]1[C@H]2CCC[C@]23C[C@@]24C[C@@H]1C=C[C@]32[C@H](O)[C@H]1C=C[C@H]2C[C@@]1(C)C[C@@]4(O)C2 2356370938 FTAZEDHYICELSB-UKEBRAPXSA-N 381.560 3.425 0 1 GGAF CCCCN(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 3660571 IEYDGXMDZLYIMH-NZXJAIKPSA-N 380.488 3.013 0 1 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4153406 DTKSZSPICJDKHO-IGGJEDBVSA-N 398.459 3.190 0 1 GGAF CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)c2ccco2)C1 4545983 SBVGJYYNDNJKSQ-SJLPKXTDSA-N 388.439 3.135 0 1 GGAF OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(-c2ccncc2)cc1 103231583 MINUVEQXKCWWNS-UHFFFAOYSA-N 387.487 3.169 0 1 GGAF CCCOc1ccc([C@@H]2O[C@H](c3c[nH]c4ccccc34)C(=O)N[C@@H]2CO)cc1 2356784343 OGAWCPDFNFONNX-QHAWAJNXSA-N 380.444 3.246 0 1 GGAF Nc1ccccc1NC(=O)c1cc2ccc(N3CCNCC3)c(C3CC3)c2cn1 212358677 PGPBWWAWYKVTCS-UHFFFAOYSA-N 387.487 3.356 0 1 GGAF COc1ccc2c3n([n+]([O-])c2c1)CCN=C3c1cc(Cl)c(N)c(Cl)c1 36387368 CLECHASDFBZPLC-UHFFFAOYSA-N 377.231 3.023 0 3 GGAF CN1CCN(c2ccc(Nc3ncc(Cl)c(=Nc4ccccc4)[nH]3)nc2)CC1 1911576518 WAPRNUXTJDENKW-UHFFFAOYSA-N 395.898 3.186 0 1 GGAF C[C@@H](c1nc(O)c2oc3ccc(Br)cc3c2n1)N1CCN(C)CC1 84713475 SLRQWILFIQMPFZ-JTQLQIEISA-N 391.269 3.153 0 1 GGAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCc1ccccc1F 82198587 BQGZXDYOIJLJBL-LORLSUQVSA-N 376.472 3.194 0 1 GGAF CCCCC/C=C\C/C=C\C[C@H](O)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 96094946 LVNITLZCNUEXQK-MMQVJKECSA-O 384.537 3.303 0 1 GGAF in-vitro CC[C@@H](NC(=O)c1cc(C(=O)N(C)CC2CC2)n2c1COCC2)c1ccccc1 143687509 BOBZUOGCIMWOFL-LJQANCHMSA-N 395.503 3.381 0 1 GGAF CC(=O)O[C@H]1C2=CO[C@@H](OC(C)=O)[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1OC(C)=O 145317511 UTYXHDXCRDQTDU-FBGLYXIBSA-N 394.464 3.116 0 1 GGAF CC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1 95666868 OREVKUIDZWHHQO-YTFSRNRJSA-N 396.531 3.236 0 1 GGAF Cc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1 96175479 QMZDCIVYPQJZOK-UHFFFAOYSA-N 385.431 3.344 0 1 GGAF CC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2CC1CC1 95796609 MTVJASOJIYMHQI-DHIUTWEWSA-N 394.490 3.264 0 1 GGAF Cc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@H]3C2)cc1 253977479 LGHNSILAIFKICR-SFTDATJTSA-N 380.540 3.356 0 3 GGAF CC/N=c1\c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(O)oc2ccccc12 617997489 NGSMJJKKDAJATD-XLNRJJMWSA-N 398.415 3.337 0 1 GGAF CS(=O)(=O)c1cccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 391922267 DRPPWBXJDGLJCO-UHFFFAOYSA-N 395.234 3.094 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3c(c2)OCCN3C)N1 587773752 KSNMIIPAMUXLNM-BTDLBPIBSA-N 392.272 3.435 0 1 GGAF COC(=O)Cn1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577019 LNCIDODEYXWPPP-GHTZIAJQSA-N 379.368 3.070 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1ccc(F)cc12 587733399 OFOANQVYBVBFJV-YYSFKGJASA-N 393.231 3.482 0 1 GGAF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cncc(N)c4)[nH]c3c2)cc1 587254493 RGTNBOQAESAEPQ-UHFFFAOYSA-N 395.444 3.017 0 1 GGAF COC(=O)c1ccnc2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc12 587242074 OITFFMXXOCVABY-UHFFFAOYSA-N 384.392 3.464 0 1 GGAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)cc2N1 587124448 ABOYOVDVHRDBKF-SVGQVSJJSA-N 391.279 3.494 0 1 GGAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cc(F)c(F)c(F)c3[nH]2)s1 587023742 GTHIPBHZDXZLBO-UHFFFAOYSA-N 385.371 3.191 0 1 GGAF CC[C@H](C)n1ncc(I)c1-c1nc2c(OC)nccc2[nH]1 587179979 BNGIJSMVFSSAAS-QMMMGPOBSA-N 397.220 3.406 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCC(=O)N3CCCC3)cc1)O2 587396518 UBFFUWRSAYYRAD-QHCPKHFHSA-N 394.471 3.459 0 1 GGAF Cc1nn(C)c(C)c1[C@@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962931654 XQJNRZFDXZLQIQ-PZJWPPBQSA-N 393.443 3.223 0 1 GGAF CCOc1cc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)ccc1OC(=O)C1CC1 962903391 AKMZTHIMJCGPCM-FXAWDEMLSA-N 399.418 3.228 0 1 GGAF Cc1cc(N2CC(N(C)C)C2)n2nc(N[C@H](C)c3cccc(Cl)c3)nc2n1 1772617131 XCAHOXFVKVSANK-CYBMUJFWSA-N 385.903 3.009 0 1 GGAF O=C(O)c1cccc(Cc2c(N3CCSCC3)nn3cc(Cl)ccc23)n1 1772584259 CJKLYLUSQSEXRX-UHFFFAOYSA-N 388.880 3.225 0 1 GGAF CNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21 13554117 JSCLBFBGVZPWKQ-UHFFFAOYSA-N 398.466 3.299 0 1 GGAF Cc1cccnc1-n1c([S@@](=O)Cc2ccccc2N(C)C)nc2c1CCC2 13746223 CNBCDCWXQWRYEP-HHHXNRCGSA-N 380.517 3.438 0 1 GGAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCN(Cc2ccccc2)CC1 169349376 RIDMMYTUOPCASX-REZHQCRGSA-N 376.456 3.329 0 1 GGAF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N(C)C2 169716303 LCWYVYCRRLOAFG-MPESAESLSA-N 399.272 3.278 0 1 GGAF O=C1c2ccccc2C2=NC(=S)N[C@H](c3cccc(OCCCCO)c3)[C@@H]12 169726090 QMAKEHDYYGZJGC-QZTJIDSGSA-N 380.469 3.069 0 1 GGAF Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1Br 167360669 PUARLVQTGQJPKQ-UHFFFAOYSA-N 392.238 3.444 0 1 GGAF COc1cccnc1C1CCN([C@H]2CCCN(c3nccnc3C)CC2)CC1 1857550509 APRFZDOURHFBPX-IBGZPJMESA-N 381.524 3.427 0 1 GGAF CC(C)(C(=O)NCCOc1ccccc1Cl)S(=O)(=O)c1ccccc1 1857583434 SJJCVIGSGAQMGF-UHFFFAOYSA-N 381.881 3.088 0 1 GGAF COc1ccc(-n2cc(COc3ccc4c(C)cc(=O)oc4c3)nn2)c(OC)c1 1857629615 NXARVGPJCNMGEH-UHFFFAOYSA-N 393.399 3.278 0 1 GGAF CNC(=O)OCc1c(COC(=O)NC)c(-c2cccs2)n2c1CSC2 838128 JSEABOHNYQUQHN-UHFFFAOYSA-N 381.479 3.133 0 1 GGAF COc1cc2c(cc1OC)-c1c(OC)c(OC)c(OC)c3c1[C@@H](C2)N(C)CC3 1726304 KMLPLPOAFAPFFE-OAHLLOKOSA-N 385.460 3.482 0 1 GGAF biogenic,in-vitro COc1cc2[nH]c(=S)n3nc(CCn4nc(C)cc4C)nc3c2cc1OC 6492479 MSIPHWLIMMKGCR-UHFFFAOYSA-N 384.465 3.013 0 1 GGAF Cc1ccc(C(=O)[C@@H](Cn2nnc3ccccc32)OC(=O)c2cccnc2)cc1 103293220 PFUGFAOKXOBJFO-HXUWFJFHSA-N 386.411 3.243 0 1 GGAF O=c1cc(N2CCOCC2)oc2c(-c3ccc(N4CCOCC4)cc3)csc12 103081836 OHCURTHPKWVHMQ-UHFFFAOYSA-N 398.484 3.195 0 1 GGAF CC(=O)O[C@@H]1C[C@](C)(O)C=CC[C@H](C)CC(=O)CC2=C[C@@H](OC2=O)[C@@H]1C(C)C 2356509546 TUNXVTXNCGWNAQ-TVCISXSXSA-N 392.492 3.129 0 1 GGAF CS(=O)(=O)c1ccc(-n2cc(C(=O)O)nc2-c2ccc(Cl)cc2)cc1 29403037 HJOOYXVHVCGAJC-UHFFFAOYSA-N 376.821 3.294 0 1 GGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC3CCNCC3)c2cn1)c1ccccc1 210678887 OMCQVSBYIGLTNV-CYBMUJFWSA-N 379.468 3.005 0 1 GGAF COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@@H]2NC1CCC1 20464637 CHQYDUYNLDKEBY-GPHNJDIKSA-N 380.573 3.007 0 1 GGAF biogenic COc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)SC=C3C)c2)cn1 147103695 TZBBBHJEGUZHNW-SFHVURJKSA-N 387.440 3.057 0 1 GGAF CC(C)CCNc1ncc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1 96942032 UFCQPBGQTNWGHB-UHFFFAOYSA-N 394.527 3.150 0 1 GGAF O=C(CN1CCCCC1)Nc1sc2c(c1C(=O)N1CC(F)(F)C1)CCCC2 95558438 RLOOCWASJIUZMT-UHFFFAOYSA-N 397.491 3.142 0 1 GGAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 299879986 LOTZTURGWJIAKW-XHBKTUGNSA-N 375.856 3.091 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3nn[nH]n3)c2)N1 587790580 DMKRRINNEBSOQI-FVMDXXJSSA-N 388.244 3.392 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(CCCOc1ccccc1C(N)=O)[C@@H](C2)C3=O 587432511 MSUUVYGXSZRETH-KSFYIVLOSA-N 381.428 3.159 0 1 GGAF COc1nccc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc12 587124281 KNNNGDGKBORGKL-UHFFFAOYSA-N 386.355 3.203 0 1 GGAF Cc1nn(C)c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1Br 587871815 CCTANOKNMDIMEF-UHFFFAOYSA-N 377.173 3.288 0 1 GGAF N[C@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(Br)cc1F 587144343 MDQKLPNMUGPGGW-SNVBAGLBSA-N 390.216 3.289 0 1 GGAF COc1ncc(C)cc1[C@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962661378 HVYDMQAPRHAFIM-GOTSBHOMSA-N 391.471 3.309 0 1 GGAF COc1cccc2c1CCN(Cc1ccc([C@H](C)NC(=O)c3cn[nH]c3)cc1)C2 1772574676 KOJAUBOTPMTGPW-INIZCTEOSA-N 390.487 3.468 0 1 GGAF CC(C)N1C(=O)[C@]2(N[C@@H]1N)c1ccccc1CC21CCc2ccccc2CC1 1772641196 BTDYPINICWJPMW-LADGPHEKSA-N 375.516 3.086 0 1 GGAF COC(=O)C1=C(C)N2CCS[C@@]2(C)[C@H](C(=O)OC)[C@@H]1c1cccc(Cl)c1 17220877 HTOPLRWJQODIPS-GJYPPUQNSA-N 395.908 3.438 0 1 GGAF CCCC[C@@]12[C@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 169335566 DTVYAHOULQCSMS-WMIYMVCXSA-N 387.476 3.090 0 1 GGAF CN1[C@H]2CC[C@H]1[C@H](C(=O)OCCc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 169347334 WSTBUYSFCXEAIP-KJJMTIBFSA-N 393.483 3.481 0 1 GGAF COc1ccc(-c2cnn(C(C)(C)C(=O)NCCc3ccccn3)c2)cc1OC 205214512 QVKBOGNGRKZTAL-UHFFFAOYSA-N 394.475 3.056 0 3 GGAF C[Si](C)(C)c1onc(-c2ccc(F)cc2)c1-c1ccc(S(N)(=O)=O)cc1 1857766431 CKZXGSXFPSXIRT-UHFFFAOYSA-N 390.512 3.340 0 1 GGAF COC(=O)C1=C(C)N2CCS[C@]2(C)[C@@H](C(=O)OC)[C@@H]1c1cccc(Cl)c1 1635017 HTOPLRWJQODIPS-GPMSIDNRSA-N 395.908 3.438 0 1 GGAF N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)O)cc(Br)c3O)cc2c1 2047573 VIZNZQTZRMTYPZ-UHFFFAOYSA-N 388.221 3.214 0 1 GGAF in-vivo CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)NCCO 2480873 XLOGGSYUVRQTJI-UHFFFAOYSA-N 382.416 3.138 0 1 GGAF CCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1 3814507 SWGSPVCVQPOXFZ-UHFFFAOYSA-N 377.853 3.239 0 1 GGAF Cc1ccc(N2C(=S)N[C@@H]3c4ccccc4O[C@]2(C)[C@@H]3C(=O)N(C)C)cc1 100434435 SOFOHNSSJHEKBZ-WAOWUJCRSA-N 381.501 3.244 0 1 GGAF O=C1Nc2ccccc2/C1=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 10254751 BOMPRXSVSIPRDT-PTNGSMBKSA-N 398.469 3.349 0 1 GGAF in-vivo C[C@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)C(Cl)(Cl)Cl 10450430 DZQMDUVMVWFGRX-SSDOTTSWSA-N 395.091 3.273 0 1 GGAF O=C(NCc1ccc(F)cc1)c1cc([C@H]2CCCCN2C(=O)OCCF)on1 61906799 NSGPGIBYEVOGQO-MRXNPFEDSA-N 393.390 3.377 0 3 GGAF Cc1nc2cnc(Nc3ccnc(/C=C/C(C)(C)C(N)=O)n3)cc2n1C(C)C 222730432 CTUOWUBSEUXLDY-SOFGYWHQSA-N 379.468 3.379 0 1 GGAF N[C@@H]1CCc2ccc(CNS(=O)(=O)CCCF)cc2[C@@H]1Cc1ccccc1 142928634 AUDHCZPXIAUFBH-LEWJYISDSA-N 390.524 3.065 0 1 GGAF NC(=O)CCn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144863706 ZLHLOVRVURSBDP-IBGZPJMESA-N 387.361 3.204 0 1 GGAF O=S1(=O)C[C@@H](N2CCC(Cc3ccccc3)CC2)CN1C1CCCCC1 95569037 ZBGJSARNDURCJB-NRFANRHFSA-N 376.566 3.288 0 3 GGAF Cc1cc(F)cc(C)c1N1CCN(Cc2ccc(F)c(F)c2F)C(=O)C1=O 95565684 XZJWQHAYOXXHNJ-UHFFFAOYSA-N 380.341 3.235 0 1 GGAF Cc1cc(Oc2ncccc2N2CC(F)C2)ccc1-c1c(C)c(O)nc(=O)n1C 261149003 OMPXDBFZYRZVRB-UHFFFAOYSA-N 396.422 3.115 0 1 GGAF CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccccc4C(=O)O)ccc1c23 653721934 MOVDKHSHOYQHHN-UHFFFAOYSA-N 396.424 3.319 0 1 GGAF COC(=O)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1cc(F)c(F)cc1F 587649864 MATINLKRPFETRC-UHFFFAOYSA-N 397.374 3.371 0 1 GGAF COC(=O)c1cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2cn1 587241979 MQHGYWOARUWGLH-UHFFFAOYSA-N 384.392 3.464 0 1 GGAF Cn1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c(Cl)c1C(F)(F)F 587651057 AOKWZXBHDZSCTL-UHFFFAOYSA-N 391.136 3.144 0 1 GGAF O=C(Nc1ccccc1-c1ccc2c(O)nc(O)nc2n1)OCC(F)(F)F 587368288 GCTXYCUDOCMQRY-UHFFFAOYSA-N 380.282 3.214 0 1 GGAF Cc1ccc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352624 LMPQXUUGXRIWNA-NFBKMPQASA-N 394.398 3.405 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)cc(F)c12 587567044 BNLIUBRZCMOURY-UWJYYQICSA-N 395.317 3.480 0 1 GGAF COc1cc2c3c(c1)O[C@@]1(CCC(=O)N(Cc4ccccc4)CC1)[C@@H](C2)C3=O 587438233 NZMKYHHPNQCEHF-FDDCHVKYSA-N 377.440 3.394 0 1 GGAF CC(=O)N[C@H](Cc1nc2ccc(OCCN(C)C)cc2[nH]1)c1ccc(C)cc1 587216999 SDTFYIHNKYNHFW-HXUWFJFHSA-N 380.492 3.232 0 1 GGAF CCCc1sc(=N)[nH]c1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587013104 HPDIGJGTQRVSHJ-UHFFFAOYSA-N 381.465 3.111 0 1 GGAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccccc3OC[C@@H]3CCCO3)c3cccc1c32 963028976 PLTMXJPYJRHHJC-SYJLOODJSA-N 378.472 3.387 0 1 GGAF C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43CCOS(C)(=O)=O)[C@H]1CCC2=O 14947040 MBCXWFIZCYINFZ-KJNZLNQQSA-N 392.517 3.354 0 1 GGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC(N)=O)cc21 1857600714 KHNXVBUIADPMTM-UHFFFAOYSA-N 385.467 3.368 0 1 GGAF C[C@@H](CNC(=O)c1ccccn1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1857646316 SEMARRWDTRQENS-HNNXBMFYSA-N 392.425 3.041 0 1 GGAF C[Si](C)(C)c1c(-c2ccc(F)cc2)noc1-c1ccc(S(N)(=O)=O)cc1 1857768244 BAGQCKHLLJCYPC-UHFFFAOYSA-N 390.512 3.340 0 1 GGAF CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)n2c1nc1c(O)cccc1c2=O 2356427643 IHICXZWKNHGSOP-QANKJYHBSA-N 377.444 3.103 0 1 GGAF CCN(CC)C(=O)c1ccc([C@@H](NCCN(C)C)c2cccc(OC)c2)cc1 22939516 UWWHXJUMGYMUHH-JOCHJYFZSA-N 383.536 3.418 0 1 GGAF CSc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 26837567 UAFZHFZPOUPSTQ-QPWUGHHJSA-N 395.546 3.416 0 1 GGAF CC(C)CN1C(=O)C(c2c[nH]c3ccccc23)=C(c2n[nH]c3ncccc23)C1=O 103233917 QMRTWUWLYKJMAA-UHFFFAOYSA-N 385.427 3.375 0 1 GGAF Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccc(Br)cc3)NC2=O)cc1 26570247 BUJOPJZHQRFQEB-HNNXBMFYSA-N 395.278 3.213 0 1 GGAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@]2(O)CCC[C@H](C)[C@@]12C 2356429898 AHVYGDRGQJFXOT-FNAGCRLYSA-N 378.465 3.042 0 1 GGAF CCN1C(=O)c2[nH]c(Cc3ccccc3)nc2N2C[C@@H](Cc3ccccc3)N=C12 28263405 GJHFFXDICUJTII-GOSISDBHSA-N 385.471 3.264 0 1 GGAF CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCCO 1911583921 MJRDUILKYBITAN-UHFFFAOYSA-N 385.493 3.367 0 1 GGAF COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CCC4)nnc23)c1 71294252 KADHNYOMTSABQA-UHFFFAOYSA-N 396.422 3.318 0 1 GGAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CNCc2ccccc2)cc1 199939922 SIVAXEYBSAJIGE-UHFFFAOYSA-N 384.505 3.128 0 1 GGAF C[C@]12COCC[C@@H]1[C@]1(COC(N)=N1)c1cc(-c3cncc(Cl)c3)ccc1O2 145612960 LJSSLTYQMYUUSX-IHPCNDPISA-N 385.851 3.130 0 1 GGAF Cc1nc2cccnc2n2c(-c3cc(C4(O)CCOCC4)ccc3Cl)nnc12 145745341 LPLOVOYHQNAKIG-UHFFFAOYSA-N 395.850 3.299 0 1 GGAF Cn1cc(-c2ccc(CN3C(=O)[C@]4(CCNC4)c4ccccc43)c(F)c2)cn1 95587287 NZWLJJSNAYYPIM-QFIPXVFZSA-N 376.435 3.004 0 1 GGAF Cc1ccc2nc(C)c3nnc(-c4cc(OC[C@@H](C)O)ccc4Cl)n3c2n1 145718320 IQKUDFYGJLMDTB-LLVKDONJSA-N 383.839 3.369 0 1 GGAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](C(=O)CO)CC[C@]4(O)[C@@H]3CC[C@@H]2C1 255220944 JFRJVZILATYGJH-YRRNMYSVSA-N 392.536 3.253 0 1 GGAF O=C(c1ccc(-c2cccnc2)cc1)N1CCN(C(=O)c2cccc(F)c2)CC1 473111899 BYQSNNVPDUUJAX-UHFFFAOYSA-N 389.430 3.486 0 1 GGAF CCOC[C@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351018 SSZDBVRBNWAUIZ-FPOVZHCZSA-N 388.391 3.229 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(=O)O)nc2)N1 587773365 QVXWJJCJVKYPKO-VVVCHXIZSA-N 379.229 3.479 0 1 GGAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 586927022 SKEFEECQQZEGPL-UHFFFAOYSA-N 398.271 3.484 0 1 GGAF COC(=O)c1cc(Br)c2[nH]c(Cc3csc4nccn34)nc2c1 587040483 ORABZGGNWFZGDP-UHFFFAOYSA-N 391.250 3.412 0 1 GGAF Cc1nnc2ccc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nn12 587658239 MNUMYCVWLXMMHW-UHFFFAOYSA-N 390.353 3.077 0 1 GGAF CS(=O)(=O)C[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587361690 YYKWIUWMQKVWTK-AZUAARDMSA-N 390.432 3.084 0 1 GGAF CCOC(=O)COc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587439697 MLEYOCGDRXMJNU-QRQCRPRQSA-N 398.411 3.134 0 1 GGAF O=C(O)c1ccccc1/C=C/c1nc2cc(I)cnc2[nH]1 586878179 AVOQLNYTGDYHNK-AATRIKPKSA-N 391.168 3.431 0 1 GGAF Cc1c(Cl)ccc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c12 587227812 YLTUVPJDFICEIL-UHFFFAOYSA-N 386.839 3.067 0 1 GGAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 586946474 LERCREVYLCYNCF-CQSZACIVSA-N 391.880 3.341 0 1 GGAF O=C1c2cc(O)ccc2O[C@H](c2ccccc2)[C@@]12NCCc1nc3ccccn3c12 962988389 YFZJQUCRQGOTTG-RPWUZVMVSA-N 397.434 3.398 0 1 GGAF Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 12299097 RAKYBAOVVCKZPS-QGZVFWFLSA-N 379.460 3.118 0 1 GGAF COc1ccc(Nc2ncnc3ccc4nc(C(N)=O)sc4c23)cc1OC 206014352 YBGHLCHXIFLJRR-UHFFFAOYSA-N 381.417 3.099 0 1 GGAF NS(=O)(=O)c1ccc(O[P@](=O)(Nc2ccccc2)c2ccccc2)cc1 1857554283 KNDARAGEZKRGBF-VWLOTQADSA-N 388.385 3.344 0 1 GGAF COc1ccc(CNC(=O)c2sc3c(c(C)cc4nc(C)nn43)c2N)cc1 1857568660 YYPQFWYTHFCMBP-UHFFFAOYSA-N 381.461 3.082 0 1 GGAF COc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc32)cc1 1857596898 KQYFNYPILBBWOB-ICSRJNTNSA-N 379.460 3.127 0 1 GGAF CO[C@H]1CCC(=O)N(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1 1857760773 IZQXJNDWYPKQNX-HOTGVXAUSA-N 388.414 3.071 0 1 GGAF CSc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc2)cc1 578999 JDHBSANRAFEDMI-QGZVFWFLSA-N 379.503 3.463 0 1 GGAF CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@H]1c1cc(Br)ccc1O 4563649 BQQVIKRYUSRIHZ-HUUCEWRRSA-N 376.206 3.150 0 1 GGAF c1cc2oc(Cc3cc4cc(C5=NCCN5)ccc4o3)cc2cc1C1=NCCN1 28870057 USSPURUZTZWDJE-UHFFFAOYSA-N 384.439 3.469 0 1 GGAF C[C@@H]1Cc2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2N1C(=O)C1CCC1 103711880 ABOAOLATMYDQNI-HUUCEWRRSA-N 376.522 3.327 0 3 GGAF C[C@@]12C[C@@H]3C[C@@H](CC(CC(=O)OCCN4CCN(c5ncccn5)CC4)(C3)C1)C2 101765298 CCGVFRIKBZBWQY-LTSXUNDFSA-N 398.551 3.138 0 1 GGAF CCOCCn1cnc2c(=O)[nH]c(NCc3ccc(Cl)c(Cl)c3)nc21 28134515 NSXJCVSKJPJQKE-UHFFFAOYSA-N 382.251 3.075 0 1 GGAF CC(C)(C)n1ncc(OCc2nnc(-c3ccc(F)cc3)o2)c(Cl)c1=O 103217303 RJANEIHSMWRULN-UHFFFAOYSA-N 378.791 3.420 0 1 GGAF O=C(CN1CCC(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1F 28103809 LMNQDRKEXMRDPO-UHFFFAOYSA-N 379.428 3.086 0 1 GGAF COc1cccc(NC(=O)N2CCC(c3nc4c(C(N)=O)cccc4[nH]3)CC2)c1 63540104 UCLBDUZAAUTHBW-UHFFFAOYSA-N 393.447 3.082 0 1 GGAF CCCCC/C=C\C/C=C\C[C@H](O)[C@@H](O)C/C=C\CCCC(=O)NCCO 34961994 VBCWCYKNZSTKQW-RXUOWVCCSA-N 381.557 3.406 0 1 GGAF COc1cc([C@H]2C[C@@H](O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC 40933385 QIVJEPKRLFVSAS-TZMCWYRMSA-N 390.432 3.307 0 1 GGAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCc1cccc(F)c1 82203580 VKMMDMUMVGXKNO-UHFFFAOYSA-N 378.455 3.258 0 1 GGAF CCC(=O)Oc1c(OC)ccc2c1CN1CCc3cc4c(cc3[C@H]1C2)OCO4 95593893 GZYOGNGJYUJUBO-QGZVFWFLSA-N 381.428 3.395 0 1 GGAF COCCOc1cc(OC)cc(OC)c1[C@H](OC)c1ccc(OC)c(OC)c1 238748460 WFQUJVPQIYCOMB-OAQYLSRUSA-N 392.448 3.482 0 1 GGAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@@]12C(=O)N(C)c1ccccc12 473151506 PMOOEXCVFUCTMX-CBGDNZLLSA-N 383.831 3.246 0 1 GGAF CC(C)(CO)[C@@H](O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586902090 XQDSTFRETPYFOB-JTQLQIEISA-N 383.164 3.276 0 1 GGAF CCCCNS(=O)(=O)c1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1 587090475 RBTRPJLCHWPGEV-UHFFFAOYSA-N 380.420 3.176 0 1 GGAF COC(=O)c1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587119305 BAIDQSABHXGJMH-UHFFFAOYSA-N 378.354 3.492 0 1 GGAF CC(=O)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569484 GAYYMWMYBWMGND-OFNKIYASSA-N 389.407 3.385 0 1 GGAF CCOC(=O)C[C@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556896 PKLAAQSDLZXWRQ-BEFAXECRSA-N 378.327 3.311 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cccc(F)c12 587737732 GXCFDQOPZYRDJX-CQLKUDPESA-N 379.204 3.457 0 1 GGAF COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CC(=O)O)cc1F 587650473 XEMDYZMLDGGHIC-UHFFFAOYSA-N 377.393 3.013 0 1 GGAF COc1cc2c(c(OC)c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587526295 QPGAFWFYIAHONB-JOCHJYFZSA-N 379.412 3.395 0 1 GGAF NS(=O)(=O)c1cccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587032643 LPGNLBKRKHJHSQ-UHFFFAOYSA-N 384.486 3.218 0 1 GGAF CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccncc2)c1F 1772615863 WTEVXJATQCJKAB-IAQYHMDHSA-N 377.847 3.410 0 1 GGAF CCN1c2ncc(COc3ccncc3)cc2C(=O)N(C)c2ccc(F)nc21 5883799 BMCALDMFEXQQRY-UHFFFAOYSA-N 379.395 3.338 0 1 GGAF CCOC(=O)/C=C/c1ccc(C(F)(F)F)cc1S(=O)(=O)NC(C)(C)C 12479293 FEHKDIJKWJLRSJ-VQHVLOKHSA-N 379.400 3.359 0 3 GGAF COC(=O)C1=C(C(C)C)NC(=S)N[C@H]1/C=C/c1ccc(Br)cc1 1857617443 AXGFJJKGZDVFJV-PPGNKHEKSA-N 395.322 3.392 0 1 GGAF CC[C@H](C)NS(=O)(=O)c1ccc(C=Cc2onc(C)c2NC(C)=O)cc1 1857618142 KJZAQAYJVDZJIN-LBPRGKRZSA-N 377.466 3.189 0 1 GGAF C[C@H](CNC(=O)c1ccccn1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1857646317 SEMARRWDTRQENS-OAHLLOKOSA-N 392.425 3.041 0 1 GGAF COC(=O)c1cc2cc([C@@H]3Nc4ccccc4C(=O)N3C)cc(C)c2oc1=O 1857744869 YOCPGJUGMSXHDZ-GOSISDBHSA-N 378.384 3.084 0 1 GGAF O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2c(F)cccc2F)CC1 1857769551 QDXJBBLFUJEDGE-UHFFFAOYSA-N 399.441 3.163 0 1 GGAF Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)N1CCOCC1 4034337 ZKSULNHWQCLGLE-UHFFFAOYSA-N 378.476 3.113 0 3 GGAF COc1ccc(Oc2ncc3ncc(=O)n(Cc4cccc(OC)c4)c3n2)cc1 4238462 HWPIPWZEGDERQZ-UHFFFAOYSA-N 390.399 3.044 0 1 GGAF CN(CCc1ccccc1)C1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1 26819706 LMDXUHPOCOVVEO-UHFFFAOYSA-N 391.515 3.350 0 1 GGAF C[C@@H](CCc1ccc(C(F)(F)F)cc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27743086 YTPRDMVYEYOTPX-KPZWWZAWSA-N 396.409 3.154 0 1 GGAF CCCCn1c(=O)c(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c(O)c2ccccc21 100759275 NTTDPWHRILLPCL-XYPWUTKMSA-N 384.476 3.289 0 1 GGAF O=c1[nH]c2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2[nH]1 28367681 RRVTXZNXVUUSMV-UHFFFAOYSA-N 390.409 3.240 0 1 GGAF CC(=O)OCC1=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12CC[C@](C)(CC(=O)O)O2 2356484192 LMKZVXRITQUETB-GPXNVTIDSA-N 394.508 3.466 0 1 GGAF CC(=CC(=O)OC(CO)CO)CC[C@]1(C)[C@H](C)[C@H](O)C[C@]2(C)C(C)=CCC[C@H]21 2356629891 SYTMXWLCUXDMOA-JYWLFISISA-N 394.552 3.379 0 1 GGAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc21)c1ccccc1 2356818665 DVBPPQUYOBVCHW-BHIFYINESA-N 375.516 3.190 0 1 GGAF CC[C@H]1CN(Cc2ccncc2)CC[C@H]1CC(=O)NCc1ccc2c(c1)OCO2 8254469 CWAWKFHMSMKSMK-PMACEKPBSA-N 395.503 3.365 0 1 GGAF biogenic CO[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)O 34717754 BAWRNEQKWMKMMK-LJQANCHMSA-N 382.416 3.309 0 1 GGAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@H]1CC[C@@H](O)CC1 1911572384 CAORZHIUFAMWOV-PHIMTYICSA-N 394.357 3.091 0 1 GGAF O=C(NC1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1)C1CC1 72185148 UJDHMXWMBARJNY-IBGZPJMESA-N 388.874 3.349 0 1 GGAF CCCCCN1C(=O)[C@](CC(=O)NC)(c2ccc3c(c2)OCO3)c2ccccc21 71340774 VWJGXSKSABHBTI-HSZRJFAPSA-N 394.471 3.374 0 1 GGAF OC[C@@H]1[C@@H](c2ccccc2)C2(CN(CCC(F)(F)F)C2)N1Cc1nccs1 95668629 OLVVJLCGBIHVOK-NVXWUHKLSA-N 397.466 3.110 0 1 GGAF COc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)C3=O)ccc12 147360009 AIGQDFSHUMBKLP-UHFFFAOYSA-N 391.475 3.028 0 1 GGAF CCOc1ccc2c(c1)n(O)c(-c1ccc(Br)cc1)c(N)[n+]2=O 377840781 FREXHHZSQJGDFZ-UHFFFAOYSA-N 377.218 3.204 0 1 GGAF CC(=O)OC[C@@H](O)[C@@](O)(CO)[C@@H]1C[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@@]32C)C1 473088001 HDYYOZGCKVOQKY-FCFLTHKLSA-N 396.568 3.293 0 1 GGAF CCNC(=O)Nc1cc(Nc2ccc(O)cc2)c(C(=O)Nc2cccnc2)cn1 299824773 IYJZRZIDVYDIHE-UHFFFAOYSA-N 392.419 3.320 0 1 GGAF Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)cc1F 653708738 KRPSMZMCBIONAB-UHFFFAOYSA-N 383.310 3.314 0 1 GGAF O=C1/C(=C/c2ccc3c(c2)OCO3)CC[C@@H]2[C@H]3CCCN4CCC[C@H](CN12)[C@@H]34 653799645 BZBJEDJIVKQWAO-VFNPYHMYSA-N 380.488 3.294 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(S)nc2O)N1 587842078 DAAXUKOYRRYLNA-ZIDLFYJRSA-N 384.274 3.170 0 1 GGAF COc1cc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2cc1F 586942063 ZRIPLICVMFXXDA-BQYQJAHWSA-N 375.425 3.109 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2NC(=O)c3ccccc3N2)N1 587795263 NZIABNRLYHPSSY-XQYJLFIXSA-N 390.256 3.345 0 1 GGAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587769558 GXGFGGKVHCTABU-ABKXIKBNSA-N 379.229 3.393 0 1 GGAF CN1CCN(c2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)CC1 587534204 BQPNLPVZQNJBJJ-SFHVURJKSA-N 383.517 3.480 0 1 GGAF COC(=O)C[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587775604 SFQVLLJKXUYZHE-ZMZPIMSZSA-N 393.256 3.324 0 1 GGAF CNS(=O)(=O)c1ccc(CCc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 586945765 BAMHWUDNOIPZLQ-UHFFFAOYSA-N 383.395 3.275 0 1 GGAF NC(=O)c1ccccc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657015 PXODRTNMIGXAOQ-UHFFFAOYSA-N 377.350 3.430 0 1 GGAF CCOc1ccc(-c2nn(C(=O)CN(C)C)c(=O)c3ccccc23)cc1OCC 587672368 URFFHWGFFVOFEG-UHFFFAOYSA-N 395.459 3.063 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cc4cc5c(cc4nc1O)OCCO5)[C@@H](C2)C3=O 587435155 CDOGWMZWGHXFMS-ZSEKCTLFSA-N 391.379 3.209 0 1 GGAF CCOC(=O)C(=O)C[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587792714 CGRCAFVMFSUSOG-BMLIUANNSA-N 386.261 3.250 0 1 GGAF Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)[C@@H](C)C1 1772635927 MWRCFJHYABVTIV-YVEFUNNKSA-N 397.928 3.168 0 1 GGAF COc1cccc(OCc2cc(C(=O)N3CCC([C@H](O)C(C)C)CC3)no2)c1 11662379 MTTWTYYDSBDTMM-HXUWFJFHSA-N 388.464 3.131 0 3 GGAF O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@H](O)Cc1ccccc1 13679961 UKYQQDBFPUUGLN-HSZRJFAPSA-N 392.543 3.076 0 1 GGAF COC(=O)/C=C/CNC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 169345862 GCVBQJMNYQUGJD-QPJJXVBHSA-N 387.823 3.443 0 1 GGAF CC(C)C[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C)c1ccccc1 208985977 VXCUNEZHDQNNQC-DCZASFAJSA-N 394.519 3.098 0 1 GGAF COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)COC2 13733616 KMSKVALFCBEDBB-UHFFFAOYSA-N 376.405 3.435 0 1 GGAF CO[C@@H]1OC[C@@]23[C@@H]1CCC[C@@H]2[C@@]1(C[C@H](c2ccoc2)OC1=O)[C@@H](C)C[C@H]3O 2356415419 KVKRTHRXHVCLRA-JABYCYAVSA-N 376.449 3.060 0 1 GGAF CCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21 3819881 QNEJJLNBHLVMLJ-UHFFFAOYSA-N 381.542 3.432 0 1 GGAF CCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 4533680 JZWGWGWMLLNIFN-WOJBJXKFSA-N 398.503 3.428 0 1 GGAF COc1ccccc1N1CCN(CC[C@@H]2CCc3ccc(N)cc3C2=O)CC1 103234128 SCLDUEJHYBBAHT-SFHVURJKSA-N 379.504 3.235 0 1 GGAF COC[C@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F 29044396 AQSBEEWBLQXYER-QMMMGPOBSA-N 396.287 3.323 0 1 GGAF O=C(c1ccc(Cl)cc1Cl)[C@@](O)(Cc1ccccc1)Cn1cncn1 26011709 AFQCVQPSMMHHRB-GOSISDBHSA-N 376.243 3.442 0 1 GGAF CCOC(=O)C1=C(C)N2CCO[C@]2(C)[C@@H](C(=O)OC)[C@H]1c1cccc(Cl)c1 105507888 SXTPDZQSMBLNMP-SQGPQFPESA-N 393.867 3.112 0 1 GGAF CCn1cnc2c(Nc3cccc(OC)c3)nc(N[C@H]3CC[C@@H](N)CC3)nc21 100821330 BSXHXBRBSQUJGH-HDJSIYSDSA-N 381.484 3.280 0 1 GGAF O=C1C[C@H]2CCN(S(=O)(=O)c3ccccc3)C[C@@H]2CCN1C1CCCCC1 2356307582 FAAQRUPYYCDKEW-MSOLQXFVSA-N 390.549 3.269 0 1 GGAF O=C(NCCNC[C@H](O)COc1cccc2sccc12)Nc1ccccc1 29216769 TVFCHGMLIYWIOT-INIZCTEOSA-N 385.489 3.052 0 1 GGAF CC=C(C)C(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(C)=O 2356727783 UGPGHYBHAGRUHW-MOPGFXCFSA-N 386.400 3.446 0 1 GGAF COc1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4sccc43)nc2)cn1 49073139 XYGZCUVDNQIUGP-UHFFFAOYSA-N 393.424 3.275 0 1 GGAF COc1cccnc1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1 143128917 QWLWWNLXWBCAPA-UHFFFAOYSA-N 386.459 3.346 0 1 GGAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc([C@H](C)O)nn12 96933395 LMGUYYRKCSRAIH-QMMMGPOBSA-N 381.219 3.350 0 1 GGAF Clc1ccc(-n2cc(CN3CCN(c4noc5ccccc45)CC3)nn2)cc1 653714973 LFIUYURHAZAVCT-UHFFFAOYSA-N 394.866 3.384 0 1 GGAF Nc1ccc(-c2ccc3nc(CCNC(=O)Cc4ccccc4)[nH]c3c2)cc1N 587228777 RAWDXUIGDMCXGS-UHFFFAOYSA-N 385.471 3.296 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(O)cc1)C(=O)O 587612388 UTPOYHSNBBEYCZ-AVRDEDQJSA-N 392.363 3.126 0 1 GGAF CCOC(=O)CNc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587509358 CGGCGQXGVVNPNU-GOSISDBHSA-N 381.432 3.037 0 1 GGAF COc1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594586 LWPKTWYVKOKEQZ-XMSQKQJNSA-N 389.363 3.210 0 1 GGAF CCOC(=O)Cc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587084475 BAFNYGCMHFQBKZ-UHFFFAOYSA-N 399.882 3.496 0 1 GGAF N=c1nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc(Cl)[nH]1 587655694 OGBOTUAGZPMKDN-UHFFFAOYSA-N 385.761 3.187 0 1 GGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(=O)n(C)c(O)n1 587858719 ALEVCSBTRHUOJA-UHFFFAOYSA-N 381.219 3.044 0 1 GGAF O=C1c2ccc(O)cc2O[C@@]2(CCN(C3CC3)C(=O)C2)[C@@H]1c1ccc(F)cc1 587343868 KXFQTBFOVILIDF-IFMALSPDSA-N 381.403 3.414 0 1 GGAF COC(=O)c1ccc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2c1 586973594 PPZAJBFFRCYUTC-SFHVURJKSA-N 383.473 3.460 0 1 GGAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc(N(C)C)n1 587573615 TVVMEEPDEODTAL-FXAWDEMLSA-N 377.400 3.260 0 1 GGAF O=C(Cn1nc(C(F)(F)F)c2c1CCC2)n1ncc2ccc(Cl)cc2c1=O 587651169 DWUUZGPXCSKCBI-UHFFFAOYSA-N 396.756 3.094 0 1 GGAF Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652247 ZKBJJBBHDWWBRX-SECBINFHSA-N 384.745 3.475 0 1 GGAF O=S(=O)(Nc1ccsc1-c1nc2ccnc(O)c2[nH]1)c1ccc(F)cc1 587170327 OOTQEUAWPYGAEC-UHFFFAOYSA-N 390.421 3.332 0 1 GGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586916501 MSBFTJGJAUNSQR-ASSNKEHSSA-N 377.400 3.110 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NCCSC 587869266 DZNRMRQWJPYNQT-UHFFFAOYSA-N 376.429 3.058 0 1 GGAF NC(=O)N1CCc2sccc2[C@]1(c1ccccc1)c1cccnc1C(=O)O 962693826 BBOCACNMPQQOCA-HXUWFJFHSA-N 379.441 3.070 0 1 GGAF COc1ccc2c(c1OC)[C@]1(c3ccccc3C(=O)[C@H]1C(C)=O)N(C)[C@@H](C)C2 962632639 UJGUGWIADJNQPP-DOYUUMQYSA-N 379.456 3.225 0 1 GGAF CCc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2ccccc2)cc1 13441895 YRDNHMBECOYFJB-FQEVSTJZSA-N 386.517 3.109 0 1 GGAF C[C@@H](c1ccc(-c2cccc(-c3nnco3)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14948246 IQLBIWJJBRDGRO-GKCIPKSASA-N 394.450 3.405 0 1 GGAF O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1 150260330 BWFWRODDHJECAZ-YJZQOORCSA-N 376.387 3.390 0 1 GGAF O=C(Nc1ccccc1)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 206017693 XOJSEHOOZWBZHL-UHFFFAOYSA-N 396.834 3.444 0 3 GGAF O=C1O[C@@H](CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CC1 209404213 NXSJZUVQWSGQBQ-QFIPXVFZSA-N 391.515 3.377 0 1 GGAF O[C@@](CN(Cc1ccccc1)C1CC1)(Cn1cncn1)c1ccc(F)cc1F 1857592390 ATRUCNMGKLMZKT-NRFANRHFSA-N 384.430 3.109 0 1 GGAF Cc1cc(-c2nc3cc(N(C)C)ccc3n2CC2CCOCC2)cn(C)c1=O 1857621304 JMEBODKNBXYSNM-UHFFFAOYSA-N 380.492 3.203 0 1 GGAF C[C@H](C(=O)N1CCc2cc(-c3nn(C)c4ncnc(N)c34)ccc21)c1ccccc1 1857771796 SEZXGHUWWXZDBC-AWEZNQCLSA-N 398.470 3.305 0 1 GGAF CC(C)OP(=O)(COCCn1cnc2c(N)nc(Cl)nc21)OC(C)C 5963080 LUEMTQVZPJWBSL-UHFFFAOYSA-N 391.796 3.079 0 1 GGAF c1ccc(CN2CCCN(c3ccc(-c4nc(C5CC5)no4)cn3)CC2)nc1 12447873 SVJVZCKPOKNKTQ-UHFFFAOYSA-N 376.464 3.116 0 1 GGAF CC(C)C(CC(=O)OC[C@@]1(CO)C/C(=C\c2cccc(O)c2)C(=O)O1)C(C)C 13704241 RVAQAGBJRHKGNK-NSKACUHBSA-N 390.476 3.315 0 1 GGAF O=C(CCCN1CCN(C[C@H]2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 22576260 UHYVILBATXSTKS-KRWDZBQOSA-N 398.478 3.445 0 1 GGAF CCCCc1c(OC(C)=O)c2cccnc2n(-c2ccc([S@](C)=O)cc2)c1=O 26256396 LQJSLNKJUPHLHG-MUUNZHRXSA-N 398.484 3.391 0 1 GGAF COC(=O)[C@@H](Cc1ccc(OCCOc2ccc3c(c2)CCCC3)cc1)C(=O)O 27103944 ZDDCTQTVSMCBOM-NRFANRHFSA-N 398.455 3.440 0 1 GGAF COc1ccc2nc(-c3ccccc3I)oc(=O)c2c1 27739112 MRDRPTZXNLZTEZ-UHFFFAOYSA-N 379.153 3.468 0 1 GGAF OC[C@H](O)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28525709 WPTONNKYVZALRU-HXUWFJFHSA-N 395.478 3.415 0 1 GGAF CSc1csc(Sc2cc3c(cc2NS(C)(=O)=O)COC3=O)n1 29341503 FCRDFQWYMOBSIT-UHFFFAOYSA-N 388.517 3.058 0 1 GGAF CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1C[C@@H](O)COc1ccccc1 40584957 MUPZFGWDDIBFHF-QGZVFWFLSA-N 396.443 3.175 0 1 GGAF COc1ccccc1CN1CCOc2ccc(CN3CCCC[C@@H]3CO)cc2C1 55042551 SFCTUWKEXJWWPG-JOCHJYFZSA-N 396.531 3.437 0 1 GGAF O=C(COCc1cncs1)N1CCN(c2ccc(Cl)cc2Cl)CC1 64550064 YWUPMKDQVIKKNJ-UHFFFAOYSA-N 386.304 3.315 0 1 GGAF CCCCCN1C(=O)[C@@](CC(=O)NC)(c2ccc3c(c2)OCO3)c2ccccc21 71340775 VWJGXSKSABHBTI-QHCPKHFHSA-N 394.471 3.374 0 1 GGAF CC(=O)N[C@H](C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@@H]3[C@@]12C)C(C)C 84603616 HZCZALMQVYCUGC-CXJSAQCFSA-N 391.508 3.005 0 1 GGAF CNc1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)ncc1C 101868281 DAHXLXBUJMKRKI-HDJSIYSDSA-N 375.423 3.258 0 1 GGAF C[C@H](Nc1nccc(N2CCOC2=O)n1)c1ncc(Oc2ccc(F)cc2)cn1 142121919 CFGMWTCUTVIBNE-LBPRGKRZSA-N 396.382 3.328 0 1 GGAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 169714232 WSTBUYSFCXEAIP-GXRSIYKFSA-N 393.483 3.481 0 1 GGAF N[C@H]1CCCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)C1 205246287 AUGGRGUVEXOOJJ-ZDUSSCGKSA-N 389.438 3.149 0 1 GGAF Cc1noc(C)c1-c1ccc2c(c1)[C@](c1ccccc1)(N1CC[C@@H](N)C1)C(=O)N2 219378792 HTDNSDJUZYAHLV-JPYJTQIMSA-N 388.471 3.187 0 1 GGAF Cc1ccccc1OC[C@H]1CN(CC(=O)N2c3ccccc3C[C@@H]2C)CCO1 222446362 HHTOEBWSVPCHMS-AZUAARDMSA-N 380.488 3.052 0 1 GGAF COC(=O)[C@@H]1CC(OC)=C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351629 NCMXAYWZXPIXCK-LQBOVUBWSA-N 398.386 3.352 0 1 GGAF CCOC(=O)COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587438829 IBVDEOHRXQIVEM-IVZQSRNASA-N 398.411 3.134 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)C(=O)O 587603847 PXOFRPOURVLHCC-PGRDOPGGSA-N 376.364 3.420 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cnn(C)c2)N1 587766459 WJCJQQRHUIZGQB-RMUSLGIISA-N 393.304 3.175 0 1 GGAF COc1cc(Br)ccc1[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962897911 LTWQKOGOXMAZGU-GOEBONIOSA-N 380.213 3.285 0 1 GGAF Cc1[nH]c([C@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)c1C(=O)O 962957557 BXTFRXRBRGAZTL-BBATYDOGSA-N 398.793 3.124 0 1 GGAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1ncc(Br)cn1 963065999 KVEUTYKQBYSMKD-SFHVURJKSA-N 385.265 3.205 0 1 GGAF C[C@]12C[C@H](OC(=O)c3ccccc3)C[C@@H]3C(=O)O[C@H](c4ccoc4)[C@H](OC1=O)[C@H]32 2356635695 GTVVKWIWARQEOM-UNVQJORHSA-N 396.395 3.061 0 1 GGAF CC=C1CN2[C@H]3Cc4c([nH]c5ccccc45)[C@@]2(C)C[C@@]1(C)[C@@]3(CO)C(=O)OC 2356723339 FPMSSLPOALHYRJ-JBJBFBLISA-N 380.488 3.131 0 1 GGAF COCCN(C(=O)Nc1ccc(OC)cc1OC)C1CCN(C(C)C)CC1 3958802 QGCQHWPKESLAOI-UHFFFAOYSA-N 379.501 3.057 0 3 GGAF COc1ccc([C@@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2C)cc1Br 4035177 BMPCFTVFJUUIBJ-HZPDHXFCSA-N 390.233 3.453 0 3 GGAF Cn1c2c(c3cc(S(=O)(=O)c4cnc5[nH]ccc5c4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632842 WWFDFCIJUZBZKD-GUYCJALGSA-N 392.484 3.237 0 1 GGAF CC(=O)O[C@]12CC=C(C)C=C[C@@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O 103567066 DMDYDVXEMCPQPC-SHYHHDQDSA-N 386.444 3.494 0 1 GGAF biogenic,in-vitro COc1ccc(OC[C@@H](N)CCSC)c2cc(-c3nc(C)no3)n(C)c12 103224949 VFNJZEUCJUBURY-LBPRGKRZSA-N 376.482 3.005 0 1 GGAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccccc2OC3)cc1 26673724 ARDUNDMCGGZTSG-UHFFFAOYSA-N 395.362 3.098 0 1 GGAF Cc1cc(CC(=O)O)ccc1-c1ccc(-c2nc(C(N)=O)c(C)nc2C)cc1 103298695 QDNUGALFHHNRBD-UHFFFAOYSA-N 375.428 3.462 0 1 GGAF Fc1ccc2nc(NCCCN3CCOCC3)nc(NCc3ccco3)c2c1 66139147 GHQRNEMJUVAECG-UHFFFAOYSA-N 385.443 3.108 0 1 GGAF CC(=O)N1N=C2/C(=C/c3ccccc3)CS(=O)(=O)C[C@H]2[C@@H]1c1ccccc1 29308811 BGAWLKHIMHPGRU-JNLGANJMSA-N 380.469 3.074 0 1 GGAF COc1ccc(C(=O)CSc2nc(Cc3cccc(O)c3)c(C)c(=O)[nH]2)cc1 29058547 MEWDHSVMIHYGBO-UHFFFAOYSA-N 396.468 3.358 0 1 GGAF Cc1cccc(C)c1NC(=O)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 61895735 BRLUBOVEGWNQIS-GVDBMIGSSA-N 398.484 3.349 0 3 GGAF C[C@@H]1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CCC(=O)[C@]56CO[C@H](C[C@H]1[C@H]2OC(C)(C)O4)[C@@H]36 503897809 MCAQGJLESVGGDM-MENAKKCKSA-N 388.504 3.142 0 1 GGAF biogenic CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)C2(Cc4ccccc4C2)C[C@H]3[C@@H]1C5 136104221 RTJUCZCOZIOVDY-DWYHVSQESA-N 387.479 3.025 0 1 GGAF C[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 82157688 XVKVWVSICFWXTJ-LLVKDONJSA-N 384.860 3.271 0 1 GGAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)CN(CC(=O)O)C3=O 198019711 GIIJGUFCRPQJIF-ZGNIOFJSSA-N 389.492 3.317 0 1 GGAF 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375.245 3.494 0 1 GGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4cccn4)c1)[C@@H](C2)C3=O 587432168 OLTFQXQFGNGNSI-JTSKRJEESA-N 376.412 3.437 0 1 GGAF COC(=O)[C@@H]1CC(OC)=C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351626 NCMXAYWZXPIXCK-JLMWRMLUSA-N 398.386 3.352 0 1 GGAF Oc1nncc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 586999983 IBEISKPEMHPUCH-UHFFFAOYSA-N 397.236 3.495 0 1 GGAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCCO3 587259494 JCAKXAJTRIPDCI-HNNXBMFYSA-N 396.447 3.041 0 1 GGAF CCOC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]n1 587795835 OTZSCYCNGTUBSX-VXJOIVPMSA-N 382.233 3.112 0 1 GGAF Cc1nn(Cc2nc3cc(Br)ncc3[nH]2)c(C)c1Br 586978717 CZJNRWUAUGGMLO-UHFFFAOYSA-N 385.063 3.345 0 1 GGAF CC(=O)N[C@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(C)cc1 587216656 IQGVJCRPRWHMIT-OAQYLSRUSA-N 392.503 3.123 0 1 GGAF N[C@@H](Cc1cccc(Br)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 586984779 URCVZGDXBNHSEZ-VIFPVBQESA-N 386.175 3.328 0 1 GGAF CCNC(=O)CCc1nc2cc(Br)c(Br)cc2[nH]1 587231234 UOEOJZNNLABZLM-UHFFFAOYSA-N 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CC(C)(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 169704157 BOGXBCHXRCHFDS-MRXNPFEDSA-N 382.443 3.133 0 1 GGAF COc1cc(C[C@H](C)O)ccc1Oc1cc(C[C@H](C)O)cc(OC)c1OC 1857562599 BMGFPMOVVJSUPC-KBPBESRZSA-N 376.449 3.351 0 1 GGAF CC(C)(C(=O)NCCc1ccccc1)n1cc(-c2ccc3c(c2)OCCO3)cn1 1857608802 LEBPTYYVDZIYBW-UHFFFAOYSA-N 391.471 3.415 0 1 GGAF C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C)c(N5CCCC5(C)C)nc34)[nH]c21 1857611394 XTWLLGKUEJXNPC-GFCCVEGCSA-N 391.475 3.112 0 1 GGAF CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COC(=O)c2cncc(Br)c2)C1 7782386 HVMFGZJHVDABCZ-RDTXWAMCSA-N 395.297 3.428 0 1 GGAF CCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 13472333 ZFWFVVFEJZLCTO-UHFFFAOYSA-N 388.391 3.398 0 1 GGAF O=S(=O)(NC(=S)Nc1ccc(Cl)cc1)c1cccc2snnc12 26381380 FPPAEYXIKXNVFD-UHFFFAOYSA-N 384.895 3.020 0 1 GGAF Cc1ccc2c(c1)OC[C@@H](CN1CCC(n3c(=O)[nH]c4cc(C)ccc43)CC1)O2 27883481 KCMJCGZQPVIBOK-GOSISDBHSA-N 393.487 3.423 0 1 GGAF CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)[C@@H](O)C[C@@H]1N1CCOCC1 33815049 BKTMHLZVNAXAGT-MYDTUXCISA-N 383.488 3.023 0 1 GGAF CCOC(=O)CO[C@@H](Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1 40407011 PFGBBZZZWKFPPW-KRWDZBQOSA-N 386.839 3.315 0 1 GGAF CC[C@@H]1C[C@H](OC(C)C)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40914531 MUEATHRPEZMEOE-ZBFHGGJFSA-N 380.876 3.479 0 1 GGAF O=C([C@@H]1C[C@H]1c1cccc(N2CCCCC2=O)c1)N1CCN(C2CCC2)CC1 59050730 GOTOYADHTXKQLS-LEWJYISDSA-N 381.520 3.004 0 1 GGAF CCCS(=O)(=O)Nc1cccc(C(=O)Nc2cnc3[nH]ccc3c2)c1F 72180663 KPBJUFVSOUYARH-UHFFFAOYSA-N 376.413 3.106 0 1 GGAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCCCOCCCC 82199171 NOFPOIUJBNGZEC-FUWPLEQBSA-N 382.545 3.062 0 1 GGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(CCC(F)(F)F)C23CN(C(C)=O)C3)cc1 95794234 QBBVDGDYCPTQTE-ZGQVYYGYSA-N 382.426 3.033 0 1 GGAF O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CCCC1)c1ccccc1 95895321 WZLVMEJMLWQZSP-DNVJHFABSA-N 378.516 3.436 0 1 GGAF CCn1cc(-c2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccn2)cn1 96176085 CVFVCJMGZREXHM-UHFFFAOYSA-N 389.459 3.269 0 1 GGAF CCCNC(=O)Cn1nc(N)c2c(C(F)(F)F)cc(-c3ccccc3)nc21 96934511 USAIJUVWZMHLME-UHFFFAOYSA-N 377.370 3.226 0 1 GGAF CN1CCN(CCNCc2cc(-c3ccccc3)nn2-c2ccc(F)cc2)CC1 96938550 OPDOFIMAGSIMIQ-UHFFFAOYSA-N 393.510 3.015 0 1 GGAF CC(C)Oc1nc(C2CC2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 103246878 XLONFDACTTUKCS-CHGPLWTDSA-N 376.522 3.477 0 1 GGAF CC(C)[C@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(NC(=S)NCc3ccccc3)C(=O)[C@@H]12 169304310 AMYFASUDBOAVHW-DVRVPYBTSA-N 397.544 3.179 0 1 GGAF CC(=O)Oc1ccc2c(c1)c1c(O)oc(=O)nc1n2CCCc1ccccc1 169721485 UPFZIGGJLDPFQK-UHFFFAOYSA-N 378.384 3.406 0 1 GGAF COc1ccc(/C=C(\Oc2ccc(/C=C/C(=O)O)cc2OC)C(=O)O)cc1O 238754928 VNYIROSWAJPVDY-ZMCAKAGVSA-N 386.356 3.012 0 1 GGAF C[C@H](O)[C@H](/C=C/C=C/C(=O)O)[C@H](C)C[C@H](C)[C@@H](O)CC(=O)c1ccc(N)cc1 253664972 KCSUEQGOSJTUAZ-FBKAJBKASA-N 389.492 3.059 0 1 GGAF O=C(O)CCC/C=C/C[C@@H]1[C@H]2CC[C@@H](O2)[C@H]1CNCC(=O)Nc1ccccc1 253898136 QNVZKLNFWSYJGO-ZNIFTXGVSA-N 386.492 3.210 0 1 GGAF CNS(=O)(=O)c1cc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)n(C)c1 586947321 LXZJZELEHNCASR-UHFFFAOYSA-N 382.445 3.269 0 1 GGAF FC(F)(F)c1ncc2nc(-c3nc(Cl)cnc3Br)nc-2[nH]1 587005919 ZPRMKYWSNWQVEQ-UHFFFAOYSA-N 379.527 3.196 0 1 GGAF CCOC(=O)C[C@@]1(c2cc(OC)cc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587397798 BJQSOMJKYBLOCQ-JOCHJYFZSA-N 399.443 3.408 0 1 GGAF CCn1c(C)cnc1[C@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963156021 ZPQTUVGKJFYFKE-QWHCGFSZSA-N 392.481 3.004 0 1 GGAF N[C@@H]1Cc2ccccc2[C@]12N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963175701 MITIIIIUHUVQSZ-JFIYKMOQSA-N 396.796 3.085 0 1 GGAF COc1ccc(-c2cccc(Cl)c2-c2cc3cnc(=N)[nH]c3nc2N)cn1 1857565794 BDEVPIKECQVERM-UHFFFAOYSA-N 378.823 3.411 0 1 GGAF CCCCNC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)nc2ccccn12 1857594892 CWORBOPLPJZUAX-HNNXBMFYSA-N 380.448 3.270 0 1 GGAF CO[C@@H]1O[C@@]23CC(=O)[C@@H]4[C@@]1(CC[C@]1(C)C(=O)CC[C@]41C)[C@@H]2CCC(=O)C3(C)C 2356535466 ALUMZZCQCVEYER-NOZLSENOSA-N 388.504 3.478 0 1 GGAF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2C[C@@H]2C2=C(COC2=O)[C@H]1[C@@H](C)CC=CC(C)(C)O 2356801246 QNTBFRRFWZRIKG-BQZATALTSA-N 376.493 3.417 0 1 GGAF CC[C@H](C)N(CCNC(=O)C[C@@H]1Oc2ccccc2NC1=O)C1CCCCC1 13132195 PNQNBVRMEPAKSF-JXFKEZNVSA-N 387.524 3.326 0 3 GGAF aggregator C[C@@H](Oc1ccccc1Cl)C(=O)NN1C(=O)CS[C@@H]1c1ccccc1 1863272 UGFCCGKPYLFONG-KZULUSFZSA-N 376.865 3.413 0 1 GGAF O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 4054044 DBKBGGCIYBTCQS-QKNQBKEWSA-N 376.412 3.221 0 1 GGAF Cc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)NCc4ccco4)c32)cc1 6916303 GJXLTRMZOAXZGH-UHFFFAOYSA-N 390.443 3.022 0 1 GGAF CNC(=O)c1ccc(C)c(Nc2ncnc3c2cnn3-c2ccccc2F)c1 29050535 CNLKCCXRGDSZMZ-UHFFFAOYSA-N 376.395 3.366 0 1 GGAF Nc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1 72177690 XPHRQEMVNFKEIN-UHFFFAOYSA-N 394.818 3.374 0 1 GGAF in-vitro CNC(=O)c1c(O)cccc1OC/C=C/c1cccc(-c2cc(C(=O)O)no2)c1 38896968 USRWEEKPTBFKIY-GQCTYLIASA-N 394.383 3.197 0 1 GGAF Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c[nH]c1=O 71294318 WGRQQVDBSQTUQY-ZSEKCTLFSA-N 380.398 3.039 0 1 GGAF Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCCCC1)CC3 82196178 HUOLNOKKSYBBLM-UHFFFAOYSA-N 390.487 3.394 0 1 GGAF CN(C)C(=O)c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1 84670561 XLHYODKNYXTWMA-UHFFFAOYSA-N 399.564 3.362 0 1 GGAF NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 82080933 VJDOMJPWBULRGG-LJQANCHMSA-N 385.423 3.321 0 1 GGAF Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1F 143213825 FHDFCUHMFXRKKA-HXUWFJFHSA-N 380.423 3.139 0 1 GGAF CCCCNS(=O)(=O)/C=C/c1ccccc1CCNC(=O)OC(C)(C)C 96019103 MGTWIKXFVRFKDE-NTCAYCPXSA-N 382.526 3.444 0 3 GGAF CCC[C@H](CC1(C(=O)N[C@H]2CC[C@@H](C(=O)N(C)C)CC2)CCCC1)C(=O)O 253638913 BFHMTMVYWRPPAG-ZACQAIPSSA-N 380.529 3.201 0 1 GGAF CCOC(=O)c1c(-c2ccc(Br)cc2)n(O)c2ccccc2[n+]1=O 377813143 SWSHSPRRGFPMOZ-UHFFFAOYSA-N 390.213 3.399 0 1 GGAF COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)[C@H](O)OC3 299869994 GQPSSDQTIDYSCV-OAQYLSRUSA-N 382.368 3.479 0 1 GGAF in-vivo O[C@@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@H]([C@H]3[C@H]5[C@@H]4[C@H]31)N2CCNc1ccnc2cc(Cl)ccc12 299840572 VKOVOJDEQBXENK-IVPAEFGSSA-N 379.891 3.061 0 1 GGAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 586945923 CXCABGGHDVXKLJ-ZDUSSCGKSA-N 391.880 3.341 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccnc(Br)c1OC)[C@@H](C2)C3=O 587416907 GBNSAOXVLAIEMN-XHDPSFHLSA-N 376.206 3.350 0 1 GGAF COC(=O)c1cc2[nH]c([C@H](N)Cc3c[nH]c4ccc(F)cc34)nc2cc1OC 587175124 PSGRVGCYCPVUCS-CQSZACIVSA-N 382.395 3.221 0 1 GGAF COc1cccc2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598597 YFZDZGYTIWLFPZ-VGSWGCGISA-N 389.363 3.210 0 1 GGAF NS(=O)(=O)c1cccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 586894995 KBTRXUQQOSZSKF-UHFFFAOYSA-N 379.441 3.037 0 1 GGAF N[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C1CC1 587255243 ADZWUQBUTYPUTH-MRXNPFEDSA-N 376.869 3.427 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CS(=O)(=O)C2)N1 587847426 XQEOCGQHGVPASI-QLJPJBMISA-N 390.318 3.162 0 1 GGAF CN(C)S(=O)(=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 587138281 FLLGCCDXQXNXFE-UHFFFAOYSA-N 383.395 3.016 0 1 GGAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(C)(C)C 587205368 QFNITRTZQFYEFG-CQSZACIVSA-N 397.497 3.292 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2=CC=CN3C=CN[C@H]23)N1 587792608 PLKMEQSMTJYBNI-VQTKTOELSA-N 376.273 3.494 0 1 GGAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587930931 ICHVCZLFFHRQRQ-FOIQADDNSA-N 385.489 3.267 0 1 GGAF COc1cc2c(cc1OC)[C@@]1(CCn3c(O)nc4cccc1c43)N(C)[C@H](C)C2 962569922 MOADQWUKGQRBML-DMZKTXOQSA-N 379.460 3.283 0 1 GGAF Cc1ccc(F)c(-c2cc(Nc3ccnc4cn(CC(N)=O)nc34)c(C)cn2)c1 1772625578 XVQAQEFIHMZUMY-UHFFFAOYSA-N 390.422 3.478 0 1 GGAF O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccc(F)cc3)cc2/C1=C/c1ccc[nH]1 1772648919 ZQBBZEFCJFEUEJ-ZMUHTPIZSA-N 391.402 3.110 0 1 GGAF CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CN2CCOC2=O)cc1 12316047 GWRGJUOFGAFFTI-SFHVURJKSA-N 396.491 3.116 0 3 GGAF COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC)cc1 14437235 KBYYZSYVUWCARH-UHFFFAOYSA-N 388.372 3.209 0 1 GGAF endogenous,in-man COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5cccc(OC)c45)[C@@H]3C[C@H]12 14594490 QXSGZNGSUBCBAZ-FHIHXZLISA-N 382.460 3.187 0 1 GGAF biogenic COc1cccc(-c2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n(C)n2)c1 150090278 MFMLESSMTNKOAG-OAQYLSRUSA-N 392.459 3.009 0 1 GGAF O=C(Nc1ccc(F)cc1)c1cccc(NC(=O)[C@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)c1 169336857 FEBWBIZCPPDNKH-RJMHMIJWSA-N 394.402 3.214 0 1 GGAF CC(C)(C)OC(=O)N1CCCN(Cc2nc3c4c(cccc4n2)C(=O)N=N3)CC1 169710150 HCCZACKGMPNIEH-UHFFFAOYSA-N 396.451 3.310 0 1 GGAF Cc1nccn1CCNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 1857651429 DRPBQNLIJBRIGI-MDZDMXLPSA-N 398.470 3.269 0 1 GGAF O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 1343479 MWABVAWPDWCXFT-DOMZBBRYSA-N 386.279 3.285 0 3 GGAF O=S(=O)(c1ccccc1)N1CCC2(CCCN(Cc3nccs3)C2)CC1 3956413 RAZFCMDURMUDAA-UHFFFAOYSA-N 391.562 3.210 0 1 GGAF C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)C1 6866675 UJMDTQMKAMHBRC-KKUMJFAQSA-N 376.522 3.041 0 1 GGAF CCOc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1ccccn1)C3)CO2 100049053 CXSICTNGOWISDM-DDOIHHOZSA-N 396.487 3.135 0 1 GGAF Cc1ccc(S(=O)(=O)[C@@H]2C(=O)N(C)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1C 101626636 ARPMGSDUMKEKFQ-LMNJBCLMSA-N 385.485 3.200 0 1 GGAF CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H](O)C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)CO)O2 45495621 KHMIKNKXBXQODQ-LITABXFQSA-N 384.557 3.410 0 1 GGAF COc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1OC)CC[C@@H]3N(C)CC2=O 84759168 NJPPDFNBRLXOQD-ZDUSSCGKSA-N 399.443 3.209 0 1 GGAF FC(F)(F)COc1cnc(Nc2ccc([C@H]3CNCCO3)cc2Cl)nc1 149994573 GKZIIVLHQPGYIY-CQSZACIVSA-N 388.777 3.476 0 1 GGAF CC(=O)O[C@@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1C[C@@]3(C)O[C@](C)(CC[C@H]3O)[C@H]2O1 238740913 WDBWGFYTOQTQAN-ZXPDHWDBSA-N 380.525 3.466 0 1 GGAF O=C1CCC2(CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)N1 587591705 DMWDCXOEVAAOQI-OSFYOIPJSA-N 379.412 3.315 0 1 GGAF COC(=O)C(=O)c1c(-c2ccncc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623438 GYEUTGZCWKAZDP-UHFFFAOYSA-N 399.204 3.224 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CCC(=O)OCC)(CC(=O)OCC)CC2=O 587477423 CFDAMTFIJHNDBM-NRFANRHFSA-N 392.448 3.345 0 1 GGAF CC1(C)OC(=O)C(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)=C1N 587255148 FXKDKFLAZZLQTA-UHFFFAOYSA-N 390.159 3.349 0 1 GGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2nn[nH]n2)c1 587592429 HCKXYRGHFDLDGI-FXAWDEMLSA-N 386.367 3.275 0 1 GGAF COc1ccccc1NC(=O)[C@H](N=O)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587389198 JHKPCQZDMKQOIY-AZUAARDMSA-N 383.404 3.083 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CC(=O)N(C)C1 587866001 ADOSRIDBAHCICX-GFCCVEGCSA-N 381.354 3.086 0 1 GGAF COc1cc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cn1 587113150 OPRAKKHZDAFVJM-KRWDZBQOSA-N 378.354 3.385 0 1 GGAF COc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1 1772571865 AXRIOSSELCTUQQ-UHFFFAOYSA-N 379.351 3.317 0 1 GGAF CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3ccc(F)cc3[nH]2)CC1 5963018 KOPAYFJVMRIEBO-UHFFFAOYSA-N 381.455 3.485 0 1 GGAF COc1cccnc1-n1ccnc1[S@@](=O)Cc1ccccc1-n1cccc1 13746312 NPDRAPQLYPGAJI-HHHXNRCGSA-N 378.457 3.374 0 1 GGAF COC[C@H]1Cc2cc3c(cc2[C@@H](c2ccc4c(c2)OCO4)[C@@H]1COC)OCO3 14435194 XNZRAIUXPDCEOA-ZDPZECHZSA-N 384.428 3.357 0 1 GGAF CCC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 14970698 ABCMLBFIEBJOLA-UHFFFAOYSA-N 377.448 3.373 0 1 GGAF CC(C)NC[C@@H](O)COc1ccccc1CNC(=O)c1ccc(Cl)cc1 169336701 WQJGCGMTGJVYRN-GOSISDBHSA-N 376.884 3.008 0 1 GGAF O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[S@](=O)c2ccccc2)o1 6772065 XIEYXTJTHLHMFO-HHHXNRCGSA-N 383.425 3.246 0 1 GGAF CCONC(=O)c1cn(C)c(=O)c(C)c1Nc1ccc(Br)cc1F 13679363 IKVITEMYFVVJFY-UHFFFAOYSA-N 398.232 3.020 0 1 GGAF O=C(CCNC(=O)c1ccccc1)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 28369570 AFBWBBDGWSYOIG-HXUWFJFHSA-N 399.922 3.241 0 1 GGAF Nc1nc2c(ncn2Cc2ccccc2C(F)(F)F)c2nc(-c3ccco3)nn12 28877496 KCXCGYNVNMJBKH-UHFFFAOYSA-N 399.336 3.383 0 1 GGAF O=C(/C=C/c1ccc(Br)cc1)N1CCN(C(=O)C2CCCC2)CC1 29323754 ZPSVWILEVDGYTC-JXMROGBWSA-N 391.309 3.323 0 1 GGAF C[C@@H](c1ccc(Cl)cc1)N1Cc2cncn2[C@@H](CC(C)(C)O)S1(=O)=O 58631231 FPYFDKXCMNWPRU-BLLLJJGKSA-N 383.901 3.103 0 1 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3 GGAF O=c1[nH]c2c(c3nc(-c4ccccc4Cl)nn13)CN(Cc1ccccc1)CC2 575235 YVTJNHLGZAHYSC-UHFFFAOYSA-N 391.862 3.296 0 1 GGAF COc1ccc2nc(COc3ccc(C[C@H]4SC(=O)NC4=O)cc3)[nH]c2c1 10257235 CUADXVBMFGPUEU-MRXNPFEDSA-N 383.429 3.045 0 1 GGAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(C(=O)COCc1ccccc1)C2 2356289601 FHNSMUKUNQVLLK-LJQANCHMSA-N 380.444 3.269 0 1 GGAF CCCCCCC(=O)NCCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26502810 UIBJCQCDZWJCPQ-MRXNPFEDSA-N 378.494 3.046 0 1 GGAF CSc1nn(-c2ccccc2)c2nc3n(-c4cccc(C)c4)cnn3c(=O)c12 103206244 FUCYAHZDILOHHZ-UHFFFAOYSA-N 388.456 3.249 0 1 GGAF COc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCOCC5)C[C@@H]3N4)cc2)c1 100108861 AJBUMCZTMHNJAQ-NUNAXRQHSA-N 392.499 3.055 0 1 GGAF O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)C1Cc2ccccc2C1 27074367 HBFPJNMHVFJGAS-UKMREHEOSA-N 398.499 3.086 0 1 GGAF CN(C)C(=O)C1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72103109 ZNCGZONAQWDLSY-GOSISDBHSA-N 392.425 3.385 0 1 GGAF CC(=O)N1CCN(CCCCC(=O)Nc2ccc(-c3cccnc3)cc2)CC1 45300185 SYPFXORROFBXRL-UHFFFAOYSA-N 380.492 3.022 0 1 GGAF Cc1nc2cccc(-c3cc4c([nH]3)[C@@H](C)NC4=O)c2nc1N[C@H]1CCC[C@@H](N)C1 222370109 DWZMCUJAYLNSOB-BNOWGMLFSA-N 390.491 3.420 0 1 GGAF CC(C)CNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2 82209204 OVDOGBOXESTXBL-IBGZPJMESA-N 390.487 3.141 0 1 GGAF COc1ccc(C2=NCCN2)cc1-c1ccnc2[nH]c([C@H]3CCCNC3)cc12 226063974 YCRDPNSPOUMPBF-HNNXBMFYSA-N 375.476 3.055 0 1 GGAF COCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccccc2F)n1 82152887 JVBZZPZICNKUCS-GJZGRUSLSA-N 386.471 3.459 0 1 GGAF CC(=O)[C@]1(O)[C@H](C)C[C@@H]2[C@H]3C[C@H](F)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 263591291 UOHQEFKIKABMNS-NIVFHWPLSA-N 382.516 3.019 0 3 GGAF Cc1ccc(N2CCCC2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)n1 473162674 HIBBJGYGOWTPSM-QYZOEREBSA-N 392.503 3.457 0 1 GGAF CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(CC(C)(C)C)cc12 299855365 AXPXRNSBQIHZMC-UHFFFAOYSA-N 395.463 3.230 0 1 GGAF CC[C@H]1C[C@H]2CN3Cn4c(c(COC)c5ccc(OC)cc54)[C@](C(=O)OC)(C2)[C@H]13 299831897 OTMISWKUNNTVAS-YOTMJQBJSA-N 398.503 3.299 0 1 GGAF O=C(NCCO)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O 653692103 FYXRSHLMYUUPTA-UHFFFAOYSA-N 395.436 3.180 0 1 GGAF NC(=O)N1Cc2ccccc2C[C@@H]1CN1CCC2(CCc3ccccc32)CC1 653747378 ADEPJPWGRSNLTK-OAQYLSRUSA-N 375.516 3.472 0 1 GGAF Cc1nc(O)c(C(N)=O)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986878 GMZRKIUWGOPNPN-UHFFFAOYSA-N 397.390 3.327 0 1 GGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCOCC4)c(F)c1)[C@@H](C2)C3=O 587426666 OSHRBGYPJDAZIL-KSFYIVLOSA-N 383.419 3.334 0 1 GGAF CC(=O)c1cnn(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587764810 RGXIFCQBQMYIQR-XYZCENFISA-N 380.261 3.322 0 1 GGAF CCOC(=O)[C@@H]1CSC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587616520 DGPAZRPHHZLNFE-ZSOFBXJNSA-N 386.425 3.019 0 1 GGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(=O)n(CC)c(O)n1 587867033 UNXWPVNSBBDJFI-UHFFFAOYSA-N 394.353 3.239 0 1 GGAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccnc(O)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239161 ISIRFEKMPKLPFR-GIQGCJHYSA-N 388.468 3.219 0 1 GGAF CN(C)C(=O)C[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587574199 VUVFRXHCNOXDNZ-BPSNYSSFSA-N 381.428 3.371 0 1 GGAF c1ccc(C[C@H]2N[C@@H](c3nc4ccc(CN5CCOCC5)cc4[nH]3)CS2)cc1 587040911 JKUPRANWAIUVLY-RTWAWAEBSA-N 394.544 3.341 0 1 GGAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc3c(c1)OCO3)CC2=O 587492449 QMCDLRGSJUBHSF-JOCHJYFZSA-N 398.411 3.497 0 1 GGAF COc1cc(N)c(I)cc1-c1nc2ccc(C)nc2[nH]1 587179254 SPWUYKXUESTKRF-UHFFFAOYSA-N 380.189 3.129 0 1 GGAF CCOC(=O)C[C@]1([C@H]2CCOC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616675 LTXCBJGSIUDOND-OSGPJOMKSA-N 398.411 3.082 0 1 GGAF C[C@@H](C(=O)O)n1cc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c2ccccc21 962927267 PQJCYGBDYLNVMN-LHSJRXKWSA-N 391.471 3.224 0 1 GGAF CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccc(OC)cc1)C(C)(C)C 13588286 JDATXQDDINQWAX-VQIMIIECSA-N 392.496 3.063 0 1 GGAF OCC[C@@H]1CN(Cc2ccc3ccccc3n2)CCN1CCc1ccccc1 19720695 JQWQBESBYPYLAM-HSZRJFAPSA-N 375.516 3.346 0 1 GGAF CCOC(=O)[C@]12CCCC3=C1N(CCC3)C(=O)[C@@H](CC(=O)N1CCCCC1)C2 201483140 ODGDJFJCVUJUPQ-JTSKRJEESA-N 388.508 3.019 0 3 GGAF CN1O[C@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N=C1c1ccccc1Cl 205212757 RHZCXSHUXQTVAL-LJQANCHMSA-N 387.823 3.437 0 3 GGAF CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1cccnc1Cl 1857604574 CPYIIDRFIFTEHM-UHFFFAOYSA-N 379.917 3.319 0 1 GGAF O=C(O)C[C@@H]1COc2cc(OCc3cn(-c4ccccc4Cl)nn3)ccc21 1857605977 FCYRSZKUIWIKAF-GFCCVEGCSA-N 385.807 3.450 0 1 GGAF COc1ccc2nc(C[C@H]3CN(C(=O)C4CCCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356361320 YVIRFMXDCVGJNE-CVEARBPZSA-N 399.491 3.244 0 1 GGAF Cn1c2ccccc2c2c(C(=O)N3CCOCC3)cn(C3CCCCC3)c(=O)c21 4905045 UIIVOHYBWRVPQD-UHFFFAOYSA-N 393.487 3.471 0 1 GGAF O=C(N[C@@H]1C=CC[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21)OCc1ccccc1 105471564 FJNBWKYPMHKHAW-IPMKNSEASA-N 376.412 3.047 0 1 GGAF CC(C)(C)OC(=O)CN1C(=O)[C@@H](NC(=O)c2ccccc2)CCc2ccccc21 29404029 JCOANMAHRRTNDA-SFHVURJKSA-N 394.471 3.106 0 1 GGAF CC=C(C)C(=O)O[C@@H]1CC=C(C)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@H](OC(C)=O)[C@@]21C 2356445394 AIRAUUXPYGGOPL-UGCGIRSSSA-N 390.476 3.350 0 1 GGAF Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4F)CC3)cccc2n1 28971675 GYKIQIOWVKCVBP-UHFFFAOYSA-N 381.455 3.224 0 1 GGAF in-vivo COc1cccc2c1CCC[C@@H]2NC(=O)CN1CCN(C2CCCCC2)CC1 66075704 JWRYZMCPPMCZRQ-NRFANRHFSA-N 385.552 3.139 0 1 GGAF C/C(=C\Cc1cc(C(=O)O)ccc1O)CC[C@@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1 38967107 UEDBFLUWLOXTGA-TUUPDKKASA-N 392.492 3.429 0 1 GGAF C[C@@]12[C@H]3C[C@H](C[C@@H]3F)[C@@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)S2(=O)=O 43194358 DPJKXHZJCPOPBS-RLPSOPLKSA-N 388.386 3.480 0 1 GGAF O=C1c2ccccc2S(=O)(=O)N1COc1ccc(OCc2ccccc2)cc1 88285894 AMEJVNRLXGUCBR-UHFFFAOYSA-N 395.436 3.447 0 1 GGAF CO[C@H]1CC[C@H](NC(=O)c2n[nH]cc2NC(=O)c2cc3ccccc3o2)CC1 299822005 MPPIFPJGAIUWJF-HDJSIYSDSA-N 382.420 3.096 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc3c2NCCO3)N1 587793758 KXHIQHQYEPBNSE-VVVCHXIZSA-N 378.245 3.411 0 1 GGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(C(=O)OC)cc3[nH]2)c1 586930929 QCCPVIGPXAGGJN-UHFFFAOYSA-N 387.461 3.047 0 1 GGAF O=C1C[C@@H](Cc2nc3cnc(Cl)[nH]c-3n2)c2c(Br)cccc2O1 587002315 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c1cncc(CN2CCc3sccc3[C@]2(c2cccnc2)[C@H]2CCNC2)c1 963018691 XXBLJJSDLWEHKT-UGKGYDQZSA-N 376.529 3.450 0 1 GGAF Cc1cc2c(cc1C)C(Cl)=C(COC[C@@H](O)CN1CCN(C)CC1)CCC2 1772645992 FOPWTYVRRQHKTK-FQEVSTJZSA-N 392.971 3.215 0 1 GGAF COc1ccc(C(=O)NC2CC2)cc1OC1CCN([C@H](C)CSC)CC1 11997632 AQQHFQNOUFVHET-CQSZACIVSA-N 378.538 3.182 0 3 GGAF O=C(O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(Cl)cc12 13860790 RQVFDJCEHLLOER-UHFFFAOYSA-N 385.832 3.335 0 1 GGAF COC[C@H](C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12 169686687 KWKYOARFCVYPFU-VIFPVBQESA-N 390.440 3.395 0 1 GGAF Cc1c(CC(=O)N[C@H](C)C(=O)O)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 6075914 JBBWJTWWKIIEMQ-GFCCVEGCSA-N 397.427 3.167 0 1 GGAF biogenic CC(C)(C)c1cc(/C=C2\CCN(CC(=O)O)S2(=O)=O)cc(C(C)(C)C)c1O 13558277 HMWUDWRDSPALGF-NTEUORMPSA-N 395.521 3.448 0 1 GGAF Cc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1F 22941521 CKZRNAAKFUZSKI-GOSISDBHSA-N 381.495 3.230 0 1 GGAF c1ccc(CN2CC[C@@H]3CN(c4ncnc5oc(-c6ccncc6)nc45)C[C@@H]32)cc1 28095990 ZRQSQJJJAAWHOY-MOPGFXCFSA-N 398.470 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WGHBZOXOKSMGIB-UHFFFAOYSA-N 394.216 3.437 0 1 GGAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 587242678 XHVYRDUSOSHBAZ-UHFFFAOYSA-N 386.477 3.252 0 1 GGAF O=C1c2ccc(O)cc2O[C@]2(CCN(C3CC3)C(=O)C2)[C@@H]1c1ccc(F)cc1 587343870 KXFQTBFOVILIDF-IRLDBZIGSA-N 381.403 3.414 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)c4ccnn4C)cc1)[C@@H](C2)C3=O 587432445 OTXGBVQJWSNIPI-HRAATJIYSA-N 390.395 3.137 0 1 GGAF COCCOCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441694 LYCHIWSIWMILLP-GCJKJVERSA-N 384.428 3.226 0 1 GGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC[C@H]4CO4)c(OC)c1)[C@@H](C2)C3=O 587456732 XUFOIONGVODHSN-VVBPWWLESA-N 382.412 3.144 0 1 GGAF COC(=O)[C@@H]1CSCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587858615 SCZNMKNIVKBBIO-ABYOOWDOSA-N 388.302 3.244 0 1 GGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc(Br)cn1 587869489 KTRHVVORMVNPHJ-UHFFFAOYSA-N 393.216 3.387 0 1 GGAF Cc1ccc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)cc1 653878768 LIAMCNSNBOKLAN-TWPTVVAISA-N 389.473 3.446 0 1 GGAF O=C(O)[C@@H]1[C@H]2C[C@@H]([C@H]1C(=O)O)[C@@]1(C2)NCCc2cccc(-c3ccccc3)c21 962671048 RMYZESZSOFXIKS-QRKOTVDWSA-N 377.440 3.136 0 1 GGAF CC(C)NC[C@@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963224447 CIWRBPGQFSPTIV-GGAORHGYSA-N 375.472 3.075 0 1 GGAF CO[C@@H]1O[C@@H]2C[C@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@@H]3CCC[C@H]1[C@@]23CO 2356385638 SUPRLOYYPNFRNB-AHTCUCGFSA-N 376.449 3.060 0 1 GGAF COC(=O)CC[C@]1(C)C2=C(CC[C@@H]1[C@H](O)CO)[C@@H]1CC[C@H](C(C)=O)[C@@]1(C)CC2 2356464018 UTMLHIJEESKUJZ-WYXPGKNVSA-N 392.536 3.421 0 1 GGAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)[C@@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@@]21C 2356770453 SCCGQICCMKBLST-FAQBNAJNSA-N 392.536 3.108 0 1 GGAF Cn1c(C(=O)N2CCC[C@@H](C(=O)NCc3cccs3)C2)cc2sccc21 4110477 LRROWIIMWPCBLZ-CYBMUJFWSA-N 387.530 3.470 0 3 GGAF COc1ccccc1CNc1ccc2c(c1)OC[C@H](CC(C)C)NS2(=O)=O 96021183 QABMLUWRSCWWHS-KRWDZBQOSA-N 390.505 3.393 0 3 GGAF COC(=O)N1C[C@H](OCc2ccc3c(c2)OCO3)[C@H]2C[C@@H]1c1ccccc1O2 199735388 SUFFWOXNGYRTLV-YSGRDPCXSA-N 383.400 3.275 0 3 GGAF Cc1cc(-c2ccc3c(c2)[C@@H](NC(=O)c2cccnc2)[C@H](O)C(C)(C)O3)ccn1 538384 ZBDBTENIDJUUDX-RTWAWAEBSA-N 389.455 3.455 0 1 GGAF COC[C@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O 1541445 LGTDPHWEMZETGW-INIZCTEOSA-N 384.432 3.233 0 1 GGAF C[C@H](NS(=O)(=O)c1ccccc1)c1c(-c2ccc(F)cc2)noc1C(=O)O 2356302360 SUZZFUAIXWTBDG-NSHDSACASA-N 390.392 3.218 0 1 GGAF O[C@@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@H]1CNCc1ccccn1 2356380024 OOKCOPOYSPEXHP-VWPQPMDRSA-N 397.450 3.117 0 1 GGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NC[C@@H](O)CC)c1 4049358 HFAAIRIRBCRQMA-CUWPLCDZSA-N 382.460 3.064 0 1 GGAF CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4080175 OLMMJABXZMMTJB-RDJZCZTQSA-N 376.840 3.160 0 1 GGAF CC(=O)O[C@@H]1C2=C(C)[C@H](OC(C)=O)C[C@@]23[C@@H](C)[C@H](OC(C)=O)C[C@H]1C3(C)C 104381307 LCYMMMXHRHJXJB-ZGJHWPONSA-N 378.465 3.184 0 1 GGAF in-man O=C(CSc1nc2nncc-2c(O)n1-c1ccccc1)NC1CCCCC1 103976379 QDPZTWVHBSOSML-UHFFFAOYSA-N 383.477 3.014 0 1 GGAF O=C(CCSc1nnc(Cn2nnc3ccccc32)o1)Nc1ccc(F)cc1 103207066 WSCNWWNKXMOLGO-UHFFFAOYSA-N 398.423 3.123 0 1 GGAF CN(C)c1ccc(-c2cc(-c3cccc(C(N)=O)c3)c3c(N)ncnc3n2)cc1 27993981 KLNKQPZGZRXALH-UHFFFAOYSA-N 384.443 3.106 0 1 GGAF CC(=O)OCC1=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2 2356484191 LMKZVXRITQUETB-FVQLTZBISA-N 394.508 3.466 0 1 GGAF CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)C1)N(C)c1cc(OC)ccc14)[C@H]32 2356494631 KILNDJCLJBOWAN-XPWALMASSA-N 380.488 3.254 0 1 GGAF CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)n2c1nc1c(c2=O)C=CC=CO1 2356717563 UOBOWSHNMYJJFQ-WBAXXEDZSA-N 377.444 3.163 0 1 GGAF NC1=N[C@@H](c2ccc(F)cc2)NC(NCCc2ccc(Cl)c(Cl)c2)=N1 71294558 CPBOZDBYWDDKBA-OAHLLOKOSA-N 380.254 3.237 0 1 GGAF NS(=O)(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)cc1 87613230 RAOIIZFWMFAGEK-UHFFFAOYSA-N 393.831 3.404 0 1 GGAF CCc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccco2)s1 82165813 YGXASSSQUJLPRQ-GFCCVEGCSA-N 383.477 3.124 0 1 GGAF CC(C)[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12 95603968 MUMCBMXUGZFFMH-LBPRGKRZSA-N 375.523 3.390 0 1 GGAF Nc1ncc(-c2ccc(C3(c4noc(-c5cscn5)n4)CCC3)cn2)cn1 96175426 KMBBAXHUANGQNJ-UHFFFAOYSA-N 377.433 3.097 0 1 GGAF O=C(COc1ccccc1)N1CCCC[C@H]1c1cc(=O)n(-c2ccc(F)cc2)[nH]1 299858007 PMKZKFGGASYAGJ-FQEVSTJZSA-N 395.434 3.437 0 1 GGAF COC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1C 587758367 WUYSWCMCVPYPMT-JDNHERCYSA-N 381.245 3.337 0 1 GGAF O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccccc3[nH]2)c1 586951753 XXEKKAPVXRWNGO-UHFFFAOYSA-N 392.278 3.433 0 1 GGAF CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526912 UZLCTSNXNQTJJX-VGOFRKELSA-N 388.460 3.422 0 1 GGAF Cc1c(C)c2ccc(OCc3ccc4c(O)nc(O)nc4n3)c(C)c2oc1=O 587563645 UUZACWJZVGUGGB-UHFFFAOYSA-N 379.372 3.047 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCC(N)=O)c2)N1 587749709 QEQQTSCILHHPDU-YPMLDQLKSA-N 393.256 3.076 0 1 GGAF COc1nccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 587002230 XRHMIMUIIRTSPI-LBPRGKRZSA-N 386.253 3.453 0 1 GGAF CCOC(=O)CCOCCCOCCc1nc2cc(OC)c(Cl)cc2[nH]1 587566517 QNBYKIQSRVMKRV-UHFFFAOYSA-N 384.860 3.144 0 1 GGAF CSc1ncc([C@@]2(C)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)[nH]1 962716018 QBZPCQZPTLLUMN-ABAIWWIYSA-N 389.374 3.152 0 1 GGAF Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(C)C2=O)c1 13732991 FEOFIDRZRJFJTQ-NRFANRHFSA-N 399.454 3.352 0 1 GGAF COc1cc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)n2)cc(OC)c1OC 169351919 RALBUVBQCKDLJV-UHFFFAOYSA-N 381.388 3.147 0 1 GGAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)nc(C(C)(C)O)c12 209357156 PCLOKEQHNFQMJW-SNVBAGLBSA-N 387.415 3.216 0 1 GGAF O=c1c2c([nH]c3ccccc13)[C@H](c1ccc(CCO)s1)N(c1ncccn1)C2 1857640646 TTZKMTAZDCCSHS-IBGZPJMESA-N 390.468 3.024 0 1 GGAF CC(C)(C)c1cc(C[C@@H]2CC[C@H](O)[C@H](CNCc3cccc(F)c3)O2)no1 2356302486 WQPKGYQZSQQOIN-FHWLQOOXSA-N 376.472 3.352 0 1 GGAF C[C@H](OC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2)C(=O)Nc1ccc(N2CCOCC2)cc1 101686969 HRONWSQSJGBSHP-BSDSXHPESA-N 386.492 3.220 0 1 GGAF CN1CC[C@H](n2cc(S(=O)(=O)c3cccc(Cl)c3)c3cccnc32)C1 28862227 SQIGGQMSAKYOHI-AWEZNQCLSA-N 375.881 3.399 0 1 GGAF O=C(N[C@H]1[C@@H]2CN(Cc3cccs3)C[C@@H]21)[C@@](O)(c1ccccc1)C1CCCC1 101118659 LXIALTLABOSJMM-BESBDSHLSA-N 396.556 3.373 0 1 GGAF O=C(Nc1cccnn1)N1CCN(c2cncc(-c3ccc(F)cc3F)c2)CC1 103267358 WKZHWFTXNOBZBB-UHFFFAOYSA-N 396.401 3.171 0 1 GGAF CC(=O)c1cc2c(s1)[C@@H](NC(=O)c1ccc(F)c(F)c1)[C@H](O)C(C)(C)O2 28769485 MRSZVQYLIPZSIM-ZBFHGGJFSA-N 381.400 3.232 0 1 GGAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2)C[C@@H]2S[C@@H]21 26477042 MHCZHBYADWKMCQ-QRQYHESCSA-N 381.519 3.039 0 1 GGAF CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)C1)N(C)c1cc(OC)ccc14)[C@@H]32 2356494629 KILNDJCLJBOWAN-RJGXRXQPSA-N 380.488 3.254 0 1 GGAF C[C@H]1Cc2cc(Cl)cc3[nH]c(=O)c(=O)n(c23)[C@H]1CC(=O)Nc1ccccc1 29333863 VUSWALRKFYHWTM-ZBEGNZNMSA-N 383.835 3.105 0 1 GGAF NC(=O)c1ccc2[nH]c(-c3ccc([C@@H](O)c4ccc5c(c4)OCO5)cc3)nc2c1 116015599 QDJIHRMKNXHUES-HXUWFJFHSA-N 387.395 3.139 0 1 GGAF COc1ccccc1-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 64559223 LDIYYAGYHGPEPK-LBPRGKRZSA-N 382.489 3.235 0 1 GGAF COc1ccc2nc(C)cc(-n3cc(CNC(=O)c4ccccc4F)nn3)c2c1 71295325 BQQDBAPTBRVMQB-UHFFFAOYSA-N 391.406 3.202 0 1 GGAF Cc1cccc(CNC(=O)[C@@H]2CCN(Cc3nc(-c4ccccc4)oc3C)C2)n1 71340650 QOIZSEBFZHNIOK-LJQANCHMSA-N 390.487 3.492 0 1 GGAF CC(=O)Oc1ccc(-c2cc3c(OC(C)=O)cc(OC(C)=O)cc3oc2=O)cc1 15973879 DEAICYAWNFZQKF-UHFFFAOYSA-N 396.351 3.236 0 3 GGAF biogenic C[C@H](c1nc(O)c2oc3ccc(Br)cc3c2n1)N1CCN(C)CC1 84713477 SLRQWILFIQMPFZ-SNVBAGLBSA-N 391.269 3.153 0 1 GGAF N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2Cl)c(Cl)c1 40953444 XKAJBFFAKLNUJT-UHFFFAOYSA-N 381.263 3.409 0 1 GGAF O=S(=O)(c1ccccc1)c1cc(Cn2ccnc2)c2oc3c(c2c1)CNCC3 147613465 WXOWZGPZIOUGHS-UHFFFAOYSA-N 393.468 3.156 0 1 GGAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1)C1CC1 261170496 SVONVXKDHRPGFI-UAPYVXQJSA-N 396.535 3.425 0 1 GGAF C[C@@H]1CN(c2cc(F)ccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 473106528 XNFBWAVTBOEFJJ-LLVKDONJSA-N 388.349 3.496 0 1 GGAF COc1cccc(C(=O)c2ccc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cc2)c1 587929979 DVDCNMXXMDXLAK-UHFFFAOYSA-N 396.410 3.445 0 1 GGAF CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587151775 ISPBFFIKMXKAIX-CHWSQXEVSA-N 377.416 3.363 0 1 GGAF COc1cncc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586970317 WWMDSKKBDIVEDK-UHFFFAOYSA-N 383.389 3.038 0 1 GGAF COC(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2n1 587042447 JUNKSHKULCHRJT-ZDUSSCGKSA-N 388.836 3.053 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3n2C=CCC3=O)N1 587771239 BTQHZXBHLCVOOM-ABKXIKBNSA-N 376.229 3.465 0 1 GGAF COc1cc2c3c(c1)OC1(CCN([C@@H](C(=O)O)c4ccccc4)CC1)[C@@H](C2)C3=O 587434581 BBBAQEBEZJEVHS-FXAWDEMLSA-N 393.439 3.103 0 1 GGAF N[C@@H](N=O)c1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 587111713 OKIKLPUYCNVJDN-HNNXBMFYSA-N 377.326 3.235 0 1 GGAF CCOC(=O)C[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526914 UZLCTSNXNQTJJX-VGSWGCGISA-N 388.460 3.422 0 1 GGAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586915921 JFBRIWGPNSFCCI-IFXJQAMLSA-N 386.429 3.026 0 1 GGAF CN(C)/C=C/[C@]1(c2ccnn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581448 LGBOVNVOJHIULH-XYLWYCRCSA-N 391.427 3.058 0 1 GGAF CCOc1cc(/C=C/c2nc3c(N)ncnc3[nH]2)cc(Br)c1OC 586978567 XBKTZJWOVMSRKL-SNAWJCMRSA-N 390.241 3.275 0 1 GGAF COc1cccc2c1[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587799432 XCBOFTTYFVSDBW-NIVTXAMTSA-N 391.240 3.327 0 1 GGAF Oc1cc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)nc(O)n1 963830504 BHDIXMCMZSNRLO-NRFANRHFSA-N 388.427 3.183 0 1 GGAF CC(=O)[C@@H]1C(=O)N2CCc3cccc(c32)[C@@]12c1ccc(F)cc1C[C@H]1CCCN12 963094051 LBXKTSUJAWCWBB-JLGINSKQSA-N 390.458 3.198 0 1 GGAF COC(OC)[C@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C(=O)C2=CO[C@@H]1C 206332073 PRDPORMIEUKBDK-LOWRVKSDSA-N 382.460 3.151 0 1 GGAF CCCCc1nc2c(=N)[nH]c3cc(C(=O)OC)ccc3c2n1CCCCCN 1857641057 JEGPXIRROZENJQ-UHFFFAOYSA-N 383.496 3.255 0 1 GGAF F[C@H]1CN(Cc2ccc3ccccc3n2)C[C@H]1OCc1nc2cccnc2[nH]1 2356305323 VAJGDHKSULACSO-QFBILLFUSA-N 377.423 3.245 0 1 GGAF COc1cc2c(cc1OC)C(=O)[C@@H]1c3cc(OC)c(OC)cc3CC(=O)[C@@H]1CC2 2356329072 RRWBGJAHMCDNMY-FPTDNZKUSA-N 396.439 3.375 0 1 GGAF CC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)c1csnn1)c1ccccc1 4964596 KIVUAWGSHHQPHH-MRXNPFEDSA-N 384.461 3.434 0 3 GGAF O=C(NC[C@@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccsc1 27521699 BZBKMUBYKZFQOT-SFHVURJKSA-N 393.443 3.475 0 1 GGAF CN(CCc1ccccc1)C1CCN(C(=O)c2cccc3[nH]c(=O)ccc23)CC1 26822456 FGTGWMWQTFQUIF-UHFFFAOYSA-N 389.499 3.307 0 1 GGAF CNC(=O)c1cn2c(-c3ccc(Cl)cc3)nc3c(NC)c(F)cc(c1=O)c32 101682223 MNSZAJRYEBCZNE-UHFFFAOYSA-N 384.798 3.146 0 1 GGAF COc1ccc2c(C(=O)N(C)Cc3cccnc3)cc(-c3cnn(C)c3)nc2c1 20322336 XINQPAMVMGYMHU-UHFFFAOYSA-N 387.443 3.311 0 1 GGAF COc1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)cc1 117209467 QSHJSYZBWBFQIJ-UGSOOPFHSA-N 382.485 3.369 0 1 GGAF CC(=O)C[C@@]1(O)CC2(Oc3cccc4cccc(c34)O2)c2cccc(O)c2C1=O 2356721365 BZOJTNLXPLGYIH-JOCHJYFZSA-N 390.391 3.466 0 1 GGAF CC(=O)Nc1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@@H](C)CNC4=O)c1 28902090 ZUYNCVDOWWSWTM-NSHDSACASA-N 376.416 3.226 0 1 GGAF COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](N(C)C)CC2 1595463 NDKXARFZWSQXGE-MRXNPFEDSA-N 385.460 3.297 0 1 GGAF biogenic CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]ccc3c2)cc1 35815878 TZAAYYHCMUYQJR-UHFFFAOYSA-N 388.470 3.431 0 1 GGAF C[C@H](Nc1cnc2c(c1)OCCO2)C(=O)Nc1ccc(Br)cc1 1911574444 TXQJPKJZSLXBIE-JTQLQIEISA-N 378.226 3.054 0 1 GGAF COc1ccc2c(=O)cc(-c3ccccc3)oc2c1[C@@H]1[C@H](O)OC(C)(C)[C@@H]1O 14721611 XOVMVTBGLHJLEX-CEWLAPEOSA-N 382.412 3.040 0 1 GGAF biogenic COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc2)cc1 73298291 RXPYXAZILHXMBF-LOHFZDIYSA-N 390.439 3.483 0 1 GGAF CNCCCCN1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O 49047276 JLHRDEJKVFNGBV-UHFFFAOYSA-N 381.448 3.163 0 1 GGAF Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1 141282344 WSUAOLLSBOXJQL-UHFFFAOYSA-N 392.337 3.311 0 1 GGAF CCCNC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)CC 95601283 YRDHNJKOBIPBLO-TUNNFDKTSA-N 399.535 3.028 0 1 GGAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2OCCC2CC2)c2cc[nH]c2c1=O 146315746 WULUMURXICTAGJ-UHFFFAOYSA-N 386.473 3.116 0 1 GGAF CC(C)N1c2nc(-n3ccnc3-c3ccc(F)cc3)ncc2N(C)C(=O)C1(C)C 96272643 RCTLMZOWMCIZPV-UHFFFAOYSA-N 394.454 3.438 0 1 GGAF Cc1cc2ncc3c(n2n1)CN([C@H]1CC[C@H](c2cc(F)ccc2F)[C@@H](N)C1)C3 653916430 YKWZEQPGFWMFQD-FCEWJHQRSA-N 383.446 3.295 0 1 GGAF CC[C@@H](c1nc2cc(F)cnc2[nH]1)n1cc(I)c(C)n1 587185337 LAXQVCUEEYHHNB-NSHDSACASA-N 385.184 3.206 0 1 GGAF CCOC(=O)[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587773063 HUNDAHPSYXEDNU-ADLMAVQZSA-N 393.256 3.324 0 1 GGAF COc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cc1C 587023396 AMJVIFSLTSMJQC-UHFFFAOYSA-N 394.460 3.365 0 1 GGAF COC(=O)c1cc(Br)c2nc(-c3ccc(NC(N)=O)cc3)[nH]c2c1 587243891 SMDJOOXDSJDXPG-UHFFFAOYSA-N 389.209 3.270 0 1 GGAF O=S(=O)(c1ccc(Cl)c(-c2nc3cncc(Cl)c3[nH]2)c1)N1CCC1 586954840 AFCSBPUKLRULAS-UHFFFAOYSA-N 383.260 3.326 0 1 GGAF [O-][n+]1ccccc1SCc1nc2cccc(I)c2[nH]1 586969924 QNCNSHPPMREYLW-UHFFFAOYSA-N 383.214 3.093 0 1 GGAF Cc1c(-c2ccccc2OCC(=O)N(C)C)[nH]c2ccc(S(C)(=O)=O)cc12 587650377 KLPIBTOVRZQCJE-UHFFFAOYSA-N 386.473 3.014 0 1 GGAF Nc1cc(C(=O)O)ccc1Cc1nc2ccc(I)cc2[nH]1 587249365 JNJZYVSEFVIKQG-UHFFFAOYSA-N 393.184 3.039 0 1 GGAF CSc1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 587136410 ZZLBPFJXQODCQT-UHFFFAOYSA-N 387.408 3.181 0 1 GGAF COc1cc([C@H]2c3cc4c(cc3O[C@](C)(O)[C@@H]2C)OCO4)cc(OC)c1OC 16952046 QSGVFQHJEFDOAR-VKFHIQHVSA-N 388.416 3.310 0 1 GGAF NCC[C@@H]1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1 205264559 FDUVDOYSKNJROE-OAHLLOKOSA-N 385.475 3.257 0 1 GGAF Cc1ccc(CN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)C2CC2)cc1 1857560395 CUBKEICSDQLUCO-QFIPXVFZSA-N 398.457 3.417 0 1 GGAF COc1cccc(Nc2ncc3c(n2)N(C2CCCC2)Cc2nnc(C)n2-3)c1 1857608232 VSOWNIFFOABWQQ-UHFFFAOYSA-N 377.452 3.381 0 1 GGAF CC(=O)c1cccc([C@H]2CS(=O)(=O)Oc3c2c(C)nn3-c2ccccc2)c1 1857611189 QIYYYAUEUOWCFY-GOSISDBHSA-N 382.441 3.237 0 1 GGAF COc1ccc2nc(C[C@@H]3CN(C(=O)CC(C)C)CC[C@H]3CC(=O)O)[nH]c2c1 2356328489 VXXRVINVYYKRET-LSDHHAIUSA-N 387.480 3.100 0 1 GGAF COc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCCC2)S3)c1 3008046 VGYVOOPZUOLXFD-OAQYLSRUSA-N 397.500 3.091 0 1 GGAF Cc1ccccc1-c1nc(CN2CCC(C(=O)NC[C@@H]3CCCO3)CC2)c(C)o1 4078206 VJDQCOHHIVWHFY-IBGZPJMESA-N 397.519 3.466 0 3 GGAF NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2cccc(O)c2)cc1 58574913 OHXVCEFKNDOBCJ-QFIPXVFZSA-N 399.450 3.367 0 1 GGAF CCCC[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@@H](C)[C@H]12 101494680 DTVYAHOULQCSMS-DSMOWQLXSA-N 387.476 3.090 0 1 GGAF Cn1cc(CN2C[C@@H](F)[C@H](OCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cn1 2356299474 IDAFEOXLJPBULO-CZUORRHYSA-N 397.376 3.054 0 1 GGAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](OCCO)CC(=O)[C@@H]1CCCCCCC(=O)O 28009210 RAPBVWBTYMPALA-RCDOCOITSA-N 398.540 3.492 0 1 GGAF Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)o1 110652391 DAACUMHLEGOAHT-MOPGFXCFSA-N 392.386 3.274 0 1 GGAF COc1ccc(C=C2C(=O)OC[C@H]2Cc2ccc3c(c2)OCCO3)cc1OC 2356574395 YNVZSDKDLGZWAV-MRXNPFEDSA-N 382.412 3.274 0 1 GGAF Fc1ccc2nc(CO[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]3F)[nH]c2c1 2356698429 VQSHQACHEFSSJN-LIRRHRJNSA-N 387.386 3.170 0 1 GGAF C[C@H](C(N)=O)c1ccccc1CCc1nc(Nc2cncnc2)ncc1Cl 211023148 INJXBWVPVJXXSO-LBPRGKRZSA-N 382.855 3.038 0 1 GGAF COCCn1c(-c2cccc(O)c2)nc2c(NCc3ccccc3)ncnc21 82178261 IVEAXLTYZRVQSF-UHFFFAOYSA-N 375.432 3.457 0 1 GGAF CCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@H](c1ccccc1)CN2 82224397 XXHHIXZYARCZEA-SFHVURJKSA-N 382.508 3.427 0 1 GGAF Cc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(N)=O)co1 82071566 VYFMAAUCJSDZSS-GOSISDBHSA-N 395.484 3.167 0 1 GGAF C[C@@H]1CCC[C@H](NC(=O)C[C@H](C(=O)N2CCc3ccccc32)n2ccnc2)[C@@H]1C 248151089 JYEXOCHFKVOWAH-PLOVASNDSA-N 394.519 3.345 0 1 GGAF CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 249838666 RQFWPUMZXCDQRH-HBUWYVDXSA-N 384.517 3.411 0 1 GGAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(/C=C\I)cc1)N2 253638138 GZWPHROGQGOESZ-KTILCMFKSA-N 397.256 3.489 0 1 GGAF CCOC(=O)[C@@H](C)Oc1ccc([C@H]2NC(=S)N=C(C)/C2=C(\O)OCC)cc1 621475179 OGRVEOPDZQGRKM-FUEZOINRSA-N 392.477 3.213 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cccc(F)c12 587738274 MHXYTLVRTZUSJA-RBHXEPJQSA-N 379.204 3.457 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1cn(CCC(N)=O)c4ccccc14)[C@@H](C2)C3=O 587430405 HOPPUSRZKRITSG-NYHFZMIOSA-N 376.412 3.014 0 1 GGAF CCn1ncc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c(Cl)c1=O 587868354 LIFNRTYKUTXZMT-UHFFFAOYSA-N 399.760 3.192 0 1 GGAF CN(c1ccc(-c2csc(CCN3CCCCC3)n2)cc1)S(C)(=O)=O 587923633 BOAMGVJPSDKFCN-UHFFFAOYSA-N 379.551 3.234 0 1 GGAF CCS(=O)(=O)c1ccccc1-c1nc2c(C)c(Br)cnc2[nH]1 586921963 IVABTPNOVPOMRQ-UHFFFAOYSA-N 380.267 3.489 0 1 GGAF N[C@H](N=O)c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587161482 OJJDFKBAKOFHFO-MRXNPFEDSA-N 385.790 3.386 0 1 GGAF O=C(NCCc1nc2ccnc(Br)c2[nH]1)OCc1ccccc1 587227923 BLGGFVXQJHJCAB-UHFFFAOYSA-N 375.226 3.189 0 1 GGAF COC1(OC)CCOC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587359509 RURNMPJDNNGDLF-AZUAARDMSA-N 388.391 3.038 0 1 GGAF CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc21 587572032 QJHPKNDQYZAGQM-XMSQKQJNSA-N 391.354 3.365 0 1 GGAF CN1CCC[C@@H]1[C@@H]1CCCC[C@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963226309 LJSWEPOHGSORIH-HWLQVEPHSA-N 379.504 3.313 0 1 GGAF CCOC(=O)[C@]1(c2ccsc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962761940 IJFJAMBWGIBAQK-RHSMWYFYSA-N 383.391 3.201 0 1 GGAF CN1CCc2cn(C)nc2[C@@H]1[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 963954518 LJFBJVKEJNYUSK-QUCCMNQESA-N 382.508 3.311 0 1 GGAF O=C1COc2ccc(CNC(=O)c3cc(-c4cccc5ccccc45)[nH]n3)cc2N1 1772578587 YMIVFUOFVICHHC-UHFFFAOYSA-N 398.422 3.491 0 1 GGAF CN1CCC(OC(=O)[C@@](O)(c2ccccc2)c2cccc3c2OC(C)(C)C3)CC1 5741707 RQMRNZXYQULMBL-XMMPIXPASA-N 395.499 3.273 0 1 GGAF c1cnc(-n2cccc2CN2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)nc1 12306624 XRPWSSFFWDZDBF-KRWDZBQOSA-N 377.448 3.073 0 1 GGAF Cc1cc(NC(=O)[C@](C)(O)C(F)(F)F)ccc1S(=O)(=O)c1ccccc1 13760169 SJEPCZDBIROJSP-INIZCTEOSA-N 387.379 3.080 0 1 GGAF O=C(c1ccc(OCCCN2C[C@@H]3C[C@H]2CN3C(=O)c2ccco2)cc1)C1CC1 13859907 CEIWOAFDGZPVTP-OALUTQOASA-N 394.471 3.240 0 1 GGAF Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC[C@@H](O)C1 205244686 FGJZMEQZWBNSNY-MRXNPFEDSA-N 386.459 3.351 0 1 GGAF N[C@H](CCc1ccccc1)c1csc(Nc2cc(NCCCO)ncn2)n1 1857597308 LZPWYQABGPMMFC-OAHLLOKOSA-N 384.509 3.104 0 1 GGAF C[C@H](CO[N+](=O)[O-])C[C@@]12CC3CC(N)(C1)C[C@@](C[C@H](C)CO[N+](=O)[O-])(C3)C2 1857656217 QNZPCORZIYZMEK-AHRTWPOZSA-N 385.461 3.123 0 1 GGAF C[C@]1(O)CCN(C(=O)C2CCC2)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CCCC1 2356289717 YFQWYUMXEBXMGV-MZKRTTBSSA-N 384.520 3.186 0 1 GGAF CCCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O 3933818 LULDMUCKTFCMAU-UHFFFAOYSA-N 386.379 3.292 0 1 GGAF COC(=O)C1=NN2c3ccccc3CN([C@@H](C)c3ccccc3)C(=O)[C@H]2[C@@H]1C 6040255 ZKZMFKCVXXRLTK-QEEYODRMSA-N 377.444 3.144 0 1 GGAF CC(=O)c1ccc(COc2ccc(Cc3nnn[nH]3)cc2)c(CC(C)C)c1O 28006265 LMIDOCUHJVWTNG-UHFFFAOYSA-N 380.448 3.476 0 1 GGAF Cc1ccc(N2C(=O)c3ccccc3[C@]2(O)c2ccc3c(c2)NC(=O)CO3)cc1 117131489 LGGRHPOWHSUTQV-HSZRJFAPSA-N 386.407 3.180 0 1 GGAF COCCCC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 33955069 KEJJEEMSWMJCHB-BDKFZLQASA-N 396.524 3.124 0 1 GGAF Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCCC5(CC5)C4)ccc23)cn1 221618462 GFNAVKBTBBEYIJ-UHFFFAOYSA-N 375.476 3.110 0 1 GGAF Cc1cc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)ccn1 96282539 XZWSKIZJBIWMFK-UHFFFAOYSA-N 379.445 3.247 0 1 GGAF O=C(Nc1cn(-c2ccccn2)cn1)c1nc(C2CC2)ccc1Nc1cncnc1 96167421 JMMDOYBDVAHWLZ-UHFFFAOYSA-N 398.430 3.326 0 1 GGAF COC[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2ccc(OC)c(OC)c2)no1 621431144 RQDPVPALXAEESR-QGZVFWFLSA-N 396.443 3.346 0 1 GGAF OCc1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 586894991 JVBGHXQPVPBARY-UHFFFAOYSA-N 385.592 3.375 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4noc(C)n4)cc1)[C@@H](C2)C3=O 587439455 VWUIFBNGURHXSM-HRAATJIYSA-N 378.384 3.454 0 1 GGAF COC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2ccc(S(C)(=O)=O)cc12 587649692 SDTUMQWPFWJBKT-UHFFFAOYSA-N 391.832 3.248 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)nnn3C)N1 587757711 HNMNTMGWJIZLSS-XYZCENFISA-N 375.245 3.494 0 1 GGAF CCS(=O)(=O)c1ccc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2c1 587951944 KIUSNSSRUCJXIT-WLYUNCDWSA-N 380.510 3.434 0 1 GGAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cncnc4[nH]3)cc2)cc1F 587147257 IPHCRTZBAGZBTJ-UHFFFAOYSA-N 375.407 3.500 0 1 GGAF COc1cc2c3c(c1)OC1(CCN(C(=O)c4cccnc4Cl)CC1)[C@@H](C2)C3=O 587420519 KUKBOMPWWJDNFR-HNNXBMFYSA-N 398.846 3.166 0 1 GGAF CCOC(=O)c1sc(SC)c2c1CCc1cc3c(O)nc(O)nc3nc1-2 587563085 CWFLMKIHDBUBEF-UHFFFAOYSA-N 389.458 3.162 0 1 GGAF COC1([C@@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)CCOCC1 963167126 DNJMMKDDLYKXCY-UONOGXRCSA-N 393.789 3.194 0 1 GGAF CC(C)(C)OC(=O)N[C@H]1COc2ccccc2[C@@]12NCCc1ccc(O)cc12 963354362 WTSRNXRYPYTYLQ-UGKGYDQZSA-N 382.460 3.067 0 1 GGAF CCCc1c(COc2ccc(CCc3nn[nH]n3)cc2)ccc(C(C)=O)c1O 5844327 HEPNHAYVEMEOKU-UHFFFAOYSA-N 380.448 3.425 0 1 GGAF Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CC1CC1 13609663 USIVLCULIVXHKY-FQEVSTJZSA-N 393.462 3.235 0 1 GGAF Clc1cccc(N2CCN(CCCCN3C[C@H]4CCCCN4C3)CC2)c1 19332336 LFWNCOWKJQWIJF-OAQYLSRUSA-N 376.976 3.370 0 1 GGAF O=C(Nc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c(Cl)c1)c1ccccn1 166161489 LJUABYFUJVRUSJ-KZBLUPIWSA-N 393.830 3.299 0 1 GGAF N#Cc1cccc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)c1 168068823 XMLYYZVUKWYDDG-UHFFFAOYSA-N 376.391 3.129 0 1 GGAF CN(c1ncc(Cl)cn1)[C@@H]1CCc2c(CC(=O)O)c3ccc(F)cc3n2C1 203541108 VFONLEVPAJMEOE-CYBMUJFWSA-N 388.830 3.302 0 1 GGAF CC(C)n1nc(-c2ccc3oc(=N)[nH]c3c2)c2c(C(F)(F)F)[nH]c(=N)nc21 1857573495 CREODQUBUNFTFH-UHFFFAOYSA-N 377.330 3.059 0 1 GGAF O=C(Nc1cccc(NC(=O)[C@@H]2CCCN2)c1)c1ccccc1Br 1857593017 CQKLFLZAKLBGNH-INIZCTEOSA-N 388.265 3.392 0 1 GGAF Cc1cc(O)nc(-n2ncc(C(=O)N3CCC(C(F)(F)F)CC3)c2C(C)C)n1 1857598022 LMZZGXSPMCYLBK-UHFFFAOYSA-N 397.401 3.214 0 1 GGAF C[C@@H](C(=O)N1CCc2cc(-c3nn(C)c4ncnc(N)c34)ccc21)c1ccccc1 1857766479 SEZXGHUWWXZDBC-CQSZACIVSA-N 398.470 3.305 0 1 GGAF O=C1CNc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2N1 1653931 YSJLCPUIDYYOJP-UHFFFAOYSA-N 376.382 3.396 0 1 GGAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N1CCOCC1 4154037 VRVBWJDQFRSYSY-HKUYNNGSSA-N 386.473 3.097 0 1 GGAF O=C(CSc1n[nH]c2c3cc(F)ccc3nc-2n1)NCc1ccc(F)cc1 101791153 JPUWSXPDTLNQGO-UHFFFAOYSA-N 385.399 3.144 0 1 GGAF CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@@H]2CC3C[C@@H]1CC(C(N)=O)(C3)C2 100387750 DMVIIJMQXBNBLF-SKEQJSMHSA-N 390.911 3.294 0 1 GGAF CNC[C@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl 103213851 LZEQJWFHDBXOGN-SFHVURJKSA-N 393.274 3.484 0 1 GGAF CCCCOC(=O)C(=O)Nc1nc(-c2ccc(C(=O)OCC)cc2)cs1 40503893 OZNHLVBIFJQYBG-UHFFFAOYSA-N 376.434 3.269 0 1 GGAF O=C1C[C@@H](CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2ncncc21 45288643 ZOGCPCPBHXLAHX-ZDUSSCGKSA-N 380.423 3.382 0 1 GGAF Cn1nc(CCC(=O)Nc2ccccc2C(=O)O)c2c1-c1ccc(O)cc1CC2 40939835 NZGZNXDKXJRISB-UHFFFAOYSA-N 391.427 3.161 0 1 GGAF CCCCc1nc2ccc(C(=O)NCc3ccc(F)cc3)c(OC)c2c(=O)n1C 84710813 PLJCPMHAHSWBMT-UHFFFAOYSA-N 397.450 3.354 0 1 GGAF O=C1CN=C(n2cnc(-c3cnco3)c2)C=C2c3cccc(C4CC4)c3CCN12 149221184 DQODIDHZGUYRPC-UHFFFAOYSA-N 385.427 3.102 0 1 GGAF O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncccn1)CC2 96285059 WNAFZMXHGYEVGT-UHFFFAOYSA-N 375.476 3.367 0 1 GGAF CCCOc1cnc(C(=O)Nc2cccc([C@]3(C)CCSC(N)=N3)c2)cn1 147643847 PTUPJCRZTUKAKL-IBGZPJMESA-N 385.493 3.185 0 1 GGAF O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cc(F)cc(F)c1 263590620 CQHSQTGCTWFZLF-MBZVMHRFSA-N 388.414 3.271 0 3 GGAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCc2ccccc21)c1ccccc1 43527562 DVBPPQUYOBVCHW-YPAWHYETSA-N 375.516 3.190 0 1 GGAF biogenic O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2cccnc2)[C@H]1c1ccc(F)cc1 587337667 MGXVINYTMVTYNS-GHTZIAJQSA-N 379.343 3.265 0 1 GGAF CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4cccc5c4c(c3[C@@H]2[C@@H]1C(=O)O)CC5 587213169 UDUXBCLDGLNSEM-OEPMTFCVSA-N 380.444 3.293 0 1 GGAF CC(=O)N[C@@H](Cc1nc2ccc(OCCN(C)C)cc2[nH]1)c1ccc(C)cc1 587216997 SDTFYIHNKYNHFW-FQEVSTJZSA-N 380.492 3.232 0 1 GGAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c(O)ncnc3[nH]2)c1 587147778 RGJCYXLRULDZAE-UHFFFAOYSA-N 380.335 3.238 0 1 GGAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587108578 CLIAYVQILVTNHZ-UHFFFAOYSA-N 386.307 3.194 0 1 GGAF COC(=O)c1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587853856 OFXBSSXUVCMHCR-UHLUBPPHSA-N 385.258 3.455 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3nn[nH]n3)cc2)N1 587796566 PNZKPQNALNZNFL-JDNHERCYSA-N 388.244 3.392 0 1 GGAF c1ccc(C[C@H]2N[C@H](c3nc4ccc(CN5CCOCC5)cc4[nH]3)CS2)cc1 587040913 JKUPRANWAIUVLY-SFTDATJTSA-N 394.544 3.341 0 1 GGAF COc1ccc([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1N 962647922 VBECNVKQNHDWMJ-KNQAVFIVSA-N 377.444 3.014 0 1 GGAF COc1ccc(-c2n[nH]c3c2-c2cc(OC)c(OC)c(OC)c2CC3)cc1N 1857573423 ZKJUTSIXVPHUKY-UHFFFAOYSA-N 381.432 3.459 0 1 GGAF CS(=O)(=O)c1ccc2c(c1)CC[C@@H]([C@H]1c3ccccc3-c3cncn31)[C@@H]2O 1857592336 SPNPSWWBNNKCPN-CEWLAPEOSA-N 380.469 3.152 0 1 GGAF O=C(NC1CCC1)c1sc(N2CCOCC2)cc1OCCc1ccccc1 1857753634 HEUYLFSZRPWNID-UHFFFAOYSA-N 386.517 3.489 0 1 GGAF CN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(Cc3ccc(F)cc3)c2n1 4238972 NEAKYDOWUBHCED-UHFFFAOYSA-N 393.397 3.246 0 1 GGAF COc1ccc(C(=O)c2c3n(c4ccccc24)C[C@H](N2CCOCC2)C3)cc1 13447485 XZAHMWRMOCOQHB-QGZVFWFLSA-N 376.456 3.138 0 1 GGAF CCCC[C@H](NC(=O)OCC1(CC)CCCC1)C(=O)C(=O)Nc1ccnn1C 13583788 KWMVFHGFXNTEQJ-HNNXBMFYSA-N 392.500 3.183 0 1 GGAF C[C@H]1CC[C@@H]2C(=O)N3CCC[C@H]3C(=O)N2[C@@H]1c1ccc(Br)cc1 13782976 OPKHASDRVSLFHV-KSYCFECVSA-N 377.282 3.122 0 1 GGAF O=C(O)[C@H](CCCCn1cnc2c1NC=NC[C@H]2O)Cc1ccc(Cl)cc1 13807320 OMOZKOPPDRRUQY-GDBMZVCRSA-N 390.871 3.138 0 1 GGAF COc1ccc(OC)c([C@H]2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)c1 15785507 KFELAUKCIAPRDD-HNNXBMFYSA-N 378.432 3.119 0 1 GGAF COc1ccc2c(c1)C[C@H](C(=O)O)N2C(=O)[C@H](C)CSC(=O)c1ccccc1 27319271 OTMYNJIFQALLAX-FZKQIMNGSA-N 399.468 3.247 0 1 GGAF Cc1c(CCO)sc[n+]1CCCCCCCC[n+]1csc(CCO)c1C 28520377 GJJSXJZOKIALDL-UHFFFAOYSA-N 398.638 3.112 0 1 GGAF Cc1ccc(C2(O)CCN([C@H](C)[C@@H](O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1 28952099 DSRUIFDXWAYHHS-UZUQRXQVSA-N 394.515 3.285 0 1 GGAF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCc1ccco1 82069938 PBERWAWOIQFLSN-KRWDZBQOSA-N 383.473 3.474 0 1 GGAF CCOc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1OC 95583853 JVSPYMKJEILMOF-DLBZAZTESA-N 386.444 3.383 0 1 GGAF COc1c(F)cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)cc1F 141845182 GWIAFYCLLASSNP-LLVKDONJSA-N 385.370 3.099 0 1 GGAF O=C(NCCCCCCNC(=O)N1Cc2ccccc2C1)c1cccc(O)c1 167296388 DSNGLGMEKHSQFK-UHFFFAOYSA-N 381.476 3.408 0 1 GGAF COc1ccccc1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](NC(C)=O)CC1 253634558 DXHXJHUSVHQWQI-OKDJAKQTSA-N 380.488 3.442 0 1 GGAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587118686 UIUNANCTKYOHFC-UHFFFAOYSA-N 389.131 3.443 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@H](C(=O)O)c3ccccc3)CC1)O2 587392741 CSJOVLBYWLHUMC-IBGZPJMESA-N 380.444 3.203 0 1 GGAF CCOC(=O)C[C@]1(c2cc(OC)cc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587397805 BJQSOMJKYBLOCQ-QFIPXVFZSA-N 399.443 3.408 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3c(c2)ncn3C)N1 587759115 SJGRVLGANBJMFY-FVMDXXJSSA-N 375.245 3.494 0 1 GGAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc([C@H]4C[C@H]4C(=O)OC)cc3)nc2c1 587785375 NTNAYYYKLLLHTQ-HZPDHXFCSA-N 384.457 3.300 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCO)(c2ccc(O)cc2)N1 587827384 NQWSJNWAMWHILF-VOJFVSQTSA-N 380.257 3.454 0 1 GGAF Nc1ccccc1[C@@]1(c2ccccc2C(=O)O)NCCc2nc3ccccn3c21 962984888 OKINDBAXFPKLGE-HSZRJFAPSA-N 384.439 3.052 0 1 GGAF Cc1nn(Cc2ccc(-c3nc4cnccc4[nH]3)cc2F)c(C)c1CC(=O)O 1772645459 GCZDZNZUSYKPLZ-UHFFFAOYSA-N 379.395 3.253 0 1 GGAF CO[C@@H]1OC(=O)C(Br)=C1Nc1ccc(-c2ccc(N)cc2)cc1 1857641173 UTWQQZPGPWQQMP-QGZVFWFLSA-N 375.222 3.484 0 1 GGAF N#CN=[S@@](=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccccn1 1911585971 GDAHMFIDUIIGMC-HHHXNRCGSA-N 381.461 3.104 0 1 GGAF CC(=O)OCC(=O)[C@@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356611578 BNKAAQVNYUWGCV-KBOVCKPBSA-N 392.536 3.253 0 1 GGAF CO[C@]12C[C@@H]3C(=O)CC[C@H](C)[C@@]3(C)[C@H](OC(=O)C=C(C)C)C1=C(C)C(=O)O2 2356860237 UDAQXTOMMRTMKH-DSOLWFKFSA-N 376.449 3.106 0 1 GGAF O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl 4206691 QNMMYHUVXXXBJI-NVXWUHKLSA-N 397.233 3.333 0 1 GGAF c1cncc(-c2ccc([C@@H]3[C@H]4CN(Cc5ccc6c(c5)OCO6)C[C@@H]3N4)cc2)c1 100109194 WBGXRZPLVSELSO-RUMRUAAYSA-N 385.467 3.417 0 1 GGAF C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 101768207 PTBFHBJQEHQNOR-RGCMKSIDSA-N 384.929 3.145 0 1 GGAF C[C@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCN1CCc1ccccc1 61926914 BXBAKCLOEFRMHB-RUZDIDTESA-N 391.559 3.474 0 3 GGAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](CC4=CN[C](N)C=C4)C3)CC[C@H]1[C@@](N)(CCO)C2 2356816046 XNNHYAGAUNVFAL-PPDJZNBDSA-N 388.576 3.102 0 1 GGAF CCC(CC)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OCCO)CN(C)[C@H]1C2 29485831 ZKBHIGHGJUAMPK-BSIFCXSSSA-N 384.520 3.498 0 1 GGAF CCCCC[C@@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 34962005 ZHCWBIFELSAWPF-XYFYYYGJSA-N 381.557 3.406 0 1 GGAF CC(C)(C)c1nc2c(n1CC1CC1)CCN(S(=O)(=O)Cc1ccccc1)C2 43020620 BBEXYVAMUCGJGZ-UHFFFAOYSA-N 387.549 3.479 0 1 GGAF O=C(CCCCN1CCN(c2ncccn2)CC1)c1nc2ccccc2s1 84714702 DYFDYWXRTZSUEM-UHFFFAOYSA-N 381.505 3.262 0 1 GGAF COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)C1CC1)[C@@H](CO)N2 95877421 OAOJJUGVVMEONK-NQSCKRDGSA-N 378.472 3.448 0 1 GGAF CCOC(=O)c1cc(C(=O)c2ccc(OC)c(OC)c2)n2ccc(OC)cc12 299826736 MRSLCRKHNRHWOB-UHFFFAOYSA-N 383.400 3.373 0 1 GGAF CC1=C(C(N)=O)[C@@H](C2CCCCC2)N2NC(SCc3ccccc3)=NC2=N1 473136031 NAXRESXZRYUSQA-QGZVFWFLSA-N 383.521 3.174 0 1 GGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2S(C)(=O)=O)N1 587845333 AIZKWVJDYBURSF-AKWBHNSASA-N 390.318 3.305 0 1 GGAF Nc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1N 587002186 UXQIQGDNFXOKDX-OWOJBTEDSA-N 387.237 3.431 0 1 GGAF CC(C)C[C@]1(c2ncnn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578977 CFJXTXKJCUCREQ-UTKZUKDTSA-N 379.416 3.424 0 1 GGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586917155 QZZJWAHCUKLUFR-QRWLVFNGSA-N 384.457 3.183 0 1 GGAF CCOC(=O)c1cnc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2c1Cl 587368128 BWKRTCZJSYUHJM-UHFFFAOYSA-N 396.790 3.481 0 1 GGAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1COCCN1C(=O)OC(C)(C)C)CC2=O 587474358 FJKRCTWMWAPWMT-YJBOKZPZSA-N 391.464 3.314 0 1 GGAF COC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n2c(C=O)cccc12 587435464 HCCWSUJNGBQYRE-VFNWGFHPSA-N 391.379 3.036 0 1 GGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1cc(C)cn1 587869661 METIWJMJTDEASR-NSHDSACASA-N 379.342 3.379 0 1 GGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(OC(F)(F)F)cc21 587381867 IGHRBOMRIACTPX-KRWDZBQOSA-N 378.306 3.289 0 1 GGAF CCOC(=O)Cc1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587174327 OHMCUBULVJTCRL-OAQYLSRUSA-N 382.391 3.436 0 1 GGAF Brc1ccc2c(c1)[C@@](c1ccccn1)([C@@H]1CCNC1)NC1(CC1)C2 961610963 CIERHYWFBFTDHQ-FOIQADDNSA-N 384.321 3.376 0 1 GGAF CCN(C(=O)C[C@@]1(C)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21)c1ccccc1C 963492371 QHDSYYDTWQSQJY-FDDCHVKYSA-N 396.487 3.266 0 1 GGAF CC(C)(C)OC(=O)N1[C@@H](CC(=O)C(C)(C)C)c2scnc2C[C@@H]1C(=O)O 963135659 FJZZURUASNHOMU-NWDGAFQWSA-N 382.482 3.436 0 1 GGAF CCOC(=O)C[C@@]1(c2cc(F)c(F)c(F)c2F)NCCc2c(C)ccnc21 963071043 IXKLCLUSDNDEIC-IBGZPJMESA-N 382.357 3.289 0 1 GGAF Cc1cc(-c2cnn(C)c2)cc([C@H]2CCN(C(=O)c3cc(C(C)C)nn3C)C2)n1 1772649869 CLOYPEOSPLNILY-INIZCTEOSA-N 392.507 3.277 0 1 GGAF Cc1cncc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CC4)CC3)c2)c1 1772622246 VHZDPUXZNWBBAB-UHFFFAOYSA-N 392.503 3.133 0 1 GGAF Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2ccc3cncn3c2)cc1 1772572133 PNQLQTCPBHMQBA-UHFFFAOYSA-N 385.427 3.099 0 1 GGAF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1cc(OC)cc(OC)c1)[C@H](C)N2 5856314 CHBJYUZNRMSQCX-JTQLQIEISA-N 385.424 3.184 0 1 GGAF Cc1cccc(CN2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)c1 11982459 SGQDRYCLFASLDE-XMMPIXPASA-N 391.515 3.418 0 1 GGAF COc1cc2c(NCCc3ccc4c(c3)OCO4)ncnc2c(OC)c1OC 12360800 MANOKUWUMRUWHK-UHFFFAOYSA-N 383.404 3.039 0 1 GGAF O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1sc(OCC2CC2)nc1C1CC1 169311411 CWEPPYUBHMHVTJ-QVDASSHQSA-N 388.533 3.479 0 1 GGAF CN1C(=O)[C@]2(N=C1N)c1cc(Cl)ccc1CC21CCC(OC(F)F)CC1 201260346 XJNSFXNHQZJLLO-ZZHQXOFYSA-N 383.826 3.046 0 1 GGAF CC(=O)N1CCc2c(c(-c3cccc(C#N)n3)nn2Cc2ccc(F)cc2F)C1 204886193 USRVPCUKKCCDKS-UHFFFAOYSA-N 393.397 3.048 0 1 GGAF COCCN(C)C(=O)C[C@]1(C)N=C(c2cccc(-c3ccccc3)c2)N(C)O1 205207406 GXHWKENJCAFOPI-JOCHJYFZSA-N 381.476 3.188 0 3 GGAF O=C1Nc2c(Br)cccc2C12CCN(c1ccc(Cl)nn1)CC2 1857563418 IRMWOFOUGKTVEK-UHFFFAOYSA-N 393.672 3.383 0 1 GGAF COc1c2c(c(OC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O 146335236 DWHWFPARUZAYDV-UHFFFAOYSA-N 391.379 3.285 0 1 GGAF COc1cc2c(cc1O)[C@@H]1O[C@H](OC)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 15257577 NRJVOXUCVMTVSZ-ZJOUEHCJSA-N 385.416 3.075 0 1 GGAF endogenous,in-man O=C1c2ccccc2N2O[C@]3(N4CCOCC4)CCC[C@@H]3[C@]12c1ccccc1 17218611 BLGLJWCTEAFVSH-MDNUFGMLSA-N 376.456 3.359 0 1 GGAF O=C(/C=C/c1ccccc1)N[C@@H](NC(=S)Nc1ccccn1)C(F)(F)F 28138005 ZQWUMKAJRZQOKV-FEAKQIBJSA-N 380.395 3.086 0 1 GGAF Nc1c(C(=O)c2ccccc2C(F)(F)F)sc2[nH]c(=O)c(C(=O)O)cc12 28902850 GYVDBCDAYVPJMY-UHFFFAOYSA-N 382.319 3.120 0 1 GGAF COCCN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O 34804770 CLNAIMPDNPYUGV-UHFFFAOYSA-N 380.275 3.425 0 1 GGAF in-vitro CC(C)c1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1 34997542 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CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O 299875925 DTKSZSPICJDKHO-MHYXUVESSA-N 398.459 3.190 0 1 GGAF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586906585 DFCDPBNUERRYGZ-SECBINFHSA-N 398.362 3.437 0 1 GGAF CN(Cc1nc2c(F)cnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929602 WRWUUYALHCIZKQ-UHFFFAOYSA-N 389.239 3.225 0 1 GGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc5c(cc4[nH]3)OCO5)cc12 587037573 KIOLQQKKQVBGLG-SECBINFHSA-N 383.433 3.039 0 1 GGAF COC(=O)C[C@@]1(Cc2ccc(F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587385767 PVGNLRLHQDOWLY-HXUWFJFHSA-N 375.371 3.365 0 1 GGAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4nccn4C)cc1)[C@@H](C2)C3=O 587430662 KSJVVYCSHMOVGZ-HTAPYJJXSA-N 376.412 3.496 0 1 GGAF Oc1nc(O)c2cc3c(nc2n1)C=C1CC[C@@H]2C(=C1C3)CC[C@@H]1[C@@H](O)CC[C@@H]21 587561355 PWLCXFLYEUUCSH-NGOJXBLDSA-N 377.444 3.263 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ncccn2)N1 587740622 DOYKYLUHXAWOMQ-QGHHPUGFSA-N 393.260 3.156 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(C(N)=O)c2)N1 587749700 QBSOILMFYSMNPB-LZVRBXCZSA-N 393.256 3.190 0 1 GGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2cnn(C)c2)N1 587764418 PNTVOQWZJZXRJG-BTDLBPIBSA-N 380.261 3.344 0 1 GGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cn2)OCCO3)N1 587779608 USFOCKCZQDWTJY-VVVCHXIZSA-N 379.229 3.378 0 1 GGAF CCOC(=O)[C@@H]1CC[C@]2(CO1)N[C@H](C)Cc1cc(Br)c(F)cc12 587831858 ITSRBFZZWDBDDW-TYFHEEPYSA-N 386.261 3.060 0 1 GGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CS(=O)(=O)c3ccccc32)N1 587848071 ZFUHMXHEJRRGPJ-DYZYQPBXSA-N 396.281 3.153 0 1 GGAF O=C(O)c1cc(S(=O)(=O)NCc2ccc(Cl)cc2)c2ccccc2c1O 653737383 KRLITVFCQFXSTJ-UHFFFAOYSA-N 391.832 3.376 0 1 GGAF COCCOC[C@@]1(C(C)(C)C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962971896 SWRDAKHDXYOGLH-FZKQIMNGSA-N 391.842 3.122 0 1 GGAF Fc1c(Br)ccc2c1NCC[C@]21NCCc2nc3ccccn3c21 962987371 WEQITIHTZPDKCU-SFHVURJKSA-N 387.256 3.441 0 1 GGAF CCOC(=O)C(F)(F)[C@@H]1CCC[C@]2(C1)NC[C@@H]1CC(=O)N(C)c3cccc2c31 963035086 YWGWMOQKKSNIJY-LRDNONRASA-N 392.446 3.324 0 1 GGAF 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